smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(C(=O)c1[nH]cnc1C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573282802	946697151	/nfs/dbraw/zinc/69/71/51/946697151.db2.gz	MGFMBVMHEXVMNP-UHFFFAOYSA-N	0	1	392.427	0.433	20	30		GCEDMN
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573543350	946806029	/nfs/dbraw/zinc/80/60/29/946806029.db2.gz	XPOPRSUIGGRKAJ-SNVBAGLBSA-N	0	1	379.388	0.594	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573287872	946849895	/nfs/dbraw/zinc/84/98/95/946849895.db2.gz	LTLRWJSMXBDKMP-DOMZBBRYSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)nc1	ZINC001573288083	946856359	/nfs/dbraw/zinc/85/63/59/946856359.db2.gz	MXFWUHGKFLONMS-UHFFFAOYSA-N	0	1	375.396	0.386	20	30		GCEDMN
C#Cc1ccc(C(=O)NC2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)nc1	ZINC001573288439	946866419	/nfs/dbraw/zinc/86/64/19/946866419.db2.gz	QLYKPTSIDUHYNJ-UHFFFAOYSA-N	0	1	389.423	0.822	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)c1	ZINC001573290146	946897716	/nfs/dbraw/zinc/89/77/16/946897716.db2.gz	FUFRXQQCTAZURL-CZUORRHYSA-N	0	1	388.435	0.880	20	30		GCEDMN
C#CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1	ZINC001573290276	946900686	/nfs/dbraw/zinc/90/06/86/946900686.db2.gz	VBOSOXYMFGDQLP-CHWSQXEVSA-N	0	1	392.423	0.710	20	30		GCEDMN
C#Cc1cncc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1	ZINC001573291843	946923769	/nfs/dbraw/zinc/92/37/69/946923769.db2.gz	KMMJUQIDSKRMBJ-HNNXBMFYSA-N	0	1	389.423	0.562	20	30		GCEDMN
C#Cc1cncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1	ZINC001573292325	946933391	/nfs/dbraw/zinc/93/33/91/946933391.db2.gz	TZHJPHDYECGEET-BXUZGUMPSA-N	0	1	375.396	0.170	20	30		GCEDMN
C#CC[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)CC(=O)[O-]	ZINC001602701093	971326639	/nfs/dbraw/zinc/32/66/39/971326639.db2.gz	VTUWJRQEUIFMKT-UHFFFAOYSA-N	0	1	393.465	0.820	20	30		GCEDMN
C#CC[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)CC(=O)[O-]	ZINC001602701093	971326643	/nfs/dbraw/zinc/32/66/43/971326643.db2.gz	VTUWJRQEUIFMKT-UHFFFAOYSA-N	0	1	393.465	0.820	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573309128	947190809	/nfs/dbraw/zinc/19/08/09/947190809.db2.gz	CUGRQTPTWDVTNW-RTHLEPHNSA-N	0	1	383.865	0.999	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F	ZINC001573584286	947217135	/nfs/dbraw/zinc/21/71/35/947217135.db2.gz	SQMFRRTZBNRUFV-UWVGGRQHSA-N	0	1	377.359	0.394	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2	ZINC001573310357	947221175	/nfs/dbraw/zinc/22/11/75/947221175.db2.gz	WXHMVMZCUKYMLF-SJKOYZFVSA-N	0	1	384.444	0.459	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1	ZINC001573584470	947223458	/nfs/dbraw/zinc/22/34/58/947223458.db2.gz	WMNDBMOXYLQNNH-IUODEOHRSA-N	0	1	387.419	0.873	20	30		GCEDMN
C=CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O	ZINC001573328001	947402848	/nfs/dbraw/zinc/40/28/48/947402848.db2.gz	PMBWMTMKPJKHQV-IUCAKERBSA-N	0	1	383.865	0.999	20	30		GCEDMN
C=CCCn1cc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)nn1	ZINC001573341544	947534478	/nfs/dbraw/zinc/53/44/78/947534478.db2.gz	NSKXVGJJBFAOAV-UHFFFAOYSA-N	0	1	396.383	0.791	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573350948	947606812	/nfs/dbraw/zinc/60/68/12/947606812.db2.gz	LUZCOVOGQHDNOH-MJBXVCDLSA-N	0	1	384.444	0.675	20	30		GCEDMN
C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573616566	947625225	/nfs/dbraw/zinc/62/52/25/947625225.db2.gz	JIYREXFNJFMLEH-DOMZBBRYSA-N	0	1	392.427	0.628	20	30		GCEDMN
CC#CCCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1	ZINC001573357928	947654750	/nfs/dbraw/zinc/65/47/50/947654750.db2.gz	COLDFNUXZJAYNC-GOSISDBHSA-N	0	1	384.444	0.562	20	30		GCEDMN
CC#CCCCC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573358624	947666649	/nfs/dbraw/zinc/66/66/49/947666649.db2.gz	GFRPWHDJTZNDRR-GOSISDBHSA-N	0	1	384.444	0.038	20	30		GCEDMN
Cc1cccc(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)c3C#N)CC2)c1	ZINC000826299013	947864439	/nfs/dbraw/zinc/86/44/39/947864439.db2.gz	NZNZFVPYRHJPJH-UHFFFAOYSA-N	0	1	377.412	0.592	20	30		GCEDMN
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575889883	949937150	/nfs/dbraw/zinc/93/71/50/949937150.db2.gz	UPDLCNAIDALYIQ-MFKMUULPSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575889882	949937216	/nfs/dbraw/zinc/93/72/16/949937216.db2.gz	UPDLCNAIDALYIQ-GXFFZTMASA-N	0	1	378.400	0.644	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)[C@H](O)C1	ZINC001573854011	950336158	/nfs/dbraw/zinc/33/61/58/950336158.db2.gz	WQFDJWLOMADNMM-GXSJLCMTSA-N	0	1	387.404	0.311	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1	ZINC001571120998	952513106	/nfs/dbraw/zinc/51/31/06/952513106.db2.gz	UHRIQUSLGSJBMS-WCQYABFASA-N	0	1	376.384	0.207	20	30		GCEDMN
C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001571135801	952608957	/nfs/dbraw/zinc/60/89/57/952608957.db2.gz	DXWIOAUZUVUICO-ZYHUDNBSSA-N	0	1	378.400	0.644	20	30		GCEDMN
CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCCn1cnc(-c2nn[nH]n2)n1	ZINC001571161937	952736374	/nfs/dbraw/zinc/73/63/74/952736374.db2.gz	FRRQDECPXPBFTA-UHFFFAOYSA-N	0	1	380.416	0.650	20	30		GCEDMN
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)cn1	ZINC001571235462	953213135	/nfs/dbraw/zinc/21/31/35/953213135.db2.gz	FVVZBXDVLOFNEW-UHFFFAOYSA-N	0	1	384.381	0.757	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593729499	954309328	/nfs/dbraw/zinc/30/93/28/954309328.db2.gz	XOLRMYWDNAEQOT-CMPLNLGQSA-N	0	1	378.351	0.345	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593729499	954309337	/nfs/dbraw/zinc/30/93/37/954309337.db2.gz	XOLRMYWDNAEQOT-CMPLNLGQSA-N	0	1	378.351	0.345	20	30		GCEDMN
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001594602543	956148636	/nfs/dbraw/zinc/14/86/36/956148636.db2.gz	XOXNLUCUPHYRTA-GUYCJALGSA-N	0	1	378.454	0.290	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)CC2)o1	ZINC001594445395	959326565	/nfs/dbraw/zinc/32/65/65/959326565.db2.gz	YJKGMIBFEIZHED-UHFFFAOYSA-N	0	1	377.445	0.936	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)CC2)o1	ZINC001594445395	959326580	/nfs/dbraw/zinc/32/65/80/959326580.db2.gz	YJKGMIBFEIZHED-UHFFFAOYSA-N	0	1	377.445	0.936	20	30		GCEDMN
C=CCOC[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC001573368432	963079925	/nfs/dbraw/zinc/07/99/25/963079925.db2.gz	DZVKLPPHHOWLLO-AWEZNQCLSA-N	0	1	385.461	0.701	20	30		GCEDMN
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)CC1	ZINC001588475636	983508957	/nfs/dbraw/zinc/50/89/57/983508957.db2.gz	FIMNFCACCCXWKD-UHFFFAOYSA-N	0	1	382.438	0.778	20	30		GCEDMN
C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1	ZINC001594514088	985820977	/nfs/dbraw/zinc/82/09/77/985820977.db2.gz	UHUIARSKVZGPOB-GFCCVEGCSA-N	0	1	376.388	0.321	20	30		GCEDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1	ZINC001594514088	985820992	/nfs/dbraw/zinc/82/09/92/985820992.db2.gz	UHUIARSKVZGPOB-GFCCVEGCSA-N	0	1	376.388	0.321	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C(=O)[O-])C1	ZINC001598607327	993689974	/nfs/dbraw/zinc/68/99/74/993689974.db2.gz	PBZXXMJCWGBRST-MELADBBJSA-N	0	1	395.460	0.403	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC001598767807	995852391	/nfs/dbraw/zinc/85/23/91/995852391.db2.gz	YRFWJIIQOYVAKT-YVSFHVDLSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC001598767807	995852400	/nfs/dbraw/zinc/85/24/00/995852400.db2.gz	YRFWJIIQOYVAKT-YVSFHVDLSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC001598774208	995913202	/nfs/dbraw/zinc/91/32/02/995913202.db2.gz	YLGBIBCUTHQLQQ-VYDXJSESSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC001598774208	995913208	/nfs/dbraw/zinc/91/32/08/995913208.db2.gz	YLGBIBCUTHQLQQ-VYDXJSESSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778907	995961157	/nfs/dbraw/zinc/96/11/57/995961157.db2.gz	QEXIHFZOQWBJBR-ZFWWWQNUSA-N	0	1	380.422	0.670	20	30		GCEDMN
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778907	995961159	/nfs/dbraw/zinc/96/11/59/995961159.db2.gz	QEXIHFZOQWBJBR-ZFWWWQNUSA-N	0	1	380.422	0.670	20	30		GCEDMN
Cc1nc(S(=O)(=O)NCCn2cnc(C#N)n2)sc1Br	ZINC000285725268	530124308	/nfs/dbraw/zinc/12/43/08/530124308.db2.gz	UWBWAJWRZRSVRE-UHFFFAOYSA-N	0	1	377.249	0.656	20	30		GCEDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000569355762	530228552	/nfs/dbraw/zinc/22/85/52/530228552.db2.gz	YESPRZKZNNQBDY-CYBMUJFWSA-N	0	1	386.499	0.251	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)c(C)cn1	ZINC000574927646	530328492	/nfs/dbraw/zinc/32/84/92/530328492.db2.gz	QYHBSXHXFSLJCB-AWEZNQCLSA-N	0	1	388.515	0.816	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nnc(SC)s1)c1ccn[nH]1	ZINC000278395151	530340913	/nfs/dbraw/zinc/34/09/13/530340913.db2.gz	VVRBNTCYDNXSBA-YBFXNURJSA-N	0	1	384.443	0.583	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1	ZINC000328681875	530517461	/nfs/dbraw/zinc/51/74/61/530517461.db2.gz	OKQUUOWJSNMWQC-HUUCEWRRSA-N	0	1	376.523	0.271	20	30		GCEDMN
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC(=O)N1CCNCC1	ZINC000563799903	530561200	/nfs/dbraw/zinc/56/12/00/530561200.db2.gz	OKDIXUBJVUNZIH-UHFFFAOYSA-N	0	1	384.889	0.464	20	30		GCEDMN
CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451228753	530575956	/nfs/dbraw/zinc/57/59/56/530575956.db2.gz	NZOGULDUMUQOFG-UHFFFAOYSA-N	0	1	389.905	0.967	20	30		GCEDMN
C=CCn1c(SCC(=O)NCc2ccc(S(C)(=O)=O)cc2)n[nH]c1=O	ZINC000470822684	530696945	/nfs/dbraw/zinc/69/69/45/530696945.db2.gz	LOWZPOXJXJXRHE-UHFFFAOYSA-N	0	1	382.467	0.982	20	30		GCEDMN
C=CCN1C(=O)N=NC1S[C@@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)C(C)C	ZINC000470829669	530697118	/nfs/dbraw/zinc/69/71/18/530697118.db2.gz	DTEBKJXOGUXHPG-IAQYHMDHSA-N	0	1	388.515	0.980	20	30		GCEDMN
C=CCN1C(=O)N=NC1S[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(C)C	ZINC000470829647	530697459	/nfs/dbraw/zinc/69/74/59/530697459.db2.gz	DTEBKJXOGUXHPG-ABAIWWIYSA-N	0	1	388.515	0.980	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)ncc1C	ZINC000579494456	530743816	/nfs/dbraw/zinc/74/38/16/530743816.db2.gz	OZGBVMGUVDLPAF-UHFFFAOYSA-N	0	1	387.527	0.927	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCN(C)C)cc1	ZINC000579732234	530746688	/nfs/dbraw/zinc/74/66/88/530746688.db2.gz	SFZPTVCFOYDFPU-ZDUSSCGKSA-N	0	1	388.515	0.401	20	30		GCEDMN
CN(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N	ZINC000579972825	530749523	/nfs/dbraw/zinc/74/95/23/530749523.db2.gz	LHWGKONTYOIPNV-UHFFFAOYSA-N	0	1	388.515	0.449	20	30		GCEDMN
N#CC1CCC(CNS(=O)(=O)CCCS(=O)(=O)Nc2cnc[nH]2)CC1	ZINC000581953993	530769554	/nfs/dbraw/zinc/76/95/54/530769554.db2.gz	GDNTUTVRIWNEIG-UHFFFAOYSA-N	0	1	389.503	0.791	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)NCc2ccccc2S(N)(=O)=O)c(F)c1	ZINC000553571790	530802703	/nfs/dbraw/zinc/80/27/03/530802703.db2.gz	KIEYNTVBESRNIJ-UHFFFAOYSA-N	0	1	387.389	0.962	20	30		GCEDMN
N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)cc1Br	ZINC000600099318	530821064	/nfs/dbraw/zinc/82/10/64/530821064.db2.gz	LPKQRRCMCQRIMP-LBPRGKRZSA-N	0	1	381.230	0.442	20	30		GCEDMN
N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)cc1Br	ZINC000600070568	530821363	/nfs/dbraw/zinc/82/13/63/530821363.db2.gz	LPKQRRCMCQRIMP-GFCCVEGCSA-N	0	1	381.230	0.442	20	30		GCEDMN
CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1	ZINC000349534403	530899521	/nfs/dbraw/zinc/89/95/21/530899521.db2.gz	SPBLCWAMJHFOFE-UHFFFAOYSA-N	0	1	394.563	0.298	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)ccn1	ZINC000349547826	530902884	/nfs/dbraw/zinc/90/28/84/530902884.db2.gz	VQTOJXTZDDYUAE-UHFFFAOYSA-N	0	1	386.499	0.557	20	30		GCEDMN
Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n1	ZINC000349599008	530908713	/nfs/dbraw/zinc/90/87/13/530908713.db2.gz	AKBVJBOCDMFNTO-ZDUSSCGKSA-N	0	1	393.466	0.209	20	30		GCEDMN
Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n1	ZINC000349599005	530908797	/nfs/dbraw/zinc/90/87/97/530908797.db2.gz	AKBVJBOCDMFNTO-CYBMUJFWSA-N	0	1	393.466	0.209	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)c1C	ZINC000349503001	530883720	/nfs/dbraw/zinc/88/37/20/530883720.db2.gz	RTHOFLKKDRZWEP-CYBMUJFWSA-N	0	1	393.466	0.426	20	30		GCEDMN
CN(C)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1	ZINC000349469972	530891178	/nfs/dbraw/zinc/89/11/78/530891178.db2.gz	LUEYTEGABHEINE-UHFFFAOYSA-N	0	1	386.499	0.203	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)NC1CCCC1	ZINC000349573485	530892441	/nfs/dbraw/zinc/89/24/41/530892441.db2.gz	KBMRGUQRFNENMU-UHFFFAOYSA-N	0	1	389.503	0.768	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467153683	530914335	/nfs/dbraw/zinc/91/43/35/530914335.db2.gz	VTGTYQLADWLLNI-MFKMUULPSA-N	0	1	393.437	0.833	20	30		GCEDMN
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C	ZINC000520997359	530963290	/nfs/dbraw/zinc/96/32/90/530963290.db2.gz	JFHGODRQVDYKTA-CQSZACIVSA-N	0	1	376.523	0.918	20	30		GCEDMN
CCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1	ZINC000564349923	531116026	/nfs/dbraw/zinc/11/60/26/531116026.db2.gz	QJEUFIYKRUQPCA-UHFFFAOYSA-N	0	1	386.499	0.251	20	30		GCEDMN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1	ZINC000830059742	601172254	/nfs/dbraw/zinc/17/22/54/601172254.db2.gz	KXHSTELDROWILA-CYBMUJFWSA-N	0	1	388.424	0.903	20	30		GCEDMN
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499687	601664521	/nfs/dbraw/zinc/66/45/21/601664521.db2.gz	FSHAPYQYRMTYJY-GOEBONIOSA-N	0	1	397.435	0.997	20	30		GCEDMN
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499687	601664522	/nfs/dbraw/zinc/66/45/22/601664522.db2.gz	FSHAPYQYRMTYJY-GOEBONIOSA-N	0	1	397.435	0.997	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)CC2)o1	ZINC000832994035	604743595	/nfs/dbraw/zinc/74/35/95/604743595.db2.gz	FOZKNZQDHAJASO-GFCCVEGCSA-N	0	1	375.429	0.688	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)CC1	ZINC000833467193	605043245	/nfs/dbraw/zinc/04/32/45/605043245.db2.gz	SQSYLYIDVWVWAJ-QGZVFWFLSA-N	0	1	380.489	0.634	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c1	ZINC000833364211	605113441	/nfs/dbraw/zinc/11/34/41/605113441.db2.gz	LMEXKJVTBFWZQA-CQSZACIVSA-N	0	1	393.465	0.219	20	30		GCEDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000833626611	605206712	/nfs/dbraw/zinc/20/67/12/605206712.db2.gz	QHRREGGUYZWGRD-CYBMUJFWSA-N	0	1	382.424	0.947	20	30		GCEDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000833626613	605206835	/nfs/dbraw/zinc/20/68/35/605206835.db2.gz	QHRREGGUYZWGRD-ZDUSSCGKSA-N	0	1	382.424	0.947	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)cc1	ZINC000833364338	605250774	/nfs/dbraw/zinc/25/07/74/605250774.db2.gz	OUFKFERMQMBUTP-CQSZACIVSA-N	0	1	393.465	0.219	20	30		GCEDMN
CCOC(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1C#N	ZINC000825532518	607761064	/nfs/dbraw/zinc/76/10/64/607761064.db2.gz	SVNYJBXKRVTUEW-UHFFFAOYSA-N	0	1	382.344	0.537	20	30		GCEDMN
COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C(=O)[O-])C1	ZINC000833709161	605692723	/nfs/dbraw/zinc/69/27/23/605692723.db2.gz	RBZCTFAATBFUAT-INMHGKMJSA-N	0	1	376.409	0.831	20	30		GCEDMN
Cn1cc(C#N)cc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000822665356	606278878	/nfs/dbraw/zinc/27/88/78/606278878.db2.gz	OOLISYMTBLICDC-UHFFFAOYSA-N	0	1	393.411	0.905	20	30		GCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857875	606699205	/nfs/dbraw/zinc/69/92/05/606699205.db2.gz	WIJYKYOKAKCKGO-DIFFPNOSSA-N	0	1	388.480	0.479	20	30		GCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857875	606699208	/nfs/dbraw/zinc/69/92/08/606699208.db2.gz	WIJYKYOKAKCKGO-DIFFPNOSSA-N	0	1	388.480	0.479	20	30		GCEDMN
CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1OC	ZINC000820842630	607216492	/nfs/dbraw/zinc/21/64/92/607216492.db2.gz	OZQBAJMKEWWWAE-LBPRGKRZSA-N	0	1	397.399	0.464	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(C[C@H](C)C#N)C3CC3)CC2)o1	ZINC000826322774	607831997	/nfs/dbraw/zinc/83/19/97/607831997.db2.gz	AYSSYNGRIORISW-GFCCVEGCSA-N	0	1	399.459	0.436	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(C#N)c2)c1-c1nnn[n-]1	ZINC000826077773	608022252	/nfs/dbraw/zinc/02/22/52/608022252.db2.gz	VHZQVOMBPCSBJJ-UHFFFAOYSA-N	0	1	381.400	0.631	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(C#N)c2)c1-c1nn[n-]n1	ZINC000826077773	608022253	/nfs/dbraw/zinc/02/22/53/608022253.db2.gz	VHZQVOMBPCSBJJ-UHFFFAOYSA-N	0	1	381.400	0.631	20	30		GCEDMN
CN(C)CC#CCNC(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000913516836	639581658	/nfs/dbraw/zinc/58/16/58/639581658.db2.gz	IFAUIEJVAGVIKN-UHFFFAOYSA-N	0	1	380.242	0.856	20	30		GCEDMN
CSc1n[nH]c(NC(=O)C[C@@H](C)N=C2NS(=O)(=O)c3ccccc32)n1	ZINC000742602744	640247873	/nfs/dbraw/zinc/24/78/73/640247873.db2.gz	WUOBFVRUDDSBFT-MRVPVSSYSA-N	0	1	380.455	0.982	20	30		GCEDMN
Cc1cc(Cl)cc(C)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000756895477	640497091	/nfs/dbraw/zinc/49/70/91/640497091.db2.gz	PAZLCECVPDGONP-UHFFFAOYSA-N	0	1	384.845	0.667	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cc3ccccc3s2)c(=O)n(C)c1=O	ZINC000771889834	640835176	/nfs/dbraw/zinc/83/51/76/640835176.db2.gz	BPQBMPKVPUYWKZ-UHFFFAOYSA-N	0	1	378.435	0.611	20	30		GCEDMN
C=C(Cl)C[C@@H](N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000876601568	641567766	/nfs/dbraw/zinc/56/77/66/641567766.db2.gz	AWAJYRDPLGCQLD-CYBMUJFWSA-N	0	1	382.873	0.750	20	30		GCEDMN
C=C(Br)CNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1	ZINC000883213673	641750619	/nfs/dbraw/zinc/75/06/19/641750619.db2.gz	NFNCYPXRCSSINW-AWEZNQCLSA-N	0	1	375.311	0.991	20	30		GCEDMN
C[N@H+](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCSC1	ZINC000816126807	641844130	/nfs/dbraw/zinc/84/41/30/641844130.db2.gz	UUPQOKWUQNJOJS-LBPRGKRZSA-N	0	1	384.439	0.709	20	30		GCEDMN
C[N@@H+](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCSC1	ZINC000816126807	641844142	/nfs/dbraw/zinc/84/41/42/641844142.db2.gz	UUPQOKWUQNJOJS-LBPRGKRZSA-N	0	1	384.439	0.709	20	30		GCEDMN
C#CCSCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000819093030	641928428	/nfs/dbraw/zinc/92/84/28/641928428.db2.gz	IRKLWYDUQLXITQ-UHFFFAOYSA-N	0	1	390.552	0.667	20	30		GCEDMN
C#CCSCCNC(=O)c1cc(=O)cc(C(=O)NCCSCC#C)[nH]1	ZINC000933340515	642016788	/nfs/dbraw/zinc/01/67/88/642016788.db2.gz	KYMVBEBECOTYTK-UHFFFAOYSA-N	0	1	377.491	0.567	20	30		GCEDMN
N#Cc1c(Br)cccc1OCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000825765631	642052383	/nfs/dbraw/zinc/05/23/83/642052383.db2.gz	ZLMLJSKGEGJAOM-GFCCVEGCSA-N	0	1	393.201	0.813	20	30		GCEDMN
C=C(Br)CNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1	ZINC000803524987	642182738	/nfs/dbraw/zinc/18/27/38/642182738.db2.gz	ZKRMEHVYMZMTPY-UHFFFAOYSA-N	0	1	396.289	0.474	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br	ZINC000834488560	642212948	/nfs/dbraw/zinc/21/29/48/642212948.db2.gz	DNGNVPGXJZFXII-NOZJJQNGSA-N	0	1	383.221	0.936	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc2ncc(I)n2c1	ZINC000834480506	642212955	/nfs/dbraw/zinc/21/29/55/642212955.db2.gz	RCIZLQGZJIDKRG-UWVGGRQHSA-N	0	1	381.177	0.780	20	30		GCEDMN
C#CCCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1	ZINC000840951650	642289242	/nfs/dbraw/zinc/28/92/42/642289242.db2.gz	DHXDUYNXQRIZAI-UHFFFAOYSA-N	0	1	385.511	0.361	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O	ZINC000843464010	642371078	/nfs/dbraw/zinc/37/10/78/642371078.db2.gz	YXBBZMORUHFDCB-ZANVPECISA-N	0	1	391.225	0.663	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848959747	642578609	/nfs/dbraw/zinc/57/86/09/642578609.db2.gz	PFJAIPVUBJZJJM-SNVBAGLBSA-N	0	1	395.894	0.826	20	30		GCEDMN
C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848959894	642578956	/nfs/dbraw/zinc/57/89/56/642578956.db2.gz	UZQKIBCRHVWHKB-UHFFFAOYSA-N	0	1	380.879	0.547	20	30		GCEDMN
Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n[nH]c1C1CC1	ZINC000848959972	642579478	/nfs/dbraw/zinc/57/94/78/642579478.db2.gz	SRHGKBQOHNPSBM-UHFFFAOYSA-N	0	1	387.487	0.513	20	30		GCEDMN
Cc1c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n[nH]c1C1CC1	ZINC000848959972	642579483	/nfs/dbraw/zinc/57/94/83/642579483.db2.gz	SRHGKBQOHNPSBM-UHFFFAOYSA-N	0	1	387.487	0.513	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C)ncc1C	ZINC000848960304	642581027	/nfs/dbraw/zinc/58/10/27/642581027.db2.gz	ASUJRQYQEMLVMQ-UHFFFAOYSA-N	0	1	387.527	0.926	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848961204	642585160	/nfs/dbraw/zinc/58/51/60/642585160.db2.gz	VMTZNEHSWNVCEW-UHFFFAOYSA-N	0	1	394.906	0.935	20	30		GCEDMN
N#CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cnc(Cl)cn2)CC1	ZINC000848964247	642598664	/nfs/dbraw/zinc/59/86/64/642598664.db2.gz	MNHSPTBQELYOCM-UHFFFAOYSA-N	0	1	393.878	0.485	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000848965113	642602050	/nfs/dbraw/zinc/60/20/50/642602050.db2.gz	IKUYNZQETSWLMF-SNVBAGLBSA-N	0	1	390.443	0.371	20	30		GCEDMN
N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cnc(Cl)cn2)C1	ZINC000848969225	642618552	/nfs/dbraw/zinc/61/85/52/642618552.db2.gz	DXLUEJWOWSXJQB-UHFFFAOYSA-N	0	1	393.878	0.437	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848969384	642619197	/nfs/dbraw/zinc/61/91/97/642619197.db2.gz	KNMGVAIVFUJHHT-NSHDSACASA-N	0	1	394.906	0.935	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1n[nH]c(C)c1C	ZINC000848969408	642619698	/nfs/dbraw/zinc/61/96/98/642619698.db2.gz	LMMGFWVWBWOIPZ-NSHDSACASA-N	0	1	376.504	0.832	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848969721	642621220	/nfs/dbraw/zinc/62/12/20/642621220.db2.gz	XVKHEINSMHVSRV-LLVKDONJSA-N	0	1	394.906	0.935	20	30		GCEDMN
CCOC(=O)[C@H](NS(=O)(=O)N(C)CCC#N)[C@H](O)c1ccc(Cl)cc1	ZINC000859242920	642989619	/nfs/dbraw/zinc/98/96/19/642989619.db2.gz	PRJCWUPASISPRP-ZIAGYGMSSA-N	0	1	389.861	0.985	20	30		GCEDMN
N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2)nc1	ZINC000290888921	1192224134	/nfs/dbraw/zinc/22/41/34/1192224134.db2.gz	ZNRUAXPIXQLYDF-GOSISDBHSA-N	0	1	396.495	0.735	20	30		GCEDMN
N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCCCN3C3CC3)CC2)nc1	ZINC000290888921	1192224137	/nfs/dbraw/zinc/22/41/37/1192224137.db2.gz	ZNRUAXPIXQLYDF-GOSISDBHSA-N	0	1	396.495	0.735	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccn[nH]1	ZINC000278859352	1192260464	/nfs/dbraw/zinc/26/04/64/1192260464.db2.gz	XARMMJQIFHTSQZ-JYVODHTOSA-N	0	1	390.396	0.852	20	30		GCEDMN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000278928324	1192374206	/nfs/dbraw/zinc/37/42/06/1192374206.db2.gz	SHUPNTVJWQCRRE-IAGOWNOFSA-N	0	1	379.482	0.798	20	30		GCEDMN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000278928328	1192374416	/nfs/dbraw/zinc/37/44/16/1192374416.db2.gz	SHUPNTVJWQCRRE-SJORKVTESA-N	0	1	379.482	0.798	20	30		GCEDMN
CCN(CC)[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccco1	ZINC000585775772	1192410635	/nfs/dbraw/zinc/41/06/35/1192410635.db2.gz	PHUOAXLGQAIWQJ-INIZCTEOSA-N	0	1	375.473	0.883	20	30		GCEDMN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(N)=O	ZINC000279216735	1192487754	/nfs/dbraw/zinc/48/77/54/1192487754.db2.gz	MVODQKZOEYFUGT-AWEZNQCLSA-N	0	1	388.472	0.509	20	30		GCEDMN
COC(=O)CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000512272712	1192596155	/nfs/dbraw/zinc/59/61/55/1192596155.db2.gz	UKCXLFCROOZMLF-UHFFFAOYSA-N	0	1	377.445	0.777	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1cnn(C)c1	ZINC000982294955	1192628633	/nfs/dbraw/zinc/62/86/33/1192628633.db2.gz	YEQKCHPDSAIMNH-WTTBNOFXSA-N	0	1	384.440	0.459	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)CN1	ZINC000418860066	1192670670	/nfs/dbraw/zinc/67/06/70/1192670670.db2.gz	ZGASPUUNVCYSCX-IIAWOOMASA-N	0	1	387.459	0.991	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418908835	1192687196	/nfs/dbraw/zinc/68/71/96/1192687196.db2.gz	NKLCABJJSXINEQ-ZWKOTPCHSA-N	0	1	397.479	0.770	20	30		GCEDMN
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1	ZINC000784922992	1184213115	/nfs/dbraw/zinc/21/31/15/1184213115.db2.gz	CGVQJOUIDDQCQC-UHFFFAOYSA-N	0	1	396.491	0.736	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2CN2CCOCC2)CC1	ZINC000246093441	1184465454	/nfs/dbraw/zinc/46/54/54/1184465454.db2.gz	NYTPRVDKDMDDND-VQTJNVASSA-N	0	1	391.560	0.865	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1	ZINC000430417604	1184701435	/nfs/dbraw/zinc/70/14/35/1184701435.db2.gz	XAYBGYKOEKYZNT-ZWKOTPCHSA-N	0	1	379.501	0.655	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1	ZINC000430418793	1184702501	/nfs/dbraw/zinc/70/25/01/1184702501.db2.gz	QDFZQLPLOUEVQJ-QZTJIDSGSA-N	0	1	379.501	0.655	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1	ZINC000430418797	1184702601	/nfs/dbraw/zinc/70/26/01/1184702601.db2.gz	QDFZQLPLOUEVQJ-ZWKOTPCHSA-N	0	1	379.501	0.655	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1	ZINC000275599462	1184791028	/nfs/dbraw/zinc/79/10/28/1184791028.db2.gz	LUGCVGFULLZUEM-OAHLLOKOSA-N	0	1	393.509	0.515	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1	ZINC000275599457	1184791079	/nfs/dbraw/zinc/79/10/79/1184791079.db2.gz	LUGCVGFULLZUEM-HNNXBMFYSA-N	0	1	393.509	0.515	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](O)C1	ZINC000970522560	1184842403	/nfs/dbraw/zinc/84/24/03/1184842403.db2.gz	AQQQPIFZSFMGAT-SIXLDLHFSA-N	0	1	384.436	0.846	20	30		GCEDMN
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1	ZINC000275640244	1184849112	/nfs/dbraw/zinc/84/91/12/1184849112.db2.gz	DPXITSFIVWXBSM-MRXNPFEDSA-N	0	1	387.484	0.869	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000458022496	1184940326	/nfs/dbraw/zinc/94/03/26/1184940326.db2.gz	MGGDIFFUBPPLSD-LLVKDONJSA-N	0	1	390.469	0.957	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H](O)C2)CC1	ZINC000970857416	1185110721	/nfs/dbraw/zinc/11/07/21/1185110721.db2.gz	YIYNJQWVBAYQDT-TVFCKZIOSA-N	0	1	385.464	0.416	20	30		GCEDMN
CN(CC(=O)NCc1n[nH]c(C(C)(C)C)n1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000458024772	1185307993	/nfs/dbraw/zinc/30/79/93/1185307993.db2.gz	OHYZVPMKZVYMLK-UHFFFAOYSA-N	0	1	390.469	0.911	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1	ZINC000580982431	1185463232	/nfs/dbraw/zinc/46/32/32/1185463232.db2.gz	IXNJBASVQVLOBD-UHFFFAOYSA-N	0	1	383.393	0.655	20	30		GCEDMN
CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCCn2cncn2)CC1	ZINC000328790242	1185693367	/nfs/dbraw/zinc/69/33/67/1185693367.db2.gz	YQKDYZWWKNOSAS-UHFFFAOYSA-N	0	1	399.521	0.319	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCC[C@H]1c1ncon1)c1cc[nH]n1	ZINC000276524658	1185863485	/nfs/dbraw/zinc/86/34/85/1185863485.db2.gz	DBGJGOOMZOGARO-XGERHETISA-N	0	1	376.373	0.830	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccccc1F)c1ccn[nH]1	ZINC000276535025	1185873429	/nfs/dbraw/zinc/87/34/29/1185873429.db2.gz	FNVXTAUXAHUFIF-USIKMKBCSA-N	0	1	378.360	0.682	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1c(C)nn(CCOC)c1C)c1ccn[nH]1	ZINC000276549582	1185886587	/nfs/dbraw/zinc/88/65/87/1185886587.db2.gz	HKUOMEHRWJHPPH-CJLVFECKSA-N	0	1	392.416	0.792	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)CC(=O)Nc1cc(C)on1)c1cc[nH]n1	ZINC000276567156	1185904675	/nfs/dbraw/zinc/90/46/75/1185904675.db2.gz	JXSUQVLKFILYOR-RCCKNPSSSA-N	0	1	392.372	0.087	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)c1cccc(OC)c1)c1ccn[nH]1	ZINC000276618947	1185929490	/nfs/dbraw/zinc/92/94/90/1185929490.db2.gz	QMSLUPNQCIZXAG-GBPUDXIESA-N	0	1	390.396	0.552	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCN(C2CCCC2)CC1)c1ccn[nH]1	ZINC000276629083	1185931308	/nfs/dbraw/zinc/93/13/08/1185931308.db2.gz	SFOPIVFDQUCZMF-HEHNFIMWSA-N	0	1	377.445	0.780	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](COCCOC)C1)c1cc[nH]n1	ZINC000276648889	1185934192	/nfs/dbraw/zinc/93/41/92/1185934192.db2.gz	WHSTWCXKJYDEGW-MMOSJZJFSA-N	0	1	382.417	0.205	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccn[nH]1	ZINC000276647380	1185934388	/nfs/dbraw/zinc/93/43/88/1185934388.db2.gz	WCYIRZYAGSNFKU-HMMYKYKNSA-N	0	1	375.341	0.918	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1ccccc1)c1ccn[nH]1	ZINC000276654498	1185935907	/nfs/dbraw/zinc/93/59/07/1185935907.db2.gz	XEBYVNQRAFHBSE-JZRFMTABSA-N	0	1	388.380	0.724	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccn[nH]1	ZINC000276666393	1185940995	/nfs/dbraw/zinc/94/09/95/1185940995.db2.gz	YRYGJRAPIWGMCF-RPNTZMPASA-N	0	1	392.387	0.857	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@](C)(C(N)=O)c1ccccc1)c1ccn[nH]1	ZINC000276668255	1185942977	/nfs/dbraw/zinc/94/29/77/1185942977.db2.gz	YTLOYHSARNNENR-FSTGKYBXSA-N	0	1	387.396	0.210	20	30		GCEDMN
Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]2NCC(=O)NCC#N)cn1	ZINC001691283896	1186113476	/nfs/dbraw/zinc/11/34/76/1186113476.db2.gz	SWESRXZETFCURM-XWTMOSNGSA-N	0	1	384.484	0.380	20	30		GCEDMN
CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1	ZINC001691367694	1186195511	/nfs/dbraw/zinc/19/55/11/1186195511.db2.gz	GPZRBUKJEMDVFB-AWEZNQCLSA-N	0	1	397.439	0.535	20	30		GCEDMN
COCCN1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000610806140	1186227281	/nfs/dbraw/zinc/22/72/81/1186227281.db2.gz	TYEZMELLWYYPQH-GOEBONIOSA-N	0	1	394.497	0.452	20	30		GCEDMN
C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(CCC#N)CCN1CCOCC1	ZINC000471979798	1186235849	/nfs/dbraw/zinc/23/58/49/1186235849.db2.gz	PEGPQDAGLMUDEA-HNNXBMFYSA-N	0	1	398.467	0.756	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000277134186	1186247500	/nfs/dbraw/zinc/24/75/00/1186247500.db2.gz	GEVNICRLSDPILD-ROUUACIJSA-N	0	1	384.484	0.204	20	30		GCEDMN
C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CN1CCN(C)CC1	ZINC000511030682	1186334053	/nfs/dbraw/zinc/33/40/53/1186334053.db2.gz	OKMWHRZFJOSORL-MRXNPFEDSA-N	0	1	392.525	0.473	20	30		GCEDMN
CCN1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000582419991	1186525943	/nfs/dbraw/zinc/52/59/43/1186525943.db2.gz	UYRWGVRDOXFVKP-IBGZPJMESA-N	0	1	383.496	0.607	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c1cc[nH]n1	ZINC000277866176	1186654018	/nfs/dbraw/zinc/65/40/18/1186654018.db2.gz	BHIWTYCMJAYSNO-OHARDZCESA-N	0	1	382.417	0.882	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](C2OCCO2)C1)c1cc[nH]n1	ZINC000277882274	1186660593	/nfs/dbraw/zinc/66/05/93/1186660593.db2.gz	BSBQXTQMBJGPLZ-PQXWDWFGSA-N	0	1	380.401	0.305	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](C2OCCO2)C1)c1cc[nH]n1	ZINC000277882271	1186660982	/nfs/dbraw/zinc/66/09/82/1186660982.db2.gz	BSBQXTQMBJGPLZ-FTRNENOISA-N	0	1	380.401	0.305	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CCOC)Cc1cccnc1)c1cc[nH]n1	ZINC000277962995	1186725347	/nfs/dbraw/zinc/72/53/47/1186725347.db2.gz	IADBBESPTUGECT-OQKWZONESA-N	0	1	389.412	0.764	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)OC1CCCC1)c1ccn[nH]1	ZINC000277998251	1186739637	/nfs/dbraw/zinc/73/96/37/1186739637.db2.gz	OAMVWPARNJPPSD-WZWGVQAKSA-N	0	1	380.401	0.684	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(=O)N(C)C1CCCCC1)c1ccn[nH]1	ZINC000278035765	1186754609	/nfs/dbraw/zinc/75/46/09/1186754609.db2.gz	RRHBKTVAFMGCOL-OQKWZONESA-N	0	1	393.444	0.601	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C)c1ccn[nH]1	ZINC000278084549	1186772521	/nfs/dbraw/zinc/77/25/21/1186772521.db2.gz	XMVZZKOQARYYKE-DRXAPLQTSA-N	0	1	393.444	0.599	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@]1(O)C[C@H](OCC)C1(C)C)c1ccn[nH]1	ZINC000278108658	1186786057	/nfs/dbraw/zinc/78/60/57/1186786057.db2.gz	BTMZINRKBCOUFN-HDOMJAFTSA-N	0	1	396.444	0.376	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1	ZINC000583250722	1186807756	/nfs/dbraw/zinc/80/77/56/1186807756.db2.gz	SDYVFHMUQWFEGR-AEFFLSMTSA-N	0	1	379.530	0.901	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1COc2ccccc2C1=O)c1ccn[nH]1	ZINC000278279208	1186868501	/nfs/dbraw/zinc/86/85/01/1186868501.db2.gz	BCKFOPODSXSXLO-UAHGDZPKSA-N	0	1	386.364	0.454	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@H](OCC)[C@]12CCCO2)c1ccn[nH]1	ZINC000278288322	1186873882	/nfs/dbraw/zinc/87/38/82/1186873882.db2.gz	BRAKVZKMANJIML-XGSZXCIDSA-N	0	1	394.428	0.536	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1cc[nH]n1	ZINC000278431081	1186942060	/nfs/dbraw/zinc/94/20/60/1186942060.db2.gz	DEIRRMFMPAWRTQ-JEEMYIIMSA-N	0	1	394.428	0.695	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(CCC(N)=O)CC1)c1cc[nH]n1	ZINC000278462997	1186952940	/nfs/dbraw/zinc/95/29/40/1186952940.db2.gz	HMLHVIPBWQJKFP-LTGZKZEYSA-N	0	1	379.417	0.198	20	30		GCEDMN
CC(C)(C)c1csc(NC(=O)C(=O)NCC(=O)N2CCNCC2)c1C#N	ZINC000583919706	1186961496	/nfs/dbraw/zinc/96/14/96/1186961496.db2.gz	WRRDSCUUSDHGNS-UHFFFAOYSA-N	0	1	377.470	0.404	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(C2(C)OCCO2)CC1)c1cc[nH]n1	ZINC000278506132	1186963854	/nfs/dbraw/zinc/96/38/54/1186963854.db2.gz	KVNXDBDXENXZFE-LTGZKZEYSA-N	0	1	394.428	0.695	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1	ZINC000583972972	1186971472	/nfs/dbraw/zinc/97/14/72/1186971472.db2.gz	RWPLKASALFUILW-HKUYNNGSSA-N	0	1	389.544	0.915	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)c1ccn[nH]1	ZINC000278621363	1186997211	/nfs/dbraw/zinc/99/72/11/1186997211.db2.gz	LVXSWQCHPGDTJX-OEAKJJBVSA-N	0	1	395.460	0.751	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(O)(C(F)(F)F)CC1)c1cc[nH]n1	ZINC000278735056	1187038989	/nfs/dbraw/zinc/03/89/89/1187038989.db2.gz	SDHIHCHHOPSEGB-CIAFOILYSA-N	0	1	392.334	0.609	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CO)c1ccc(F)cc1)c1ccn[nH]1	ZINC000278747035	1187044542	/nfs/dbraw/zinc/04/45/42/1187044542.db2.gz	STZMIDZRRPTUBM-USIKMKBCSA-N	0	1	378.360	0.682	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1O	ZINC001023941875	1187179165	/nfs/dbraw/zinc/17/91/65/1187179165.db2.gz	DYLNRHIOFDBVJK-CRNXPOROSA-N	0	1	385.424	0.241	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1	ZINC001023950290	1187186518	/nfs/dbraw/zinc/18/65/18/1187186518.db2.gz	RQDMWWAAEYOFGE-MANSERQUSA-N	0	1	391.512	0.081	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1O	ZINC001023960647	1187194337	/nfs/dbraw/zinc/19/43/37/1187194337.db2.gz	QRIONEWIIJYDST-YYQUZTFQSA-N	0	1	385.424	0.241	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc3nc[nH]c32)C1	ZINC001024082120	1187235807	/nfs/dbraw/zinc/23/58/07/1187235807.db2.gz	GIJIHRZOKFNBEW-MPESAESLSA-N	0	1	385.424	0.241	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1	ZINC001024258933	1187351069	/nfs/dbraw/zinc/35/10/69/1187351069.db2.gz	ZNROKSUKRGVNBK-JHEVNIALSA-N	0	1	382.848	0.518	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3cncn3c2)C1	ZINC001024649783	1187558436	/nfs/dbraw/zinc/55/84/36/1187558436.db2.gz	DONSCFIADBJLEU-TVFCKZIOSA-N	0	1	384.436	0.617	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1	ZINC001024861586	1187653194	/nfs/dbraw/zinc/65/31/94/1187653194.db2.gz	GOJAVEOYGMZNJU-TVFCKZIOSA-N	0	1	384.436	0.617	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1	ZINC001024864098	1187653872	/nfs/dbraw/zinc/65/38/72/1187653872.db2.gz	MQBXBIUVOQKTBP-MLHJIOFPSA-N	0	1	384.436	0.617	20	30		GCEDMN
C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CC(C)(C)O	ZINC000580865652	1187703084	/nfs/dbraw/zinc/70/30/84/1187703084.db2.gz	XMGSWHZIZLJBLH-AWEZNQCLSA-N	0	1	394.497	0.140	20	30		GCEDMN
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1O	ZINC001024955514	1187716503	/nfs/dbraw/zinc/71/65/03/1187716503.db2.gz	ARXUGVVKWMQYJS-PSBWJHGTSA-N	0	1	378.432	0.425	20	30		GCEDMN
C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414216945	1187767927	/nfs/dbraw/zinc/76/79/27/1187767927.db2.gz	BHILSDJTDPWMIO-SNVBAGLBSA-N	0	1	395.416	0.888	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)C[C@H]2C)CC1	ZINC000249344569	1187822576	/nfs/dbraw/zinc/82/25/76/1187822576.db2.gz	JLWIACOJGBQXGD-QZTJIDSGSA-N	0	1	379.549	0.456	20	30		GCEDMN
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000415335694	1188051376	/nfs/dbraw/zinc/05/13/76/1188051376.db2.gz	SHFZZHHZOUCWDJ-HNNXBMFYSA-N	0	1	399.451	0.176	20	30		GCEDMN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000415338558	1188055342	/nfs/dbraw/zinc/05/53/42/1188055342.db2.gz	YBJUVVWSNUXHNN-INIZCTEOSA-N	0	1	383.452	0.476	20	30		GCEDMN
CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@@H]2C1	ZINC000377937281	1189378947	/nfs/dbraw/zinc/37/89/47/1189378947.db2.gz	GDPJNALJORADCC-CZUORRHYSA-N	0	1	379.424	0.630	20	30		GCEDMN
O=C(NCC#CCO)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1	ZINC000923767948	1189402993	/nfs/dbraw/zinc/40/29/93/1189402993.db2.gz	LOFOCWKAQZWKQW-UHFFFAOYSA-N	0	1	386.496	0.653	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)NCCCCN2CCN(CCO)CC2)c(F)c1	ZINC000481052172	1189421128	/nfs/dbraw/zinc/42/11/28/1189421128.db2.gz	OVHFPMLSNPRREW-UHFFFAOYSA-N	0	1	398.504	0.507	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)CCc1ccccc1)c1ccn[nH]1	ZINC000278836284	1189789977	/nfs/dbraw/zinc/78/99/77/1189789977.db2.gz	VOUFLXWPEJMOHP-CVIUTVQRSA-N	0	1	388.424	0.803	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1	ZINC000425286192	1193732297	/nfs/dbraw/zinc/73/22/97/1193732297.db2.gz	AJWXTGYIAIVXTK-GFCCVEGCSA-N	0	1	391.409	0.331	20	30		GCEDMN
CCN1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000429895892	1193790628	/nfs/dbraw/zinc/79/06/28/1193790628.db2.gz	NTNPXGODIQZBIJ-UHFFFAOYSA-N	0	1	384.415	1.376	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C)CN1	ZINC000419715058	1194091269	/nfs/dbraw/zinc/09/12/69/1194091269.db2.gz	AAPMIKHWYRWIRM-QBBMROGASA-N	0	1	385.468	0.968	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](OCC)C1	ZINC000982952206	1194221587	/nfs/dbraw/zinc/22/15/87/1194221587.db2.gz	XSAGDIUVNASVAR-CLWVCHIJSA-N	0	1	377.445	0.379	20	30		GCEDMN
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000423129018	1194729605	/nfs/dbraw/zinc/72/96/05/1194729605.db2.gz	WJRZKAXDJWQYLY-LJQANCHMSA-N	0	1	398.507	0.872	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1	ZINC000423129322	1194729752	/nfs/dbraw/zinc/72/97/52/1194729752.db2.gz	QZPTWDMIOUXGLA-ZDUSSCGKSA-N	0	1	398.423	0.275	20	30		GCEDMN
C=CCc1ccc(OCC(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)c(OC)c1	ZINC000435704865	1194957957	/nfs/dbraw/zinc/95/79/57/1194957957.db2.gz	GQXUAUBJYIRKPD-LSDHHAIUSA-N	0	1	378.425	0.391	20	30		GCEDMN
C=CCn1cc(CNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)nn1	ZINC000425794118	1195100562	/nfs/dbraw/zinc/10/05/62/1195100562.db2.gz	ADEMENOCXHAHPL-UHFFFAOYSA-N	0	1	397.483	0.466	20	30		GCEDMN
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@@H]2C(N)=O)c1	ZINC000473583228	1195162111	/nfs/dbraw/zinc/16/21/11/1195162111.db2.gz	QDXHNICVZIBXJP-QZTJIDSGSA-N	0	1	397.479	0.505	20	30		GCEDMN
CCOCCN1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270293046	1195178055	/nfs/dbraw/zinc/17/80/55/1195178055.db2.gz	FXELEENGQSIKLQ-CQSZACIVSA-N	0	1	377.466	0.907	20	30		GCEDMN
CC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270293911	1195180789	/nfs/dbraw/zinc/18/07/89/1195180789.db2.gz	QNOVQWKQPCRZOK-GXTWGEPZSA-N	0	1	375.450	0.848	20	30		GCEDMN
O=C([C@@H](O)C(F)(F)F)N1C[C@@]2(F)C(=O)N(CCC(F)(F)F)C[C@@]2(F)C1	ZINC001270352148	1195221540	/nfs/dbraw/zinc/22/15/40/1195221540.db2.gz	BJXPSZWBGIVPBW-BDODKLCJSA-N	0	1	384.223	0.963	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)Cc1nncn1C(C)C)c1cc[nH]n1	ZINC000294072286	1195244744	/nfs/dbraw/zinc/24/47/44/1195244744.db2.gz	QKZUIYVWLSLFAW-RCCKNPSSSA-N	0	1	377.405	0.525	20	30		GCEDMN
C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000439344041	1195310303	/nfs/dbraw/zinc/31/03/03/1195310303.db2.gz	JMNXYIUPPWRKHW-CYBMUJFWSA-N	0	1	384.415	1.374	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C)CC[C@H]1C	ZINC000439348290	1195310880	/nfs/dbraw/zinc/31/08/80/1195310880.db2.gz	KYSPDBBDHKSXTD-CQSZACIVSA-N	0	1	381.440	0.939	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000894423309	1195423377	/nfs/dbraw/zinc/42/33/77/1195423377.db2.gz	RDFOBHPUBZEINO-IBGZPJMESA-N	0	1	398.511	0.548	20	30		GCEDMN
Cc1nsc(N2CCN(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N	ZINC000519849414	1195577411	/nfs/dbraw/zinc/57/74/11/1195577411.db2.gz	LDFYIEGITUHECB-FMKPAKJESA-N	0	1	379.530	0.915	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)C1	ZINC000328670769	1195659306	/nfs/dbraw/zinc/65/93/06/1195659306.db2.gz	GRFJQQLGHPNDLN-MRXNPFEDSA-N	0	1	390.550	0.518	20	30		GCEDMN
O=C(N[C@H]1CCc2ncnn2C1)N1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000328723267	1195660459	/nfs/dbraw/zinc/66/04/59/1195660459.db2.gz	SIICSELBJRGFME-ZDUSSCGKSA-N	0	1	382.490	0.397	20	30		GCEDMN
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCOC[C@@H]1c1nnc[nH]1	ZINC000328939844	1195677210	/nfs/dbraw/zinc/67/72/10/1195677210.db2.gz	KOGPVQVCHZDBES-OAHLLOKOSA-N	0	1	386.412	0.896	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1	ZINC000328912371	1195679815	/nfs/dbraw/zinc/67/98/15/1195679815.db2.gz	HFINNKRMHLTNFN-MRXNPFEDSA-N	0	1	395.529	0.428	20	30		GCEDMN
CCS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1	ZINC000330473331	1195689502	/nfs/dbraw/zinc/68/95/02/1195689502.db2.gz	GIHNLUKIBAYEHO-MRXNPFEDSA-N	0	1	390.550	0.661	20	30		GCEDMN
CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000330644997	1195699000	/nfs/dbraw/zinc/69/90/00/1195699000.db2.gz	GEBILNHCUBPYNP-DLBZAZTESA-N	0	1	383.537	0.540	20	30		GCEDMN
CC[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCN1C[C@H](C)O	ZINC000330662948	1195699951	/nfs/dbraw/zinc/69/99/51/1195699951.db2.gz	WSIBWOUCONFULW-ZFWWWQNUSA-N	0	1	384.502	0.917	20	30		GCEDMN
C[C@@H]1[C@@H](C)N(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCN1C	ZINC000330621202	1195700749	/nfs/dbraw/zinc/70/07/49/1195700749.db2.gz	BEPMOUGGLJJYEP-ZIAGYGMSSA-N	0	1	396.513	0.793	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1	ZINC000330732262	1195707637	/nfs/dbraw/zinc/70/76/37/1195707637.db2.gz	KXZBCOQPRBGQDH-BZUAXINKSA-N	0	1	390.550	0.707	20	30		GCEDMN
CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CC(C)(C)O)CC2)c1	ZINC000331000512	1195717155	/nfs/dbraw/zinc/71/71/55/1195717155.db2.gz	QEQGFSUHOKYYDT-UHFFFAOYSA-N	0	1	384.502	0.397	20	30		GCEDMN
CNC(=O)[C@@H]1CCCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1	ZINC000331206683	1195724241	/nfs/dbraw/zinc/72/42/41/1195724241.db2.gz	ZUJLBAFCRJADKE-MRXNPFEDSA-N	0	1	395.548	0.985	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000331333342	1195727396	/nfs/dbraw/zinc/72/73/96/1195727396.db2.gz	IUVLIOPDKAVMKN-CQSZACIVSA-N	0	1	398.529	0.833	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CN2CCOCC2)CC1	ZINC000180696288	1195769310	/nfs/dbraw/zinc/76/93/10/1195769310.db2.gz	NYTPRVDKDMDDND-WOJBJXKFSA-N	0	1	391.560	0.865	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CC(=O)N(C)C)CC2)CC1	ZINC000182169530	1195783665	/nfs/dbraw/zinc/78/36/65/1195783665.db2.gz	TUXAINCNSKBURG-GOSISDBHSA-N	0	1	377.533	0.869	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1	ZINC000328688482	1196057573	/nfs/dbraw/zinc/05/75/73/1196057573.db2.gz	CQKVEYWBLANXSF-HOTGVXAUSA-N	0	1	388.534	0.369	20	30		GCEDMN
Cc1[nH]ncc1CCCNC(=O)CCNC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000474141081	1196086592	/nfs/dbraw/zinc/08/65/92/1196086592.db2.gz	XCJWBSOJYVAUPM-UHFFFAOYSA-N	0	1	396.451	0.575	20	30		GCEDMN
C#CCNS(=O)(=O)N1CCN(CC2(C)CCN(C(=O)OCC)CC2)CC1	ZINC000895917084	1196118011	/nfs/dbraw/zinc/11/80/11/1196118011.db2.gz	BNKHVSYPWACPCC-UHFFFAOYSA-N	0	1	386.518	0.330	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCOCC3)C[C@H]2C1	ZINC001087970395	1196142719	/nfs/dbraw/zinc/14/27/19/1196142719.db2.gz	VKLMMEBMENJHCD-HCXYKTFWSA-N	0	1	391.512	0.607	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@@H]3CCN(C)C[C@H]32)c1C	ZINC000329022945	1196156909	/nfs/dbraw/zinc/15/69/09/1196156909.db2.gz	MTGCKOWOPACWTF-IAGOWNOFSA-N	0	1	396.513	0.944	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c1	ZINC000896575931	1196168958	/nfs/dbraw/zinc/16/89/58/1196168958.db2.gz	DIEIEBWLKSRMBS-YOEHRIQHSA-N	0	1	380.514	0.515	20	30		GCEDMN
O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2[nH]cnc2cc1F	ZINC000329155373	1196169718	/nfs/dbraw/zinc/16/97/18/1196169718.db2.gz	ATSXXJXODXHSOW-GFCCVEGCSA-N	0	1	375.404	0.940	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1	ZINC000896577599	1196170886	/nfs/dbraw/zinc/17/08/86/1196170886.db2.gz	QBSUZZLNBNXSGH-RHSMWYFYSA-N	0	1	380.514	0.515	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1	ZINC000896577597	1196170895	/nfs/dbraw/zinc/17/08/95/1196170895.db2.gz	QBSUZZLNBNXSGH-PBHICJAKSA-N	0	1	380.514	0.515	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)CCn3nc4ccccn4c3=O)CC2)C1=O	ZINC000329176982	1196172160	/nfs/dbraw/zinc/17/21/60/1196172160.db2.gz	MQULKYCLUSOCSR-OAHLLOKOSA-N	0	1	386.456	0.538	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)C1=O	ZINC000329182652	1196172921	/nfs/dbraw/zinc/17/29/21/1196172921.db2.gz	OPHRUTFPBQXPTM-IFXJQAMLSA-N	0	1	391.472	0.563	20	30		GCEDMN
O=C(CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@H+]1C2)N1CCCC1	ZINC000329215479	1196176962	/nfs/dbraw/zinc/17/69/62/1196176962.db2.gz	MSTDFXBCNFHEBD-ROUUACIJSA-N	0	1	399.495	0.711	20	30		GCEDMN
O=C(CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)N1CCCC1	ZINC000329215479	1196176964	/nfs/dbraw/zinc/17/69/64/1196176964.db2.gz	MSTDFXBCNFHEBD-ROUUACIJSA-N	0	1	399.495	0.711	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1	ZINC000329374914	1196190404	/nfs/dbraw/zinc/19/04/04/1196190404.db2.gz	NOXMZHNEFNIREY-SFHVURJKSA-N	0	1	394.541	0.467	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000329402255	1196192448	/nfs/dbraw/zinc/19/24/48/1196192448.db2.gz	ZHHQUEKXYOREFX-HNNXBMFYSA-N	0	1	396.513	0.258	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)C1=O	ZINC000329412797	1196193327	/nfs/dbraw/zinc/19/33/27/1196193327.db2.gz	FFRIKJWWUOZOMC-XHSDSOJGSA-N	0	1	390.484	0.813	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000329473423	1196199519	/nfs/dbraw/zinc/19/95/19/1196199519.db2.gz	ONPDXMVVVYECMX-MRXNPFEDSA-N	0	1	381.502	0.798	20	30		GCEDMN
CC(C)CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CN(C)CCN2C)CC1	ZINC000329492474	1196200607	/nfs/dbraw/zinc/20/06/07/1196200607.db2.gz	TZANKJBBZWZZDH-INIZCTEOSA-N	0	1	389.566	0.186	20	30		GCEDMN
C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CCN1c1nccn2cnnc12	ZINC000329608881	1196209520	/nfs/dbraw/zinc/20/95/20/1196209520.db2.gz	NFWQPCSSQHTAQH-CHWSQXEVSA-N	0	1	381.444	0.829	20	30		GCEDMN
CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1	ZINC000329733203	1196228391	/nfs/dbraw/zinc/22/83/91/1196228391.db2.gz	JKZZGXZOPLXGOQ-SQNXGDPESA-N	0	1	383.474	0.791	20	30		GCEDMN
Cc1nc2cncc(N3CCN(C([O-])=[NH+][C@H]4CCc5[nH]cnc5C4)CC3)n2n1	ZINC000329749624	1196229415	/nfs/dbraw/zinc/22/94/15/1196229415.db2.gz	UJGFRTLYZVBTES-ZDUSSCGKSA-N	0	1	381.444	0.749	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](Cn3cccn3)C1)CC2	ZINC000329774661	1196230816	/nfs/dbraw/zinc/23/08/16/1196230816.db2.gz	MKJMEPQUNBJQBZ-KGLIPLIRSA-N	0	1	375.433	0.251	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCCN(C(=O)C(C)C)CC1)CC2	ZINC000329805848	1196232175	/nfs/dbraw/zinc/23/21/75/1196232175.db2.gz	NJORJVVJFVJERV-CQSZACIVSA-N	0	1	378.477	0.844	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@H]1C	ZINC000329863654	1196234896	/nfs/dbraw/zinc/23/48/96/1196234896.db2.gz	ZHKKVEOJEUQXSA-SJORKVTESA-N	0	1	395.548	0.232	20	30		GCEDMN
Cc1c([C@@H]2[C@H](C(=O)N[C@@H](C)CN3CCN(C)CC3)CC(=O)N2C)cnn1C	ZINC000329865458	1196235126	/nfs/dbraw/zinc/23/51/26/1196235126.db2.gz	AGUKHXSDAZSMPS-JOQOYGCGSA-N	0	1	376.505	0.840	20	30		GCEDMN
Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH+]=C([O-])N[C@@H]2CCc3ncnn3C2)cn1	ZINC000329921488	1196239500	/nfs/dbraw/zinc/23/95/00/1196239500.db2.gz	FUGGRGPEBXWDCJ-ZNMIVQPWSA-N	0	1	376.440	0.443	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@]3(CCOC3)OC(C)(C)C1)CC2	ZINC000329938714	1196240914	/nfs/dbraw/zinc/24/09/14/1196240914.db2.gz	ANFMKIPBDQOECB-ACJLOTCBSA-N	0	1	379.461	0.923	20	30		GCEDMN
Cc1cc(N=C([O-])CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cn(C)c1=O	ZINC000330210774	1196259663	/nfs/dbraw/zinc/25/96/63/1196259663.db2.gz	CNACJATYJYFYAS-INIZCTEOSA-N	0	1	376.457	0.995	20	30		GCEDMN
Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@@H]2CCn3ccnc3C2)CC1	ZINC000330277758	1196262951	/nfs/dbraw/zinc/26/29/51/1196262951.db2.gz	OSRGWYDYHYTKEK-CYBMUJFWSA-N	0	1	381.444	0.611	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1	ZINC000330322388	1196284302	/nfs/dbraw/zinc/28/43/02/1196284302.db2.gz	SMMHBTVHOXAOLH-INIZCTEOSA-N	0	1	382.505	0.582	20	30		GCEDMN
CC(C)CN1CCO[C@H](C[NH+]=C([O-])N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1	ZINC000330331312	1196289492	/nfs/dbraw/zinc/28/94/92/1196289492.db2.gz	NZPZFVFMLPOTJR-HUUCEWRRSA-N	0	1	393.492	0.285	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1CCC2(C[C@@H]2C(=O)NCc2cnc[nH]2)CC1	ZINC001271273017	1196293899	/nfs/dbraw/zinc/29/38/99/1196293899.db2.gz	ZFAWSDKNFYTQBH-KGLIPLIRSA-N	0	1	379.486	0.089	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1CCC2(C[C@H]2C(=O)NCc2cnc[nH]2)CC1	ZINC001271273016	1196294093	/nfs/dbraw/zinc/29/40/93/1196294093.db2.gz	ZFAWSDKNFYTQBH-KBPBESRZSA-N	0	1	379.486	0.089	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cc(C#N)ccc1C	ZINC000281572894	1196311348	/nfs/dbraw/zinc/31/13/48/1196311348.db2.gz	POIYOWMORGMSBW-UHFFFAOYSA-N	0	1	394.497	0.278	20	30		GCEDMN
COc1ccc(C#N)cc1CN1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1	ZINC001088107990	1196361501	/nfs/dbraw/zinc/36/15/01/1196361501.db2.gz	ADIHKSRLGQKTNB-SPUZQDLCSA-N	0	1	382.464	0.969	20	30		GCEDMN
CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCc1[nH]nc(N)c1C#N	ZINC000475583371	1196472829	/nfs/dbraw/zinc/47/28/29/1196472829.db2.gz	MUKUOIMOBNADRB-UHFFFAOYSA-N	0	1	384.444	0.778	20	30		GCEDMN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000841010054	1196586955	/nfs/dbraw/zinc/58/69/55/1196586955.db2.gz	XLDDWJYRCSCJNG-IUODEOHRSA-N	0	1	395.485	0.959	20	30		GCEDMN
N#CC1(NC(=O)CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)CCC1	ZINC000527368589	1196781625	/nfs/dbraw/zinc/78/16/25/1196781625.db2.gz	MQYPANKFXXBQSY-HXUWFJFHSA-N	0	1	381.436	0.745	20	30		GCEDMN
CN1CCN(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448619993	1196821121	/nfs/dbraw/zinc/82/11/21/1196821121.db2.gz	BAQWSDTWPBMSQA-HNNXBMFYSA-N	0	1	389.887	0.928	20	30		GCEDMN
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC000528488367	1196865150	/nfs/dbraw/zinc/86/51/50/1196865150.db2.gz	RZVZPQINWCIABS-IRXDYDNUSA-N	0	1	379.482	0.798	20	30		GCEDMN
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](CO)C2)CC1	ZINC000528607250	1196871824	/nfs/dbraw/zinc/87/18/24/1196871824.db2.gz	WDYPVUQTEMYBKW-JENIJYKNSA-N	0	1	390.459	0.067	20	30		GCEDMN
C=CCCN1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1	ZINC000985828889	1196910129	/nfs/dbraw/zinc/91/01/29/1196910129.db2.gz	BVYSIQNHKASEGN-LFDJNIOPSA-N	0	1	388.512	0.868	20	30		GCEDMN
COCCN1CC[C@@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1	ZINC000530408034	1196985747	/nfs/dbraw/zinc/98/57/47/1196985747.db2.gz	AGHZAVOTHYBXFY-OAHLLOKOSA-N	0	1	375.477	0.153	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C#N)CCN(C)CC1	ZINC000531966008	1197105087	/nfs/dbraw/zinc/10/50/87/1197105087.db2.gz	CMWIXKFAEDCORB-ZDUSSCGKSA-N	0	1	375.454	0.329	20	30		GCEDMN
COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C)n3)CC2)c1	ZINC000453643531	1197116297	/nfs/dbraw/zinc/11/62/97/1197116297.db2.gz	PDDBOALUPBCQLB-UHFFFAOYSA-N	0	1	380.408	0.953	20	30		GCEDMN
N#Cc1ccc(CN2CC[C@H](N3C(=O)N[C@@H](Cc4cnc[nH]4)C3=O)C2=O)cc1	ZINC000348558927	1197238017	/nfs/dbraw/zinc/23/80/17/1197238017.db2.gz	WYWOSEPAPAPYKO-HOTGVXAUSA-N	0	1	378.392	0.545	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C	ZINC001088576179	1197387413	/nfs/dbraw/zinc/38/74/13/1197387413.db2.gz	BGQMWZKQISHXSI-WCVJEAGWSA-N	0	1	392.500	0.877	20	30		GCEDMN
COCCOC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000533297343	1197444064	/nfs/dbraw/zinc/44/40/64/1197444064.db2.gz	HHKNLJDIDZVJLX-UHFFFAOYSA-N	0	1	391.472	0.631	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000729709679	1197477453	/nfs/dbraw/zinc/47/74/53/1197477453.db2.gz	MYUKYSWDLASBQC-IBGZPJMESA-N	0	1	396.407	0.842	20	30		GCEDMN
C=CCNC(=O)NC(=O)COC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O	ZINC000729712845	1197478534	/nfs/dbraw/zinc/47/85/34/1197478534.db2.gz	YMWIYGHYADZMSA-UHFFFAOYSA-N	0	1	386.368	0.045	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000729712182	1197479042	/nfs/dbraw/zinc/47/90/42/1197479042.db2.gz	QAOVWJZKKNLOBF-UHFFFAOYSA-N	0	1	384.396	0.794	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@@H]2c2ccc(CC)cc2)C1=O	ZINC000262145858	1197524922	/nfs/dbraw/zinc/52/49/22/1197524922.db2.gz	FKPTUYNIENJBQB-MRXNPFEDSA-N	0	1	384.436	0.699	20	30		GCEDMN
C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(C#N)CCN(C)CC1)C2=O	ZINC000533850117	1197572654	/nfs/dbraw/zinc/57/26/54/1197572654.db2.gz	PMMHABYMEGQZTI-KBPBESRZSA-N	0	1	375.473	0.837	20	30		GCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](OC)C1	ZINC001212425792	1198992684	/nfs/dbraw/zinc/99/26/84/1198992684.db2.gz	DXBIZHDKPBEQHF-JOCBIADPSA-N	0	1	389.500	0.753	20	30		GCEDMN
C=C[C@H](COC)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC001116640135	1199075408	/nfs/dbraw/zinc/07/54/08/1199075408.db2.gz	HZKXMAHFEAGFKC-LLVKDONJSA-N	0	1	378.472	0.936	20	30		GCEDMN
CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000067413408	1199519163	/nfs/dbraw/zinc/51/91/63/1199519163.db2.gz	HYZQWMYHMXMFKL-MRXNPFEDSA-N	0	1	388.472	0.351	20	30		GCEDMN
CC(=O)NC[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000067413408	1199519174	/nfs/dbraw/zinc/51/91/74/1199519174.db2.gz	HYZQWMYHMXMFKL-MRXNPFEDSA-N	0	1	388.472	0.351	20	30		GCEDMN
CC(C)N1CCO[C@H](CN2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1	ZINC000115542598	1199522230	/nfs/dbraw/zinc/52/22/30/1199522230.db2.gz	LQQZSFNISVKSBU-UXHICEINSA-N	0	1	385.512	0.811	20	30		GCEDMN
CCOC(=O)C[C@@H](C)N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000543188806	1199571512	/nfs/dbraw/zinc/57/15/12/1199571512.db2.gz	XWWPKNTYLYEVIH-CYBMUJFWSA-N	0	1	377.445	0.777	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCCN2CCN(C)CC2)c1	ZINC000123504994	1199788256	/nfs/dbraw/zinc/78/82/56/1199788256.db2.gz	GQQWJYCSRCTEDZ-UHFFFAOYSA-N	0	1	394.541	0.860	20	30		GCEDMN
CN(CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)S(=O)(=O)c1ccc(C#N)cc1	ZINC000329430735	1199841578	/nfs/dbraw/zinc/84/15/78/1199841578.db2.gz	KFKKBBVBUXCLRF-NVXWUHKLSA-N	0	1	376.482	0.731	20	30		GCEDMN
CC(C)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1C	ZINC000331150723	1199867411	/nfs/dbraw/zinc/86/74/11/1199867411.db2.gz	OKGCHCIJWOOYIV-QGZVFWFLSA-N	0	1	378.498	0.977	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Cn4ccnn4)CC3)CC2)o1	ZINC000155903806	1199877056	/nfs/dbraw/zinc/87/70/56/1199877056.db2.gz	BYSGPDPCCXWTNK-UHFFFAOYSA-N	0	1	398.471	0.507	20	30		GCEDMN
C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1O	ZINC000509141357	1199941584	/nfs/dbraw/zinc/94/15/84/1199941584.db2.gz	UVGGSPWYALEGAX-UKRRQHHQSA-N	0	1	385.424	0.767	20	30		GCEDMN
C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1O	ZINC000509141359	1199941773	/nfs/dbraw/zinc/94/17/73/1199941773.db2.gz	UVGGSPWYALEGAX-ZFWWWQNUSA-N	0	1	385.424	0.767	20	30		GCEDMN
CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1	ZINC000029913502	1199981306	/nfs/dbraw/zinc/98/13/06/1199981306.db2.gz	RZTDXSPAVGWSBQ-UHFFFAOYSA-N	0	1	376.482	0.875	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@@H](n2ccnn2)C1	ZINC001128993861	1200392492	/nfs/dbraw/zinc/39/24/92/1200392492.db2.gz	WGOKGTOKFYIYBX-BDXSIMOUSA-N	0	1	375.473	0.803	20	30		GCEDMN
CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)Nc1nn(C)cc1C#N	ZINC000588259662	1200658695	/nfs/dbraw/zinc/65/86/95/1200658695.db2.gz	CDGNCMWOQYVAMR-UHFFFAOYSA-N	0	1	381.484	1.573	20	30		GCEDMN
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3n[nH]nc3C2)CC1	ZINC000429301164	1200750081	/nfs/dbraw/zinc/75/00/81/1200750081.db2.gz	KPRPCGJLRMSSGH-SFHVURJKSA-N	0	1	383.431	0.711	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000509354341	1200895234	/nfs/dbraw/zinc/89/52/34/1200895234.db2.gz	IQXPGVAKKKERTF-MRXNPFEDSA-N	0	1	395.533	0.447	20	30		GCEDMN
CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1	ZINC000585801727	1200920925	/nfs/dbraw/zinc/92/09/25/1200920925.db2.gz	MHLKJPGELGPIMI-KGLIPLIRSA-N	0	1	393.411	1.559	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1	ZINC001129312908	1201207494	/nfs/dbraw/zinc/20/74/94/1201207494.db2.gz	RFFZMSIYRZLMPW-MHORFTMASA-N	0	1	375.473	0.803	20	30		GCEDMN
COCCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000611371014	1201233290	/nfs/dbraw/zinc/23/32/90/1201233290.db2.gz	HIUAODBBEMCBML-GOSISDBHSA-N	0	1	393.532	0.153	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1OC	ZINC001082226190	1201329311	/nfs/dbraw/zinc/32/93/11/1201329311.db2.gz	SJSWMAGDFRAYKR-FAJBIJEISA-N	0	1	375.469	0.682	20	30		GCEDMN
COC(=O)CCCN1CCC(=NNC(=S)NCCN2CCOCC2)CC1	ZINC000727059061	1201332282	/nfs/dbraw/zinc/33/22/82/1201332282.db2.gz	KOFAZCRKRUOPMX-UHFFFAOYSA-N	0	1	385.534	0.188	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001084352575	1201410358	/nfs/dbraw/zinc/41/03/58/1201410358.db2.gz	GVHHCJWUURNOJD-VQHPVUNQSA-N	0	1	390.484	0.442	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(CCOC)C2)c1	ZINC000729982645	1201423098	/nfs/dbraw/zinc/42/30/98/1201423098.db2.gz	CVVNNYMUWVNPAM-INIZCTEOSA-N	0	1	379.482	0.439	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1	ZINC000732444003	1201543936	/nfs/dbraw/zinc/54/39/36/1201543936.db2.gz	OKYBDOXRXLPMAD-VUAZUDAXSA-N	0	1	379.461	0.169	20	30		GCEDMN
NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(CC#Cc4ccccc4)[C@H]3C2)O1	ZINC001085031497	1201551235	/nfs/dbraw/zinc/55/12/35/1201551235.db2.gz	ZDAXLUQTYUZBHR-FUMNGEBKSA-N	0	1	381.476	0.994	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1	ZINC000735939548	1201705811	/nfs/dbraw/zinc/70/58/11/1201705811.db2.gz	HEVITKWUYRJPNC-UHFFFAOYSA-N	0	1	383.404	0.739	20	30		GCEDMN
CN(CCCC(=O)C(C#N)C(=O)NC1CC1)C1=NS(=O)(=O)c2ccccc21	ZINC000744030879	1201832898	/nfs/dbraw/zinc/83/28/98/1201832898.db2.gz	NLSNOLNVPQXYLY-AWEZNQCLSA-N	0	1	388.449	0.835	20	30		GCEDMN
COc1ccc(CNC(=O)C(C#N)C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1	ZINC000744037639	1201834319	/nfs/dbraw/zinc/83/43/19/1201834319.db2.gz	ZJSNEWHPEUNCHZ-LXDLAPCHSA-N	0	1	398.419	0.789	20	30		GCEDMN
COCCn1cc(CN=Nc2ccccc2S(=O)(=O)N2CCOCC2)cn1	ZINC000745200426	1201867770	/nfs/dbraw/zinc/86/77/70/1201867770.db2.gz	CUONFORUTZNVGY-UHFFFAOYSA-N	0	1	393.469	0.996	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1	ZINC000746186530	1201902504	/nfs/dbraw/zinc/90/25/04/1201902504.db2.gz	SKDFZHKOXCJJQS-UHFFFAOYSA-N	0	1	383.496	0.582	20	30		GCEDMN
CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CO1	ZINC001169368822	1201944051	/nfs/dbraw/zinc/94/40/51/1201944051.db2.gz	UIBUUUWXVNAPHH-GRYCIOLGSA-N	0	1	386.407	0.113	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=CC2CCC(C(F)(F)F)CC2)c(=O)n(C)c1=O	ZINC000767388729	1201972426	/nfs/dbraw/zinc/97/24/26/1201972426.db2.gz	WANHNRYMILARAL-UHFFFAOYSA-N	0	1	396.391	0.717	20	30		GCEDMN
C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O	ZINC001109040015	1201991196	/nfs/dbraw/zinc/99/11/96/1201991196.db2.gz	LYASAULSOIHNNI-FZKCQIBNSA-N	0	1	378.473	0.631	20	30		GCEDMN
C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O	ZINC001109171040	1202000100	/nfs/dbraw/zinc/00/01/00/1202000100.db2.gz	BPLYLPMYLBWPQF-NCOADZHNSA-N	0	1	375.469	0.411	20	30		GCEDMN
CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1)S(C)(=O)=O	ZINC001109365672	1202026611	/nfs/dbraw/zinc/02/66/11/1202026611.db2.gz	XKIFCESRAKNFMU-IKGGRYGDSA-N	0	1	376.482	0.671	20	30		GCEDMN
CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1)S(C)(=O)=O	ZINC001109366073	1202027230	/nfs/dbraw/zinc/02/72/30/1202027230.db2.gz	BYJGRZYRMUHDNG-IKGGRYGDSA-N	0	1	376.482	0.671	20	30		GCEDMN
C#CCN1CCN(C(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000746499296	1202056397	/nfs/dbraw/zinc/05/63/97/1202056397.db2.gz	HJHAOZNHHXWXGQ-UHFFFAOYSA-N	0	1	379.508	0.843	20	30		GCEDMN
CCC[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000769583643	1202063355	/nfs/dbraw/zinc/06/33/55/1202063355.db2.gz	FCFZFUCFBHHPSE-AWEZNQCLSA-N	0	1	378.454	0.932	20	30		GCEDMN
CNS(=O)(=O)c1ccc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cn1	ZINC000770457265	1202099717	/nfs/dbraw/zinc/09/97/17/1202099717.db2.gz	IVTPUPKQJWMKDT-LLVKDONJSA-N	0	1	394.434	0.788	20	30		GCEDMN
CNS(=O)(=O)c1ccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cn1	ZINC000770457265	1202099719	/nfs/dbraw/zinc/09/97/19/1202099719.db2.gz	IVTPUPKQJWMKDT-LLVKDONJSA-N	0	1	394.434	0.788	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(C#N)ccc1O	ZINC000771026466	1202121778	/nfs/dbraw/zinc/12/17/78/1202121778.db2.gz	BUHJTJLTPGXUDO-JTQLQIEISA-N	0	1	388.405	0.668	20	30		GCEDMN
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1O)C2	ZINC001109774908	1202121816	/nfs/dbraw/zinc/12/18/16/1202121816.db2.gz	QHUOOEUAVYZYSL-KCXAZCMYSA-N	0	1	381.436	0.973	20	30		GCEDMN
C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1[O-])C2	ZINC001109774908	1202121819	/nfs/dbraw/zinc/12/18/19/1202121819.db2.gz	QHUOOEUAVYZYSL-KCXAZCMYSA-N	0	1	381.436	0.973	20	30		GCEDMN
C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1[O-])C2	ZINC001109774908	1202121820	/nfs/dbraw/zinc/12/18/20/1202121820.db2.gz	QHUOOEUAVYZYSL-KCXAZCMYSA-N	0	1	381.436	0.973	20	30		GCEDMN
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCC(C)C)nn1	ZINC001109814324	1202129076	/nfs/dbraw/zinc/12/90/76/1202129076.db2.gz	YBCADRITZFICGP-CVYDXHPNSA-N	0	1	377.489	0.833	20	30		GCEDMN
C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C[C@H]3CCOC3)nn1)C2	ZINC001109900728	1202146651	/nfs/dbraw/zinc/14/66/51/1202146651.db2.gz	DCRBARFIVKNVLY-CBZIJGRNSA-N	0	1	375.473	0.852	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@H]2Cc2ccccc2)c(=O)n(C)c1=O	ZINC000771888226	1202166557	/nfs/dbraw/zinc/16/65/57/1202166557.db2.gz	AIZUCDQYVTVECC-AWEZNQCLSA-N	0	1	390.465	0.761	20	30		GCEDMN
CC(CCc1cccc(F)c1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771889571	1202166565	/nfs/dbraw/zinc/16/65/65/1202166565.db2.gz	JZIMOYPUTNACJM-UHFFFAOYSA-N	0	1	382.417	0.510	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc2ccccc2o1	ZINC000771890271	1202167950	/nfs/dbraw/zinc/16/79/50/1202167950.db2.gz	FPUOKDXBNOUMDQ-UHFFFAOYSA-N	0	1	376.394	0.533	20	30		GCEDMN
COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1SC	ZINC000771891343	1202168386	/nfs/dbraw/zinc/16/83/86/1202168386.db2.gz	MSGSTGYSUSJJHL-UHFFFAOYSA-N	0	1	398.466	0.127	20	30		GCEDMN
CCCC(Cc1ccccc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771891211	1202168429	/nfs/dbraw/zinc/16/84/29/1202168429.db2.gz	KEWONQIEYUTWCJ-UHFFFAOYSA-N	0	1	378.454	0.761	20	30		GCEDMN
CCO[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(CC)CC	ZINC000771893057	1202168444	/nfs/dbraw/zinc/16/84/44/1202168444.db2.gz	WPTQKHPNVVCREN-ZDUSSCGKSA-N	0	1	386.474	0.334	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(F)c(F)c(F)c1	ZINC000771890754	1202168523	/nfs/dbraw/zinc/16/85/23/1202168523.db2.gz	HQJMKNKHROQDHI-UHFFFAOYSA-N	0	1	390.343	0.204	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=CCCCCOc2ccccc2)c(=O)n(C)c1=O	ZINC000771898127	1202169074	/nfs/dbraw/zinc/16/90/74/1202169074.db2.gz	UOGMUYXWRBRZDI-UHFFFAOYSA-N	0	1	394.453	0.597	20	30		GCEDMN
C[C@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCc1ccccc1	ZINC000771897322	1202169090	/nfs/dbraw/zinc/16/90/90/1202169090.db2.gz	LFDWOCIWIAHKDL-ZDUSSCGKSA-N	0	1	378.454	0.617	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)CC1	ZINC000772109768	1202174850	/nfs/dbraw/zinc/17/48/50/1202174850.db2.gz	JTRDXMNBLUNCMS-IAGOWNOFSA-N	0	1	377.485	0.623	20	30		GCEDMN
C#CCN1CCC(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000772116639	1202174867	/nfs/dbraw/zinc/17/48/67/1202174867.db2.gz	WLRXRAHBQHSJEU-UHFFFAOYSA-N	0	1	376.434	0.720	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1	ZINC000772110405	1202174942	/nfs/dbraw/zinc/17/49/42/1202174942.db2.gz	RZCZANQKMIOQRF-UHFFFAOYSA-N	0	1	393.465	0.469	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1	ZINC000772110416	1202174952	/nfs/dbraw/zinc/17/49/52/1202174952.db2.gz	SGSMGBPNENPILI-UHFFFAOYSA-N	0	1	391.512	0.980	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1	ZINC000772122030	1202174954	/nfs/dbraw/zinc/17/49/54/1202174954.db2.gz	PJTSHZHJVJRLKK-HNNXBMFYSA-N	0	1	379.457	0.564	20	30		GCEDMN
C#CCNC(=O)c1ccccc1NC(=O)C(=NOCC(=O)OCC)c1ccn[nH]1	ZINC000772152065	1202175779	/nfs/dbraw/zinc/17/57/79/1202175779.db2.gz	ORGAZJFAUMBAOJ-UHFFFAOYSA-N	0	1	397.391	0.695	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnn(Cc2ccncc2)c1)c1ccn[nH]1	ZINC000772155619	1202176389	/nfs/dbraw/zinc/17/63/89/1202176389.db2.gz	SRJHGMFIMVDLIU-UHFFFAOYSA-N	0	1	397.395	0.972	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccn[nH]1	ZINC000772225884	1202176807	/nfs/dbraw/zinc/17/68/07/1202176807.db2.gz	JITQINXZHYQHLT-UHFFFAOYSA-N	0	1	398.383	0.190	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC[C@H](CCC(N)=O)C1)c1cc[nH]n1	ZINC000772202731	1202177124	/nfs/dbraw/zinc/17/71/24/1202177124.db2.gz	QLPOXXVEOVHVAX-GFCCVEGCSA-N	0	1	379.417	0.198	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1cc[nH]n1	ZINC000772266994	1202177531	/nfs/dbraw/zinc/17/75/31/1202177531.db2.gz	MHBRZULUXZTCIJ-CYBMUJFWSA-N	0	1	391.428	0.307	20	30		GCEDMN
N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C2CCCCC2)CC1	ZINC000787786966	1205402964	/nfs/dbraw/zinc/40/29/64/1205402964.db2.gz	GAQRGGSDEUHHHR-UHFFFAOYSA-N	0	1	384.484	0.958	20	30		GCEDMN
COC(=O)COc1ccc(C=Nn2c(=O)c(C)n[nH]c2=S)cc1[N+](=O)[O-]	ZINC000788699798	1205428448	/nfs/dbraw/zinc/42/84/48/1205428448.db2.gz	CGFNVGQYMSDOOM-UHFFFAOYSA-N	0	1	379.354	0.578	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccn[nH]1	ZINC000789954793	1205453304	/nfs/dbraw/zinc/45/33/04/1205453304.db2.gz	PQFPBPXMSVYPAQ-UHFFFAOYSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@](C)(O)c1cccs1)c1ccn[nH]1	ZINC000789987673	1205454088	/nfs/dbraw/zinc/45/40/88/1205454088.db2.gz	VRROBKIUDKVXIH-MRXNPFEDSA-N	0	1	380.426	0.779	20	30		GCEDMN
C#CCNC(=O)C1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1	ZINC000792216508	1205485483	/nfs/dbraw/zinc/48/54/83/1205485483.db2.gz	XNACUGPVVUDXPH-UHFFFAOYSA-N	0	1	377.510	0.910	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1	ZINC000793874727	1205508771	/nfs/dbraw/zinc/50/87/71/1205508771.db2.gz	NLMVOISBLBGXPR-KBPBESRZSA-N	0	1	394.497	0.029	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N(CC)CC)[C@@H](n2ccnn2)C1	ZINC001130009616	1205529336	/nfs/dbraw/zinc/52/93/36/1205529336.db2.gz	XSXUMJZPBKKFFT-NCOADZHNSA-N	0	1	390.488	0.079	20	30		GCEDMN
CC#CCN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1	ZINC001130632848	1205557160	/nfs/dbraw/zinc/55/71/60/1205557160.db2.gz	TXGYFNKCIBIYHT-ATLSCFEFSA-N	0	1	387.484	0.141	20	30		GCEDMN
Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2NCC(=O)NCC#N)c1	ZINC001130635050	1205557422	/nfs/dbraw/zinc/55/74/22/1205557422.db2.gz	GTKFNAJYGQRCFG-YUAHOQAQSA-N	0	1	398.511	0.770	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@H]1c1cn(C)cn1	ZINC001130680332	1205559726	/nfs/dbraw/zinc/55/97/26/1205559726.db2.gz	KDKNQCXDFYKSQL-VXIBKDFQSA-N	0	1	385.512	0.736	20	30		GCEDMN
CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NCC#N)C1	ZINC001130680364	1205559745	/nfs/dbraw/zinc/55/97/45/1205559745.db2.gz	MWVHLIQYBWAIKI-XLMAVXFVSA-N	0	1	386.500	0.626	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(CCO)C(C)(C)C2)C1	ZINC000807110502	1205575646	/nfs/dbraw/zinc/57/56/46/1205575646.db2.gz	UVWJSPDHTLGBMS-CABCVRRESA-N	0	1	395.504	0.844	20	30		GCEDMN
Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1NCC(=O)NCC#N	ZINC001130995836	1205585295	/nfs/dbraw/zinc/58/52/95/1205585295.db2.gz	MRLAMTAHXXMAPC-CWQOZTLDSA-N	0	1	396.495	0.546	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@H]1c1cncn1C	ZINC001131073961	1205593641	/nfs/dbraw/zinc/59/36/41/1205593641.db2.gz	RJYHTBLLYJFCKT-BRSBDYLESA-N	0	1	385.512	0.736	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c1	ZINC000747472648	1205604334	/nfs/dbraw/zinc/60/43/34/1205604334.db2.gz	ZXZZXEQCEIQFGO-MRXNPFEDSA-N	0	1	396.432	0.631	20	30		GCEDMN
CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCNc1ncccc1C#N	ZINC000810200555	1205634959	/nfs/dbraw/zinc/63/49/59/1205634959.db2.gz	HBADUGDPMDZAMQ-MRXNPFEDSA-N	0	1	383.456	0.978	20	30		GCEDMN
N#Cc1cccc(C(=O)[N-]S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000810562809	1205639788	/nfs/dbraw/zinc/63/97/88/1205639788.db2.gz	UJKHZDXVVXJTLW-UHFFFAOYSA-N	0	1	385.449	0.746	20	30		GCEDMN
C[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000812345355	1205664267	/nfs/dbraw/zinc/66/42/67/1205664267.db2.gz	YEBYOCNRJWZVGX-QLFBSQMISA-N	0	1	390.509	0.914	20	30		GCEDMN
CC(=[NH+][N-]c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1csc(N)n1	ZINC000812434832	1205664699	/nfs/dbraw/zinc/66/46/99/1205664699.db2.gz	VNWUOTATLVOGEJ-UHFFFAOYSA-N	0	1	395.514	0.893	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1	ZINC000747818631	1205668469	/nfs/dbraw/zinc/66/84/69/1205668469.db2.gz	XKVXJTOFDNAYRZ-NVXWUHKLSA-N	0	1	377.485	0.638	20	30		GCEDMN
CC(C)(C)c1nnc(COC(=O)CN=C2NS(=O)(=O)c3ccccc32)[nH]1	ZINC000814358042	1205690559	/nfs/dbraw/zinc/69/05/59/1205690559.db2.gz	ANFGVZSXJNYZSY-UHFFFAOYSA-N	0	1	377.426	0.884	20	30		GCEDMN
CC(C)(C)c1nc(COC(=O)CN=C2NS(=O)(=O)c3ccccc32)n[nH]1	ZINC000814358042	1205690560	/nfs/dbraw/zinc/69/05/60/1205690560.db2.gz	ANFGVZSXJNYZSY-UHFFFAOYSA-N	0	1	377.426	0.884	20	30		GCEDMN
C=C[C@H](O)C(=O)OCC1=NC(=O)N[C@H](c2ccc(OC)cc2)C1C(=O)OCC	ZINC000814546422	1205693289	/nfs/dbraw/zinc/69/32/89/1205693289.db2.gz	BXQYUFKXTVLHJZ-GOEBONIOSA-N	0	1	390.392	0.956	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C2CC2)c1	ZINC000814883547	1205696523	/nfs/dbraw/zinc/69/65/23/1205696523.db2.gz	QYZGBLJKCRCSCR-UHFFFAOYSA-N	0	1	376.438	0.664	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCOc3c(Cl)cccc32)c(=O)n(C)c1=O	ZINC000814883406	1205696576	/nfs/dbraw/zinc/69/65/76/1205696576.db2.gz	MNYUKHINUIWSRN-UHFFFAOYSA-N	0	1	398.828	0.203	20	30		GCEDMN
C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001172308725	1205715683	/nfs/dbraw/zinc/71/56/83/1205715683.db2.gz	MLJJPVGLQJZSKI-YSSFQJQWSA-N	0	1	394.475	0.653	20	30		GCEDMN
COC(=O)CNC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC001173434253	1205720860	/nfs/dbraw/zinc/72/08/60/1205720860.db2.gz	HDNMRLVNVYCDAA-SFHVURJKSA-N	0	1	398.463	0.916	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@@H]2C[C@@]21C(=O)OCC)c1cc[nH]n1	ZINC001177258384	1205764054	/nfs/dbraw/zinc/76/40/54/1205764054.db2.gz	HYJOGALJMLXIRF-UUHPOGQSSA-N	0	1	378.385	0.248	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1c[nH]c(C(=O)OCC)c1)c1ccn[nH]1	ZINC001177257091	1205764908	/nfs/dbraw/zinc/76/49/08/1205764908.db2.gz	GKCDILCXFMQFOB-STZFKDTASA-N	0	1	377.357	0.837	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1c(C)noc1C(=O)OC)c1ccn[nH]1	ZINC001177256864	1205764992	/nfs/dbraw/zinc/76/49/92/1205764992.db2.gz	ABFWMCPORQJTMH-NDENLUEZSA-N	0	1	379.329	0.415	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2[nH]c(=O)cnc2c1)c1ccn[nH]1	ZINC001177262571	1205765328	/nfs/dbraw/zinc/76/53/28/1205765328.db2.gz	FEVKMKIBCRMCTI-KQWNVCNZSA-N	0	1	384.352	0.569	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccn[nH]1	ZINC001177262575	1205765333	/nfs/dbraw/zinc/76/53/33/1205765333.db2.gz	DYIIXRWNNCBPPK-JWGURIENSA-N	0	1	387.352	0.663	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1)c1ccn[nH]1	ZINC001177263114	1205765486	/nfs/dbraw/zinc/76/54/86/1205765486.db2.gz	OUGQKYXHFCXQNL-WIDXYARISA-N	0	1	387.396	0.468	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2)c1cc[nH]n1	ZINC001177263056	1205765520	/nfs/dbraw/zinc/76/55/20/1205765520.db2.gz	LAVZRAJDEVRSAI-MNAFEPAFSA-N	0	1	386.355	0.720	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H](O)c1cccc(O)c1)c1ccn[nH]1	ZINC001177264085	1205765781	/nfs/dbraw/zinc/76/57/81/1205765781.db2.gz	QXOCTJKDAXUTFQ-PQBIJSQASA-N	0	1	390.396	0.637	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(=O)n(C)c(SC)n1)c1ccn[nH]1	ZINC001177264096	1205765786	/nfs/dbraw/zinc/76/57/86/1205765786.db2.gz	RJAPSDCSFQPUBS-MOSHPQCFSA-N	0	1	394.413	0.148	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@](C)(C(=O)OC)C(F)(F)F)c1ccn[nH]1	ZINC001177265833	1205765794	/nfs/dbraw/zinc/76/57/94/1205765794.db2.gz	CFBWFLHPHOUBME-CROSZVBWSA-N	0	1	394.306	0.304	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cc(-c2ccncc2)n[nH]1)c1ccn[nH]1	ZINC001177263889	1205765905	/nfs/dbraw/zinc/76/59/05/1205765905.db2.gz	JAIMUYKKRNFPEP-UQQQWYQISA-N	0	1	397.395	0.795	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1c(OC)cc(C)[nH]c1=O)c1ccn[nH]1	ZINC001177267517	1205766066	/nfs/dbraw/zinc/76/60/66/1205766066.db2.gz	ZNWLEFJJBPAPBF-JCMHNJIXSA-N	0	1	391.384	0.428	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc2c1cnn2C)c1ccn[nH]1	ZINC001177266675	1205766280	/nfs/dbraw/zinc/76/62/80/1205766280.db2.gz	NLQQBGLZPVDNRO-QJOMJCCJSA-N	0	1	384.396	0.897	20	30		GCEDMN
N#Cc1nccnc1N1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1	ZINC001177343076	1205767161	/nfs/dbraw/zinc/76/71/61/1205767161.db2.gz	YPVYEWIELWFIFZ-UHFFFAOYSA-N	0	1	379.496	0.929	20	30		GCEDMN
CC(C)(C)OC(=O)NC1CCN(CCNC(=O)Cn2cnc(C#N)n2)CC1	ZINC001177588502	1205772557	/nfs/dbraw/zinc/77/25/57/1205772557.db2.gz	ZHALMPBOUPBCDK-UHFFFAOYSA-N	0	1	377.449	0.255	20	30		GCEDMN
CC(=O)N1CC2(C1)CN(C(=O)C(C#N)Cc1cccs1)C[C@H]2C(=O)N(C)C	ZINC001177912798	1205779511	/nfs/dbraw/zinc/77/95/11/1205779511.db2.gz	UEFIQQNRPNIEGR-HOCLYGCPSA-N	0	1	388.493	0.825	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@](C)(O)c1cccc(F)c1)c1ccn[nH]1	ZINC001178265979	1205785049	/nfs/dbraw/zinc/78/50/49/1205785049.db2.gz	QZZWOMSQMJPBMK-SFHVURJKSA-N	0	1	392.387	0.857	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@](C)(O)c1cccc(F)c1)c1ccn[nH]1	ZINC001178265978	1205785166	/nfs/dbraw/zinc/78/51/66/1205785166.db2.gz	QZZWOMSQMJPBMK-GOSISDBHSA-N	0	1	392.387	0.857	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@]1(OC(C)C)CCOC1)c1ccn[nH]1	ZINC001178524391	1205788385	/nfs/dbraw/zinc/78/83/85/1205788385.db2.gz	UDPFKMDZIQVQLC-QGZVFWFLSA-N	0	1	382.417	0.394	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[C@H]1CCCO1	ZINC000773799197	1205801998	/nfs/dbraw/zinc/80/19/98/1205801998.db2.gz	RPKAPBFNTWDKTF-RTBURBONSA-N	0	1	384.480	0.670	20	30		GCEDMN
CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C	ZINC001180784088	1205831758	/nfs/dbraw/zinc/83/17/58/1205831758.db2.gz	CGFMAHLMRANBTB-STQMWFEESA-N	0	1	379.417	0.807	20	30		GCEDMN
CCOC(=O)C(C#N)NC(=O)C1(C(=O)OCC)CN(C(=O)OC(C)(C)C)C1	ZINC001181577113	1205846951	/nfs/dbraw/zinc/84/69/51/1205846951.db2.gz	PQNUMMKAVCVTEJ-LLVKDONJSA-N	0	1	383.401	0.358	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@@H](CN2CCOCC2)c2ccc(C)cc2)CC1	ZINC000774833866	1205916904	/nfs/dbraw/zinc/91/69/04/1205916904.db2.gz	WGNIEBYMTCTYTB-NRFANRHFSA-N	0	1	384.524	0.735	20	30		GCEDMN
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCCNC(=O)C(F)(F)F	ZINC000774887773	1205923341	/nfs/dbraw/zinc/92/33/41/1205923341.db2.gz	HFLBZIQNENBELN-UHFFFAOYSA-N	0	1	393.343	0.337	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1	ZINC000774953880	1205932182	/nfs/dbraw/zinc/93/21/82/1205932182.db2.gz	CIENQDCIDDESAB-VQTJNVASSA-N	0	1	398.507	0.217	20	30		GCEDMN
C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)NC(C)(C)C1=O	ZINC001110385072	1205950053	/nfs/dbraw/zinc/95/00/53/1205950053.db2.gz	KQGXJUYHTPFONN-KFWWJZLASA-N	0	1	378.473	0.631	20	30		GCEDMN
CN1CCN(c2ccccc2C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)CC1	ZINC001186879964	1205950315	/nfs/dbraw/zinc/95/03/15/1205950315.db2.gz	MPJCZXRYZVKMHC-UHFFFAOYSA-N	0	1	392.467	0.423	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1	ZINC001188255857	1205978123	/nfs/dbraw/zinc/97/81/23/1205978123.db2.gz	ULMVHQHOPYWTFQ-DSJMHWKBSA-N	0	1	386.456	0.058	20	30		GCEDMN
C=CCOC[C@H](NS(=O)(=O)C[C@H]1CC[C@H](C(F)(F)F)O1)C(=O)OC	ZINC001189693735	1206014112	/nfs/dbraw/zinc/01/41/12/1206014112.db2.gz	XKEXENIJLXKMKM-OUAUKWLOSA-N	0	1	375.365	0.760	20	30		GCEDMN
Cc1n[nH]c(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1	ZINC001189864453	1206018544	/nfs/dbraw/zinc/01/85/44/1206018544.db2.gz	MQNNRKIXNZGGFW-LJQANCHMSA-N	0	1	396.407	0.259	20	30		GCEDMN
C=CCC1(S(=O)(=O)N2CCn3cc(CN4CCN(C)CC4)nc3C2)CC1	ZINC001190783189	1206047051	/nfs/dbraw/zinc/04/70/51/1206047051.db2.gz	FICVSQWHSYOUHE-UHFFFAOYSA-N	0	1	379.530	0.885	20	30		GCEDMN
COc1cc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)ncc1C#N	ZINC001164872342	721261029	/nfs/dbraw/zinc/26/10/29/721261029.db2.gz	CXGZJQUDKVZHCQ-UHFFFAOYSA-N	0	1	387.484	0.969	20	30		GCEDMN
C#CCCCCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573282358	946691453	/nfs/dbraw/zinc/69/14/53/946691453.db2.gz	IWBHXKCOFRLTNQ-UHFFFAOYSA-N	0	1	383.460	0.089	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573282467	946693395	/nfs/dbraw/zinc/69/33/95/946693395.db2.gz	JFTBFZDOMLTUDZ-STQMWFEESA-N	0	1	383.460	0.307	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573282464	946693481	/nfs/dbraw/zinc/69/34/81/946693481.db2.gz	JFTBFZDOMLTUDZ-CHWSQXEVSA-N	0	1	383.460	0.307	20	30		GCEDMN
C#CCN(C(=O)c1ccnnc1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1	ZINC001573282679	946695210	/nfs/dbraw/zinc/69/52/10/946695210.db2.gz	LFIAMAPMIBOXJK-UHFFFAOYSA-N	0	1	389.423	0.796	20	30		GCEDMN
C#CCN(C(=O)c1cnco1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573282931	946702208	/nfs/dbraw/zinc/70/22/08/946702208.db2.gz	NRMLTLNCYCZYQH-UHFFFAOYSA-N	0	1	379.384	0.389	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573287099	946825638	/nfs/dbraw/zinc/82/56/38/946825638.db2.gz	FAKJPDVDGCYEOD-SWLSCSKDSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573287097	946826895	/nfs/dbraw/zinc/82/68/95/946826895.db2.gz	FAKJPDVDGCYEOD-DOMZBBRYSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)nc1	ZINC001573287748	946846179	/nfs/dbraw/zinc/84/61/79/946846179.db2.gz	KUKQJSJAYJZWGB-CQSZACIVSA-N	0	1	389.423	0.562	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)nc1	ZINC001573288171	946858416	/nfs/dbraw/zinc/85/84/16/946858416.db2.gz	PNPRZZSCPLXCDP-CQSZACIVSA-N	0	1	389.423	0.774	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)nc1	ZINC001573288166	946859409	/nfs/dbraw/zinc/85/94/09/946859409.db2.gz	PNPRZZSCPLXCDP-AWEZNQCLSA-N	0	1	389.423	0.774	20	30		GCEDMN
C#Cc1ccccc1CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1	ZINC001573289780	946892919	/nfs/dbraw/zinc/89/29/19/946892919.db2.gz	CTAZZOBBLBAVKH-MRXNPFEDSA-N	0	1	388.435	0.609	20	30		GCEDMN
C#Cc1ccccc1CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1	ZINC001573289774	946893659	/nfs/dbraw/zinc/89/36/59/946893659.db2.gz	CTAZZOBBLBAVKH-INIZCTEOSA-N	0	1	388.435	0.609	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)c1	ZINC001573291335	946916468	/nfs/dbraw/zinc/91/64/68/946916468.db2.gz	ZNJAPKSWBXXPHL-FZMZJTMJSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1	ZINC001573291875	946924897	/nfs/dbraw/zinc/92/48/97/946924897.db2.gz	LIXZJOYUVOWRHK-HIFRSBDPSA-N	0	1	389.423	0.466	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573294399	946987344	/nfs/dbraw/zinc/98/73/44/946987344.db2.gz	FAIQCKONBQDYGB-QKRUXVEJSA-N	0	1	383.456	0.972	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566581	947026791	/nfs/dbraw/zinc/02/67/91/947026791.db2.gz	DIHZLSCUUMUOEJ-ZBEGNZNMSA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573566581	947026803	/nfs/dbraw/zinc/02/68/03/947026803.db2.gz	DIHZLSCUUMUOEJ-ZBEGNZNMSA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567948	947060293	/nfs/dbraw/zinc/06/02/93/947060293.db2.gz	VFQPFYHXHNCNDV-KPZWWZAWSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573568192	947068488	/nfs/dbraw/zinc/06/84/88/947068488.db2.gz	ZDIBHLYFWRXKIC-NEPJUHHUSA-N	0	1	375.458	0.795	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573568192	947068494	/nfs/dbraw/zinc/06/84/94/947068494.db2.gz	ZDIBHLYFWRXKIC-NEPJUHHUSA-N	0	1	375.458	0.795	20	30		GCEDMN
C=C1CC(C)(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573300535	947114847	/nfs/dbraw/zinc/11/48/47/947114847.db2.gz	YOKMDJYTSZZKNQ-ZDUSSCGKSA-N	0	1	384.444	0.464	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC1(CO)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573575274	947136416	/nfs/dbraw/zinc/13/64/16/947136416.db2.gz	WRHZOSFGGCABAL-LBPRGKRZSA-N	0	1	387.419	0.609	20	30		GCEDMN
C=CC(C)(C)CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573306827	947175736	/nfs/dbraw/zinc/17/57/36/947175736.db2.gz	NJZPTNPJOMZUCX-UHFFFAOYSA-N	0	1	386.460	0.707	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1OC	ZINC001573309256	947194342	/nfs/dbraw/zinc/19/43/42/947194342.db2.gz	FXEQLFJMFRNSJE-MDZRGWNJSA-N	0	1	386.456	0.509	20	30		GCEDMN
CCOC(=O)Cc1csc(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)n1	ZINC000825517757	947210422	/nfs/dbraw/zinc/21/04/22/947210422.db2.gz	LNTLBBGOVPRIMD-UHFFFAOYSA-N	0	1	387.385	0.136	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F	ZINC001573584288	947216093	/nfs/dbraw/zinc/21/60/93/947216093.db2.gz	SQMFRRTZBNRUFV-ZJUUUORDSA-N	0	1	377.359	0.394	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1	ZINC001573584469	947225331	/nfs/dbraw/zinc/22/53/31/947225331.db2.gz	WMNDBMOXYLQNNH-DOMZBBRYSA-N	0	1	387.419	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)NCc1ccc(CCNc2ccnc(-c3nn[nH]n3)n2)cc1	ZINC001573585140	947246871	/nfs/dbraw/zinc/24/68/71/947246871.db2.gz	LFBUXSCRPGPOLJ-GFCCVEGCSA-N	0	1	377.412	0.509	20	30		GCEDMN
C=CCC1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCOCC1	ZINC001573325638	947360982	/nfs/dbraw/zinc/36/09/82/947360982.db2.gz	FPLHWCIXRVVBHC-UHFFFAOYSA-N	0	1	384.444	0.512	20	30		GCEDMN
CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000825892016	947362844	/nfs/dbraw/zinc/36/28/44/947362844.db2.gz	BVFKROCTPJLNFA-UHFFFAOYSA-N	0	1	399.802	0.685	20	30		GCEDMN
C=CCCCN1CC(n2cc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)nn2)C1	ZINC001573334928	947467742	/nfs/dbraw/zinc/46/77/42/947467742.db2.gz	JRSLMOSSIPXOIN-UHFFFAOYSA-N	0	1	382.432	0.539	20	30		GCEDMN
C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573336568	947509084	/nfs/dbraw/zinc/50/90/84/947509084.db2.gz	PAYJABJQBCJBAQ-MELADBBJSA-N	0	1	386.460	0.757	20	30		GCEDMN
C=CCOCC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573343066	947552310	/nfs/dbraw/zinc/55/23/10/947552310.db2.gz	IYRIYLBQTFSNSV-GOSISDBHSA-N	0	1	390.419	0.261	20	30		GCEDMN
C=CCn1cc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1	ZINC001573347282	947571368	/nfs/dbraw/zinc/57/13/68/947571368.db2.gz	BKTBTXZYXUHJSP-GFCCVEGCSA-N	0	1	380.416	0.178	20	30		GCEDMN
C=CCOCCCC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573348994	947588928	/nfs/dbraw/zinc/58/89/28/947588928.db2.gz	XSKLWFGWVMVAKK-UONOGXRCSA-N	0	1	386.460	0.710	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C	ZINC001573350735	947601484	/nfs/dbraw/zinc/60/14/84/947601484.db2.gz	FJPSQWZEKJNNFU-TUVASFSCSA-N	0	1	398.471	0.826	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cn(-c2ccc(F)c(Cl)c2)nn1	ZINC000826383364	948182068	/nfs/dbraw/zinc/18/20/68/948182068.db2.gz	XJTQWUQJPXRXAR-UHFFFAOYSA-N	0	1	385.754	0.939	20	30		GCEDMN
CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(C#N)[nH]1	ZINC001573818164	949721650	/nfs/dbraw/zinc/72/16/50/949721650.db2.gz	HIFGWIJLTDTVGC-LBPRGKRZSA-N	0	1	380.416	0.535	20	30		GCEDMN
C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575889886	949936453	/nfs/dbraw/zinc/93/64/53/949936453.db2.gz	UPDLCNAIDALYIQ-ZWNOBZJWSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575892085	950047989	/nfs/dbraw/zinc/04/79/89/950047989.db2.gz	RHHSQRDIHDNLLF-CMPLNLGQSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575892087	950050907	/nfs/dbraw/zinc/05/09/07/950050907.db2.gz	RHHSQRDIHDNLLF-PWSUYJOCSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576184013	950110367	/nfs/dbraw/zinc/11/03/67/950110367.db2.gz	VCDHZSXYLHAZDT-RISCZKNCSA-N	0	1	392.427	0.631	20	30		GCEDMN
CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(C#N)[nH]1	ZINC001574159671	950313328	/nfs/dbraw/zinc/31/33/28/950313328.db2.gz	XTYBHODGZIRMOD-GFCCVEGCSA-N	0	1	380.416	0.535	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H](O)C1	ZINC001573854014	950336953	/nfs/dbraw/zinc/33/69/53/950336953.db2.gz	WQFDJWLOMADNMM-ONGXEEELSA-N	0	1	387.404	0.311	20	30		GCEDMN
CC(C)(C)S(=O)(=O)N1CCC(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1	ZINC001573876232	950661220	/nfs/dbraw/zinc/66/12/20/950661220.db2.gz	GQWDJVWZQOQMNW-UHFFFAOYSA-N	0	1	391.461	0.533	20	30		GCEDMN
COCCN(Cc1ccc2c(c1)OCO2)c1cnc(C#N)c(-c2nn[nH]n2)n1	ZINC001571153982	952689557	/nfs/dbraw/zinc/68/95/57/952689557.db2.gz	XRXJGXDURFISDY-UHFFFAOYSA-N	0	1	380.368	0.910	20	30		GCEDMN
Cc1ccc(C(=O)N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)s1	ZINC001571182825	952869792	/nfs/dbraw/zinc/86/97/92/952869792.db2.gz	GSBBNIPYSOHYLS-UHFFFAOYSA-N	0	1	381.425	0.861	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3ccncc3-c3nn[nH]n3)CC2)C1	ZINC001571200705	953010703	/nfs/dbraw/zinc/01/07/03/953010703.db2.gz	KBJNWOIAACDEGD-ZDUSSCGKSA-N	0	1	382.428	0.619	20	30		GCEDMN
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@]2(C(=O)[O-])CCOC2)CC1	ZINC001594602536	956148215	/nfs/dbraw/zinc/14/82/15/956148215.db2.gz	XOXNLUCUPHYRTA-CXAGYDPISA-N	0	1	378.454	0.290	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CC(=O)[O-])CC2)o1	ZINC001574418051	961334735	/nfs/dbraw/zinc/33/47/35/961334735.db2.gz	IHFAGYCOIUNREH-CQSZACIVSA-N	0	1	375.429	0.833	20	30		GCEDMN
CC[C@@](COC)([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(=O)[O-]	ZINC001595194452	979900179	/nfs/dbraw/zinc/90/01/79/979900179.db2.gz	GAHBPXSQUMUKMQ-KDOFPFPSSA-N	0	1	394.497	0.926	20	30		GCEDMN
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)cc1	ZINC001589334376	986200662	/nfs/dbraw/zinc/20/06/62/986200662.db2.gz	CHWAORABQDHEFG-CHWSQXEVSA-N	0	1	394.453	0.852	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC(=NNCCC[NH+]2CCOCC2)C[C@H](C(=O)[O-])C1	ZINC001589909484	988637097	/nfs/dbraw/zinc/63/70/97/988637097.db2.gz	KDWSTYRFBIZAOE-AWEZNQCLSA-N	0	1	384.477	0.996	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC(=NNCCC[NH+]2CCOCC2)C[C@@H](C(=O)[O-])C1	ZINC001589909485	988637319	/nfs/dbraw/zinc/63/73/19/988637319.db2.gz	KDWSTYRFBIZAOE-CQSZACIVSA-N	0	1	384.477	0.996	20	30		GCEDMN
C[N@H+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C(=O)[O-])C1	ZINC001598616114	993883238	/nfs/dbraw/zinc/88/32/38/993883238.db2.gz	NQENCNYVTARDJD-OAHLLOKOSA-N	0	1	382.424	0.631	20	30		GCEDMN
COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778897	995961452	/nfs/dbraw/zinc/96/14/52/995961452.db2.gz	QEXIHFZOQWBJBR-DZGCQCFKSA-N	0	1	380.422	0.670	20	30		GCEDMN
COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778897	995961458	/nfs/dbraw/zinc/96/14/58/995961458.db2.gz	QEXIHFZOQWBJBR-DZGCQCFKSA-N	0	1	380.422	0.670	20	30		GCEDMN
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@H+]1CCC(=O)[O-]	ZINC001594462846	999676683	/nfs/dbraw/zinc/67/66/83/999676683.db2.gz	PJQMWDLLBOSHKX-GOEBONIOSA-N	0	1	384.436	0.919	20	30		GCEDMN
C=CCn1c(-c2cccs2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414220578	530140813	/nfs/dbraw/zinc/14/08/13/530140813.db2.gz	KDVFQFTWCBBBQU-VIFPVBQESA-N	0	1	383.455	0.810	20	30		GCEDMN
C[C@@H](NCCn1cnc(C#N)n1)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000560583177	530177611	/nfs/dbraw/zinc/17/76/11/530177611.db2.gz	SKXDMLITZIWIJX-SECBINFHSA-N	0	1	399.274	0.910	20	30		GCEDMN
CN(C)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C#N	ZINC000566630422	530285095	/nfs/dbraw/zinc/28/50/95/530285095.db2.gz	VGAMHYXDPWCBTI-UHFFFAOYSA-N	0	1	388.515	0.449	20	30		GCEDMN
CN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C#N)cc1	ZINC000566748594	530289277	/nfs/dbraw/zinc/28/92/77/530289277.db2.gz	POXYOYKIMWOCNN-UHFFFAOYSA-N	0	1	388.515	0.449	20	30		GCEDMN
CN1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000451403561	530254658	/nfs/dbraw/zinc/25/46/58/530254658.db2.gz	ZZKXINJTECQUPY-CYBMUJFWSA-N	0	1	392.250	0.805	20	30		GCEDMN
CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1	ZINC000331235527	530544238	/nfs/dbraw/zinc/54/42/38/530544238.db2.gz	LUWNBRACSHXTRD-CQSZACIVSA-N	0	1	389.547	0.783	20	30		GCEDMN
CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000451067255	530572598	/nfs/dbraw/zinc/57/25/98/530572598.db2.gz	YVELYKSKTXEUKQ-UHFFFAOYSA-N	0	1	384.889	0.801	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(C)C)cc1	ZINC000573103876	530574646	/nfs/dbraw/zinc/57/46/46/530574646.db2.gz	FRIDLYJMPBTXIQ-STQMWFEESA-N	0	1	388.515	0.448	20	30		GCEDMN
CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCN1C[C@@H](C)O	ZINC000329562477	530615029	/nfs/dbraw/zinc/61/50/29/530615029.db2.gz	NEDNVMXNQCASHN-RBSFLKMASA-N	0	1	376.523	0.101	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(CC)c1C	ZINC000349455571	530637837	/nfs/dbraw/zinc/63/78/37/530637837.db2.gz	HTSSXVDNFWETJS-UHFFFAOYSA-N	0	1	376.504	0.697	20	30		GCEDMN
CC(C)[C@H]1CN(C)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000329864631	530621888	/nfs/dbraw/zinc/62/18/88/530621888.db2.gz	ZUCPQBWEYYEFGO-CQSZACIVSA-N	0	1	378.564	0.551	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000268221084	530681702	/nfs/dbraw/zinc/68/17/02/530681702.db2.gz	WKZBUMJNZCEMLB-JTQLQIEISA-N	0	1	379.410	0.539	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000268222558	530681913	/nfs/dbraw/zinc/68/19/13/530681913.db2.gz	WKZBUMJNZCEMLB-SNVBAGLBSA-N	0	1	379.410	0.539	20	30		GCEDMN
CC[C@@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N	ZINC000349476585	530647511	/nfs/dbraw/zinc/64/75/11/530647511.db2.gz	HNHJOKHCVFTDCV-LSDHHAIUSA-N	0	1	394.563	0.296	20	30		GCEDMN
CN(CC(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1	ZINC000349508807	530665261	/nfs/dbraw/zinc/66/52/61/530665261.db2.gz	ZQKXRKBMYPMASC-UHFFFAOYSA-N	0	1	377.492	0.363	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1	ZINC000349532296	530676528	/nfs/dbraw/zinc/67/65/28/530676528.db2.gz	BJWOBMPMKNCNPU-OLZOCXBDSA-N	0	1	392.503	0.205	20	30		GCEDMN
C=CCN1C(=O)N=NC1S[C@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)C(C)C	ZINC000470829671	530696907	/nfs/dbraw/zinc/69/69/07/530696907.db2.gz	DTEBKJXOGUXHPG-XHDPSFHLSA-N	0	1	388.515	0.980	20	30		GCEDMN
C=CCN1C(=O)N=NC1S[C@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(C)C	ZINC000470829670	530697178	/nfs/dbraw/zinc/69/71/78/530697178.db2.gz	DTEBKJXOGUXHPG-NHYWBVRUSA-N	0	1	388.515	0.980	20	30		GCEDMN
N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cnc[nH]2)C1	ZINC000578787318	530735650	/nfs/dbraw/zinc/73/56/50/530735650.db2.gz	KYYYOOBOZUGHLG-NWDGAFQWSA-N	0	1	375.476	0.543	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000510754624	530819303	/nfs/dbraw/zinc/81/93/03/530819303.db2.gz	VQXXFDGRSBTLPZ-CVEARBPZSA-N	0	1	385.511	0.782	20	30		GCEDMN
N#Cc1cc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)ccc1Br	ZINC000600070251	530821337	/nfs/dbraw/zinc/82/13/37/530821337.db2.gz	JEILDYHPLHZFCB-GFCCVEGCSA-N	0	1	381.230	0.442	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1ccc(OCC(F)(F)F)nn1	ZINC000653487664	530842554	/nfs/dbraw/zinc/84/25/54/530842554.db2.gz	HDAFIFHSWFPQTC-UHFFFAOYSA-N	0	1	379.320	0.875	20	30		GCEDMN
CN(C)CCN(CCOCCO)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000443325175	530898189	/nfs/dbraw/zinc/89/81/89/530898189.db2.gz	VZHJNZOIHZPIEX-UHFFFAOYSA-N	0	1	375.878	0.773	20	30		GCEDMN
N#CC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC(F)(F)F)C1	ZINC000349480912	530877083	/nfs/dbraw/zinc/87/70/83/530877083.db2.gz	LUEBNSXFVGBROP-UHFFFAOYSA-N	0	1	383.373	0.671	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)ccn1	ZINC000349502886	530883515	/nfs/dbraw/zinc/88/35/15/530883515.db2.gz	RLVIVOCHDAQYLM-CQSZACIVSA-N	0	1	390.462	0.211	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCCS(=O)(=O)N1CCCC1	ZINC000349567917	530892843	/nfs/dbraw/zinc/89/28/43/530892843.db2.gz	RPXUGVQKROGZHB-UHFFFAOYSA-N	0	1	389.503	0.722	20	30		GCEDMN
CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000443309297	530896710	/nfs/dbraw/zinc/89/67/10/530896710.db2.gz	FFTVTKURJWNIBZ-UHFFFAOYSA-N	0	1	375.878	0.773	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)NC1CC=CC1	ZINC000349586445	530897225	/nfs/dbraw/zinc/89/72/25/530897225.db2.gz	BJEQLQFZKYVAED-UHFFFAOYSA-N	0	1	387.487	0.544	20	30		GCEDMN
C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1)N(C)C	ZINC000517041389	530957647	/nfs/dbraw/zinc/95/76/47/530957647.db2.gz	PNEXHANTQQWRGR-LBPRGKRZSA-N	0	1	386.499	0.249	20	30		GCEDMN
CN(C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000499111369	530941746	/nfs/dbraw/zinc/94/17/46/530941746.db2.gz	UKBBHLVOKXKNNZ-HNNXBMFYSA-N	0	1	385.511	0.688	20	30		GCEDMN
CC(C)[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1	ZINC000566487052	531198989	/nfs/dbraw/zinc/19/89/89/531198989.db2.gz	SMZYWOYKGOTFLU-HNNXBMFYSA-N	0	1	388.515	0.353	20	30		GCEDMN
N#Cc1cccnc1N1CC[NH+](CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1	ZINC000739141913	599710309	/nfs/dbraw/zinc/71/03/09/599710309.db2.gz	DNAMEPCFFUMSNC-WJDWOHSUSA-N	0	1	387.465	0.967	20	30		GCEDMN
CN(CC(=O)[O-])C(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000737401351	600159315	/nfs/dbraw/zinc/15/93/15/600159315.db2.gz	MTLQNQSXJWMMKJ-UHFFFAOYSA-N	0	1	387.396	0.861	20	30		GCEDMN
C#CCNC(=O)C[N@H+]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736078611	600389442	/nfs/dbraw/zinc/38/94/42/600389442.db2.gz	CGWWOHXTPLKGBT-FNORWQNLSA-N	0	1	386.408	0.954	20	30		GCEDMN
C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736078611	600389443	/nfs/dbraw/zinc/38/94/43/600389443.db2.gz	CGWWOHXTPLKGBT-FNORWQNLSA-N	0	1	386.408	0.954	20	30		GCEDMN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1	ZINC000825631685	601170431	/nfs/dbraw/zinc/17/04/31/601170431.db2.gz	JADLLMNQWPARCO-CYBMUJFWSA-N	0	1	391.399	0.784	20	30		GCEDMN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1	ZINC000830059743	601172476	/nfs/dbraw/zinc/17/24/76/601172476.db2.gz	KXHSTELDROWILA-ZDUSSCGKSA-N	0	1	388.424	0.903	20	30		GCEDMN
N#CCN1CCC(Nc2nc[nH+]c(NC3CCN(CC#N)CC3)c2C(=O)[O-])CC1	ZINC000833066818	604460660	/nfs/dbraw/zinc/46/06/60/604460660.db2.gz	IKFLPLCVYMKFDA-UHFFFAOYSA-N	0	1	398.471	0.975	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)CC1	ZINC000833466459	605192889	/nfs/dbraw/zinc/19/28/89/605192889.db2.gz	GNIXXQQXDYKUNU-DLBZAZTESA-N	0	1	379.505	0.160	20	30		GCEDMN
CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1-c1nn[nH]n1	ZINC000821978161	606280795	/nfs/dbraw/zinc/28/07/95/606280795.db2.gz	KFELQKOGUBUFIX-JTQLQIEISA-N	0	1	388.457	0.655	20	30		GCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857873	606699110	/nfs/dbraw/zinc/69/91/10/606699110.db2.gz	WIJYKYOKAKCKGO-APPDUMDISA-N	0	1	388.480	0.479	20	30		GCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857873	606699112	/nfs/dbraw/zinc/69/91/12/606699112.db2.gz	WIJYKYOKAKCKGO-APPDUMDISA-N	0	1	388.480	0.479	20	30		GCEDMN
N#CCN1CCC(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1	ZINC000822811357	606890951	/nfs/dbraw/zinc/89/09/51/606890951.db2.gz	XRWCBWXBWPYJOI-UHFFFAOYSA-N	0	1	383.384	0.411	20	30		GCEDMN
CSc1[nH]c(=O)c(C(=O)N(CCC#N)CCC[NH+](C)C)cc1-c1nn[n-]n1	ZINC000821970977	606912843	/nfs/dbraw/zinc/91/28/43/606912843.db2.gz	UZBGCUBRZZSVBG-UHFFFAOYSA-N	0	1	390.473	0.997	20	30		GCEDMN
C#CCOCCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000823850279	607880958	/nfs/dbraw/zinc/88/09/58/607880958.db2.gz	MKECEDYFEPKYQW-UHFFFAOYSA-N	0	1	397.395	0.803	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC#N)c1-c1nnn[n-]1	ZINC000826082763	608021458	/nfs/dbraw/zinc/02/14/58/608021458.db2.gz	AJQHAHHVBAEURW-UHFFFAOYSA-N	0	1	381.400	0.896	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC#N)c1-c1nn[n-]n1	ZINC000826082763	608021459	/nfs/dbraw/zinc/02/14/59/608021459.db2.gz	AJQHAHHVBAEURW-UHFFFAOYSA-N	0	1	381.400	0.896	20	30		GCEDMN
Cc1oc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c(-c2nn[nH]n2)c1C	ZINC000826341544	608035347	/nfs/dbraw/zinc/03/53/47/608035347.db2.gz	KDNJQEOYDQSOPS-UHFFFAOYSA-N	0	1	398.431	0.757	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000825934682	608035585	/nfs/dbraw/zinc/03/55/85/608035585.db2.gz	PTGDOLLVACQPAR-AWEZNQCLSA-N	0	1	380.416	0.135	20	30		GCEDMN
COc1cc(C#N)ccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000826176985	608036401	/nfs/dbraw/zinc/03/64/01/608036401.db2.gz	MPAQUVLJJXCMMC-UHFFFAOYSA-N	0	1	397.443	0.996	20	30		GCEDMN
COc1cc(C#N)ccc1OCC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000826176985	608036402	/nfs/dbraw/zinc/03/64/02/608036402.db2.gz	MPAQUVLJJXCMMC-UHFFFAOYSA-N	0	1	397.443	0.996	20	30		GCEDMN
COc1cc(C#N)ccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000826176985	608036403	/nfs/dbraw/zinc/03/64/03/608036403.db2.gz	MPAQUVLJJXCMMC-UHFFFAOYSA-N	0	1	397.443	0.996	20	30		GCEDMN
COc1cc(C#N)ccc1OCC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000826176985	608036404	/nfs/dbraw/zinc/03/64/04/608036404.db2.gz	MPAQUVLJJXCMMC-UHFFFAOYSA-N	0	1	397.443	0.996	20	30		GCEDMN
C#CCOCCNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823856168	608130837	/nfs/dbraw/zinc/13/08/37/608130837.db2.gz	LMAICRZAYRVLJE-UHFFFAOYSA-N	0	1	383.456	0.734	20	30		GCEDMN
C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2Br)CC1	ZINC000729281600	639175688	/nfs/dbraw/zinc/17/56/88/639175688.db2.gz	JJRHVMDFEPDYDX-UHFFFAOYSA-N	0	1	382.262	0.378	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2c(Cl)cccc2Cl)c(=O)n(C)c1=O	ZINC000771891317	640835107	/nfs/dbraw/zinc/83/51/07/640835107.db2.gz	LRULZWKGETXZPL-UHFFFAOYSA-N	0	1	391.236	0.703	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O	ZINC000771892275	640835399	/nfs/dbraw/zinc/83/53/99/640835399.db2.gz	OXTLPMOCTSWJIT-UHFFFAOYSA-N	0	1	391.236	0.703	20	30		GCEDMN
COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(Cl)c1	ZINC000771898841	640835834	/nfs/dbraw/zinc/83/58/34/640835834.db2.gz	VAAXGMURKNQBKL-UHFFFAOYSA-N	0	1	386.817	0.058	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2csc(C(F)(F)F)c2)c(=O)n(C)c1=O	ZINC000863103762	641224516	/nfs/dbraw/zinc/22/45/16/641224516.db2.gz	JNKIKEFCFXMWQQ-UHFFFAOYSA-N	0	1	396.372	0.477	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O	ZINC000783522678	641270296	/nfs/dbraw/zinc/27/02/96/641270296.db2.gz	XOSPDNJCQBXDNK-MRVPVSSYSA-N	0	1	382.364	0.471	20	30		GCEDMN
CC(N=Nc1nccn1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000790302293	641410683	/nfs/dbraw/zinc/41/06/83/641410683.db2.gz	OPBURGFBEUZOFZ-UHFFFAOYSA-N	0	1	385.471	0.982	20	30		GCEDMN
CC(=N[N-]c1[nH+]ccn1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000790302293	641410693	/nfs/dbraw/zinc/41/06/93/641410693.db2.gz	OPBURGFBEUZOFZ-UHFFFAOYSA-N	0	1	385.471	0.982	20	30		GCEDMN
C#CC[C@H](CO)NS(=O)(=O)c1sc(C(=O)OC)cc1Br	ZINC000882341983	641712495	/nfs/dbraw/zinc/71/24/95/641712495.db2.gz	TYQRDRXBXTXKLJ-SSDOTTSWSA-N	0	1	382.257	0.960	20	30		GCEDMN
C=CCN(CC(=O)OCC)C(=O)CNS(=O)(=O)c1c(F)cccc1F	ZINC000810737917	641737721	/nfs/dbraw/zinc/73/77/21/641737721.db2.gz	PRSCZZYGCRFKIU-UHFFFAOYSA-N	0	1	376.381	0.821	20	30		GCEDMN
C#CCSCCNC(=O)C1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000933340093	642016839	/nfs/dbraw/zinc/01/68/39/642016839.db2.gz	AFMSKJCWBKWKGN-GFCCVEGCSA-N	0	1	376.500	0.503	20	30		GCEDMN
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834504477	642213857	/nfs/dbraw/zinc/21/38/57/642213857.db2.gz	BTLKIRSTAFCBBK-SNPRPXQTSA-N	0	1	382.511	0.314	20	30		GCEDMN
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834504479	642213892	/nfs/dbraw/zinc/21/38/92/642213892.db2.gz	BTLKIRSTAFCBBK-VHDGCEQUSA-N	0	1	382.511	0.314	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1	ZINC000841229148	642291773	/nfs/dbraw/zinc/29/17/73/642291773.db2.gz	IXVVZYZLKWTFOX-GWCFXTLKSA-N	0	1	395.261	0.914	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000843459793	642370234	/nfs/dbraw/zinc/37/02/34/642370234.db2.gz	IHICMHHFNFEBNO-PRHODGIISA-N	0	1	377.253	0.499	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F	ZINC000843461129	642370406	/nfs/dbraw/zinc/37/04/06/642370406.db2.gz	SFDHFGMGOHUZCC-KOLCDFICSA-N	0	1	376.360	0.211	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O	ZINC000843464009	642371019	/nfs/dbraw/zinc/37/10/19/642371019.db2.gz	YXBBZMORUHFDCB-TVQRCGJNSA-N	0	1	391.225	0.663	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1	ZINC000843461750	642371034	/nfs/dbraw/zinc/37/10/34/642371034.db2.gz	NBNWTCUYOLZCCP-QWRGUYRKSA-N	0	1	386.524	0.327	20	30		GCEDMN
C#C[C@H](CO)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000867342757	642390548	/nfs/dbraw/zinc/39/05/48/642390548.db2.gz	CLUNXPNOXJVIMF-DGIBIBHMSA-N	0	1	381.273	0.734	20	30		GCEDMN
C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848957878	642568953	/nfs/dbraw/zinc/56/89/53/642568953.db2.gz	FDFIXLXUNVRQSP-UHFFFAOYSA-N	0	1	392.890	0.689	20	30		GCEDMN
C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C)ncc1C	ZINC000848958021	642569888	/nfs/dbraw/zinc/56/98/88/642569888.db2.gz	HYEJPSRTKDXXLS-UHFFFAOYSA-N	0	1	385.511	0.680	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]cc1SC	ZINC000848960806	642583119	/nfs/dbraw/zinc/58/31/19/642583119.db2.gz	JFGMDBSOGDVORM-SNVBAGLBSA-N	0	1	380.517	0.547	20	30		GCEDMN
C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848962862	642591128	/nfs/dbraw/zinc/59/11/28/642591128.db2.gz	ATODKVHLDIVNPU-JTQLQIEISA-N	0	1	380.879	0.593	20	30		GCEDMN
C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1)C(C)C	ZINC000848963619	642595037	/nfs/dbraw/zinc/59/50/37/642595037.db2.gz	XFIFDSCRQDGVEB-NSHDSACASA-N	0	1	394.906	0.839	20	30		GCEDMN
N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cncc(Cl)n2)C1	ZINC000848969559	642620102	/nfs/dbraw/zinc/62/01/02/642620102.db2.gz	SBXBFYIUQLOGPY-UHFFFAOYSA-N	0	1	393.878	0.437	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCO[C@@](C)(C#N)C2)CC1	ZINC000893494413	1192164731	/nfs/dbraw/zinc/16/47/31/1192164731.db2.gz	NCBCNPNQKWEZHS-IBGZPJMESA-N	0	1	379.505	0.937	20	30		GCEDMN
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCC(=O)NCC#N)CC1	ZINC000511900562	1192192586	/nfs/dbraw/zinc/19/25/86/1192192586.db2.gz	HXURTNQFQFUCEJ-CQSZACIVSA-N	0	1	390.463	0.968	20	30		GCEDMN
C[C@H](NC(=O)NCC(=O)NCC#N)c1cc(F)ccc1N1CCN(C)CC1	ZINC000511908893	1192203240	/nfs/dbraw/zinc/20/32/40/1192203240.db2.gz	FTDXKSFURGGZPO-ZDUSSCGKSA-N	0	1	376.436	0.577	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1	ZINC000662168136	1192251565	/nfs/dbraw/zinc/25/15/65/1192251565.db2.gz	ZCGQBEKDYMORST-OAHLLOKOSA-N	0	1	397.497	0.055	20	30		GCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000662168200	1192251627	/nfs/dbraw/zinc/25/16/27/1192251627.db2.gz	XMWCEEMXLFZSRP-HZPDHXFCSA-N	0	1	381.498	0.353	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccn[nH]1	ZINC000278856620	1192256735	/nfs/dbraw/zinc/25/67/35/1192256735.db2.gz	WYRXCRNWDQCPTD-AUVCURRJSA-N	0	1	376.413	0.767	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(OC)c(O)c1)c1ccn[nH]1	ZINC000278871596	1192313852	/nfs/dbraw/zinc/31/38/52/1192313852.db2.gz	XWJDGCXTTGJCSJ-LTGZKZEYSA-N	0	1	376.369	0.724	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c1ccn[nH]1	ZINC000278880914	1192324105	/nfs/dbraw/zinc/32/41/05/1192324105.db2.gz	YOROZWKANPCADX-JALQTOONSA-N	0	1	397.432	0.723	20	30		GCEDMN
COc1cccc([C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N(C)C)c1	ZINC000585688059	1192370204	/nfs/dbraw/zinc/37/02/04/1192370204.db2.gz	VGEHEISWYLUHHF-SFHVURJKSA-N	0	1	387.484	0.518	20	30		GCEDMN
Cc1[nH]ncc1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000585727687	1192397755	/nfs/dbraw/zinc/39/77/55/1192397755.db2.gz	BZRCFEQTGFENPP-UHFFFAOYSA-N	0	1	383.412	0.420	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)c1cc[nH]n1	ZINC000279624149	1192565852	/nfs/dbraw/zinc/56/58/52/1192565852.db2.gz	HZAZSTWYTXQUGJ-JTMWAVNUSA-N	0	1	394.428	0.488	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1)c1cc[nH]n1	ZINC000279815231	1192607898	/nfs/dbraw/zinc/60/78/98/1192607898.db2.gz	DHUDGVKHMNQXQS-VZGUEMQISA-N	0	1	380.401	0.100	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418961304	1192702190	/nfs/dbraw/zinc/70/21/90/1192702190.db2.gz	JNPHFHFJWAIMNL-QZTJIDSGSA-N	0	1	397.479	0.376	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418961303	1192702292	/nfs/dbraw/zinc/70/22/92/1192702292.db2.gz	JNPHFHFJWAIMNL-MSOLQXFVSA-N	0	1	397.479	0.376	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000894100278	1192918469	/nfs/dbraw/zinc/91/84/69/1192918469.db2.gz	YFBGPNQTUDZKOZ-LJQANCHMSA-N	0	1	398.511	0.942	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1	ZINC000577549614	1184119235	/nfs/dbraw/zinc/11/92/35/1184119235.db2.gz	SUIQLTJBJZIMPT-INIZCTEOSA-N	0	1	392.481	0.017	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000274737116	1184234922	/nfs/dbraw/zinc/23/49/22/1184234922.db2.gz	DUSNIIKWFCAPOA-WDEREUQCSA-N	0	1	377.430	0.000	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)CC1	ZINC000246089224	1184465753	/nfs/dbraw/zinc/46/57/53/1184465753.db2.gz	NOCNLUNCVNTHAH-CEXWTWQISA-N	0	1	377.533	0.331	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(C)CC2)cc1	ZINC000275215718	1184555745	/nfs/dbraw/zinc/55/57/45/1184555745.db2.gz	GTFXKPISCUYBDM-UHFFFAOYSA-N	0	1	394.497	0.596	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000430389577	1184638514	/nfs/dbraw/zinc/63/85/14/1184638514.db2.gz	RAOAQNJZKCORCT-OKZBNKHCSA-N	0	1	379.501	0.655	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000430398985	1184656897	/nfs/dbraw/zinc/65/68/97/1184656897.db2.gz	DZAPKMYEKGZWEI-JZXOWHBKSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000430402619	1184660697	/nfs/dbraw/zinc/66/06/97/1184660697.db2.gz	MTQNWXABTGVCFM-LZLYRXPVSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1	ZINC000430417603	1184701402	/nfs/dbraw/zinc/70/14/02/1184701402.db2.gz	XAYBGYKOEKYZNT-ROUUACIJSA-N	0	1	379.501	0.655	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000458022497	1184940128	/nfs/dbraw/zinc/94/01/28/1184940128.db2.gz	MGGDIFFUBPPLSD-NSHDSACASA-N	0	1	390.469	0.957	20	30		GCEDMN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)CCO2)n1	ZINC000328728068	1185225283	/nfs/dbraw/zinc/22/52/83/1185225283.db2.gz	GQMLFHHSFLEFPM-HOTGVXAUSA-N	0	1	399.517	0.396	20	30		GCEDMN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)CCO2)n1	ZINC000328728067	1185225731	/nfs/dbraw/zinc/22/57/31/1185225731.db2.gz	GQMLFHHSFLEFPM-CVEARBPZSA-N	0	1	399.517	0.396	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1cn2ccccc2n1)c1ccn[nH]1	ZINC000276476394	1185835739	/nfs/dbraw/zinc/83/57/39/1185835739.db2.gz	DJSWSPMWTFIOJC-HAVVHWLPSA-N	0	1	384.396	0.700	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1cc[nH]n1	ZINC000276559292	1185899012	/nfs/dbraw/zinc/89/90/12/1185899012.db2.gz	IUXUZNVZTPEKLS-SPZKXHQHSA-N	0	1	390.400	0.791	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CC(N)=O)C1CCCCC1)c1ccn[nH]1	ZINC000276588679	1185917620	/nfs/dbraw/zinc/91/76/20/1185917620.db2.gz	MSHSGZCHGKNVLN-WYOZQYPVSA-N	0	1	393.444	0.634	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccn[nH]1	ZINC000276644139	1185933726	/nfs/dbraw/zinc/93/37/26/1185933726.db2.gz	VLUREDNIBIWJMC-MQTUIEQJSA-N	0	1	386.412	0.484	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)OCC)CC1)c1ccn[nH]1	ZINC000276747961	1186015315	/nfs/dbraw/zinc/01/53/15/1186015315.db2.gz	VNJUPKDYIMKXMN-RCCKNPSSSA-N	0	1	395.416	0.431	20	30		GCEDMN
COCCN1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000610806160	1186227140	/nfs/dbraw/zinc/22/71/40/1186227140.db2.gz	VCEJWNCEMLRVCC-HOCLYGCPSA-N	0	1	394.497	0.452	20	30		GCEDMN
COCCN1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000610806139	1186227438	/nfs/dbraw/zinc/22/74/38/1186227438.db2.gz	TYEZMELLWYYPQH-GDBMZVCRSA-N	0	1	394.497	0.452	20	30		GCEDMN
C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(CCC#N)CCN1CCOCC1	ZINC000471979799	1186235553	/nfs/dbraw/zinc/23/55/53/1186235553.db2.gz	PEGPQDAGLMUDEA-OAHLLOKOSA-N	0	1	398.467	0.756	20	30		GCEDMN
Cc1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1S(=O)(=O)NCC#N	ZINC000511032865	1186335761	/nfs/dbraw/zinc/33/57/61/1186335761.db2.gz	SASHWRFRKPMXCR-OAHLLOKOSA-N	0	1	393.513	0.163	20	30		GCEDMN
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1	ZINC000111556787	1186535168	/nfs/dbraw/zinc/53/51/68/1186535168.db2.gz	ASZWWRFVUTWQRM-GOSISDBHSA-N	0	1	387.459	0.732	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)OC)CC1)c1ccn[nH]1	ZINC000277895776	1186667472	/nfs/dbraw/zinc/66/74/72/1186667472.db2.gz	COLRPOQFVMIMGF-XSFVSMFZSA-N	0	1	381.389	0.041	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)COCC(F)(F)F)c1ccn[nH]1	ZINC000277914591	1186690809	/nfs/dbraw/zinc/69/08/09/1186690809.db2.gz	DQMJMQWQAPFNEX-QOZWTWKZSA-N	0	1	380.323	0.777	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CCOC)Cc1ccccn1)c1cc[nH]n1	ZINC000277958039	1186721519	/nfs/dbraw/zinc/72/15/19/1186721519.db2.gz	HPMSACBFVMGNSJ-OQKWZONESA-N	0	1	389.412	0.764	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C)c1ccn[nH]1	ZINC000278108669	1186785914	/nfs/dbraw/zinc/78/59/14/1186785914.db2.gz	BTMZINRKBCOUFN-QBVBAIGUSA-N	0	1	396.444	0.376	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@@H](OCC)[C@]12CCCO2)c1ccn[nH]1	ZINC000278288318	1186873357	/nfs/dbraw/zinc/87/33/57/1186873357.db2.gz	BRAKVZKMANJIML-PPJSMOCVSA-N	0	1	394.428	0.536	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N([C@@H](C)C(=O)OC)C1CCC1)c1cc[nH]n1	ZINC000278348023	1186902462	/nfs/dbraw/zinc/90/24/62/1186902462.db2.gz	OJQLFCVUZYJTAJ-QCHJOQBPSA-N	0	1	380.401	0.636	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)Cc1ncnn1CC(F)F)c1cc[nH]n1	ZINC000278476399	1186956224	/nfs/dbraw/zinc/95/62/24/1186956224.db2.gz	AAIMIVLVIOPABD-HYARGMPZSA-N	0	1	399.358	0.209	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nnc[nH]2)cc1	ZINC000583944646	1186965647	/nfs/dbraw/zinc/96/56/47/1186965647.db2.gz	RUTKAMISDQIMLS-LLVKDONJSA-N	0	1	398.470	0.158	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCSC2(CCOCC2)C1)c1cc[nH]n1	ZINC000278642685	1187004292	/nfs/dbraw/zinc/00/42/92/1187004292.db2.gz	NAIWOXCXQJYDRD-HMMYKYKNSA-N	0	1	396.469	0.818	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CC)[C@@H](O)C(F)(F)F)c1ccn[nH]1	ZINC000278654680	1187008011	/nfs/dbraw/zinc/00/80/11/1187008011.db2.gz	NSXVUZHZHFKZAW-PWULTRPRSA-N	0	1	380.323	0.512	20	30		GCEDMN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCC[C@H](n2cncn2)C1	ZINC000329799740	1187054147	/nfs/dbraw/zinc/05/41/47/1187054147.db2.gz	HSMZFMWDRDFKHQ-KRWDZBQOSA-N	0	1	389.504	0.773	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1O	ZINC001023919682	1187171615	/nfs/dbraw/zinc/17/16/15/1187171615.db2.gz	WUCUKFMBZAALQH-FAJBIJEISA-N	0	1	393.528	0.778	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1O	ZINC001023942662	1187180648	/nfs/dbraw/zinc/18/06/48/1187180648.db2.gz	JDXFWCCWACZRPG-ZDRJDWQYSA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1O	ZINC001023942136	1187182124	/nfs/dbraw/zinc/18/21/24/1187182124.db2.gz	MLQZOUSERPYJDR-OFSOMGBPSA-N	0	1	385.424	0.241	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc3nc[nH]c32)C1	ZINC001024083162	1187235768	/nfs/dbraw/zinc/23/57/68/1187235768.db2.gz	XYCCNKVAWPUCHI-OFSOMGBPSA-N	0	1	385.424	0.241	20	30		GCEDMN
COC(=O)[C@H]1CN(C)CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000413894164	1187568446	/nfs/dbraw/zinc/56/84/46/1187568446.db2.gz	CEKYIXPZRQBBGB-ROUUACIJSA-N	0	1	398.463	0.612	20	30		GCEDMN
C=CCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000685799773	1187571775	/nfs/dbraw/zinc/57/17/75/1187571775.db2.gz	DPSDAJXEPAHIHG-HOTGVXAUSA-N	0	1	396.513	0.685	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ncc1C#N	ZINC000580568397	1187691190	/nfs/dbraw/zinc/69/11/90/1187691190.db2.gz	FILSPPREMYWOJP-ROUUACIJSA-N	0	1	393.447	0.952	20	30		GCEDMN
CN1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C#N)n3)cn2)CC1	ZINC000581724931	1187718174	/nfs/dbraw/zinc/71/81/74/1187718174.db2.gz	IJXNNTLSPSBIAB-UHFFFAOYSA-N	0	1	379.424	0.355	20	30		GCEDMN
CN(C)CC(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000066620233	1187754118	/nfs/dbraw/zinc/75/41/18/1187754118.db2.gz	JPUQLURZXVDKAU-UHFFFAOYSA-N	0	1	399.495	0.946	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC1	ZINC000613502783	1187771435	/nfs/dbraw/zinc/77/14/35/1187771435.db2.gz	AIJLSGGEHJABGQ-MRXNPFEDSA-N	0	1	394.497	0.948	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1	ZINC001025292526	1187938876	/nfs/dbraw/zinc/93/88/76/1187938876.db2.gz	VHTMJKDZFFOTKE-TVFCKZIOSA-N	0	1	379.501	0.387	20	30		GCEDMN
N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CNC(CO)CO)CCCC2	ZINC000580208478	1187950334	/nfs/dbraw/zinc/95/03/34/1187950334.db2.gz	DGMPKULLRISYCL-CQSZACIVSA-N	0	1	376.457	0.299	20	30		GCEDMN
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1C#N	ZINC000415327437	1188035913	/nfs/dbraw/zinc/03/59/13/1188035913.db2.gz	JBAYPBHETDPWIZ-OAHLLOKOSA-N	0	1	383.452	0.476	20	30		GCEDMN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000415334621	1188038630	/nfs/dbraw/zinc/03/86/30/1188038630.db2.gz	RNLPAGGITCJZQL-MRXNPFEDSA-N	0	1	383.452	0.476	20	30		GCEDMN
CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1C	ZINC000378021366	1189408658	/nfs/dbraw/zinc/40/86/58/1189408658.db2.gz	ZKCNKXBNBBSPLM-UHFFFAOYSA-N	0	1	385.409	0.638	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[n-]2)C1	ZINC001104782801	1189435676	/nfs/dbraw/zinc/43/56/76/1189435676.db2.gz	ULPGFDJLAFECNV-AIANPOQGSA-N	0	1	377.489	0.664	20	30		GCEDMN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(O)(CN2CCOCC2)CC1	ZINC000378423311	1189502409	/nfs/dbraw/zinc/50/24/09/1189502409.db2.gz	BKHZWFSAYAJIOO-QGZVFWFLSA-N	0	1	378.517	0.877	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1	ZINC000364377364	1189773333	/nfs/dbraw/zinc/77/33/33/1189773333.db2.gz	OJQFDCWZTQUAQQ-HZPDHXFCSA-N	0	1	377.466	0.191	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1	ZINC000364377363	1189773379	/nfs/dbraw/zinc/77/33/79/1189773379.db2.gz	OJQFDCWZTQUAQQ-HOTGVXAUSA-N	0	1	377.466	0.191	20	30		GCEDMN
CCN(CC)CCN(C(=O)Cc1noc(C)c1C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000500349317	1189785724	/nfs/dbraw/zinc/78/57/24/1189785724.db2.gz	PVBMEQNFOXYCDN-CQSZACIVSA-N	0	1	382.486	0.755	20	30		GCEDMN
C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(C#N)cc1	ZINC000419296938	1193791788	/nfs/dbraw/zinc/79/17/88/1193791788.db2.gz	YHADZLSOXKQOSS-CRAIPNDOSA-N	0	1	397.479	0.406	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1OCC	ZINC000982766505	1193890193	/nfs/dbraw/zinc/89/01/93/1193890193.db2.gz	NEVYKCZDMSUQQU-MXASKKJJSA-N	0	1	376.457	0.523	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](OCC)C1	ZINC000982950650	1194220678	/nfs/dbraw/zinc/22/06/78/1194220678.db2.gz	CSVPUEFDMONCFP-BARDWOONSA-N	0	1	377.445	0.379	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](OCC)C1	ZINC000982950650	1194220682	/nfs/dbraw/zinc/22/06/82/1194220682.db2.gz	CSVPUEFDMONCFP-BARDWOONSA-N	0	1	377.445	0.379	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)c(C#N)cn1CC	ZINC000421211200	1194306090	/nfs/dbraw/zinc/30/60/90/1194306090.db2.gz	IBVBETSOJAIRGB-ZDUSSCGKSA-N	0	1	387.440	0.848	20	30		GCEDMN
CCN(CC)CCN(C(=O)CNc1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1	ZINC000503497461	1194681725	/nfs/dbraw/zinc/68/17/25/1194681725.db2.gz	QNWHGBXTYCYWFP-INIZCTEOSA-N	0	1	393.513	0.723	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)c1	ZINC000504200305	1194762926	/nfs/dbraw/zinc/76/29/26/1194762926.db2.gz	ADUYUSLNDNZECK-UHFFFAOYSA-N	0	1	388.409	0.443	20	30		GCEDMN
N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C[C@]12C(=O)Nc1ccccc12	ZINC000423557052	1194763456	/nfs/dbraw/zinc/76/34/56/1194763456.db2.gz	HNXAWOMZYGGHCC-MBIULKOWSA-N	0	1	393.447	0.211	20	30		GCEDMN
C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000423647764	1194777536	/nfs/dbraw/zinc/77/75/36/1194777536.db2.gz	BUZYFMHKIOFXCO-OAHLLOKOSA-N	0	1	392.463	0.575	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)NC[C@@H]3C)CC2)c1C#N	ZINC000423651366	1194779400	/nfs/dbraw/zinc/77/94/00/1194779400.db2.gz	MAJKIRSCTJZBIL-NEPJUHHUSA-N	0	1	376.486	0.181	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000423722748	1194788979	/nfs/dbraw/zinc/78/89/79/1194788979.db2.gz	PXPXGUZRPWFVAX-PDSXEYIOSA-N	0	1	395.463	0.459	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000423740553	1194790854	/nfs/dbraw/zinc/79/08/54/1194790854.db2.gz	JEAYPDOYWWFLBK-MRXNPFEDSA-N	0	1	387.459	0.946	20	30		GCEDMN
COCCN(CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001269643874	1194813066	/nfs/dbraw/zinc/81/30/66/1194813066.db2.gz	BIDKWBVPKCSDDN-ZACQAIPSSA-N	0	1	378.473	0.133	20	30		GCEDMN
COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)CC1=O	ZINC000425317172	1194909587	/nfs/dbraw/zinc/90/95/87/1194909587.db2.gz	MUBQKDOZOJOFTQ-HNNXBMFYSA-N	0	1	376.432	0.535	20	30		GCEDMN
COCC(C)(C)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000425323146	1194914683	/nfs/dbraw/zinc/91/46/83/1194914683.db2.gz	KMFIUKUFGJVDQA-UHFFFAOYSA-N	0	1	394.497	0.406	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)CCNC[C@@H](O)COc2ccc(F)cc2)nc1	ZINC000515169738	1194951520	/nfs/dbraw/zinc/95/15/20/1194951520.db2.gz	UQIMWDABFPKRAG-OAHLLOKOSA-N	0	1	379.413	0.896	20	30		GCEDMN
COc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1S(N)(=O)=O	ZINC000515833934	1195000361	/nfs/dbraw/zinc/00/03/61/1195000361.db2.gz	CUMKIMGLABQMEX-OAHLLOKOSA-N	0	1	391.449	0.744	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OCC	ZINC000983371942	1195032811	/nfs/dbraw/zinc/03/28/11/1195032811.db2.gz	DCINMGIPWNYGRA-NRSFXHEJSA-N	0	1	390.484	0.913	20	30		GCEDMN
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCCN2CCC[C@H]2C(N)=O)c1	ZINC000473583229	1195161923	/nfs/dbraw/zinc/16/19/23/1195161923.db2.gz	QDXHNICVZIBXJP-ROUUACIJSA-N	0	1	397.479	0.505	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)N1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001270292339	1195177383	/nfs/dbraw/zinc/17/73/83/1195177383.db2.gz	OMJCYGFJWAGJKJ-SCLBCKFNSA-N	0	1	375.450	0.659	20	30		GCEDMN
COCC[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000518606926	1195309373	/nfs/dbraw/zinc/30/93/73/1195309373.db2.gz	MKRSPCXXFZPMHG-OAHLLOKOSA-N	0	1	380.470	0.016	20	30		GCEDMN
N#CC1CCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1	ZINC000550028224	1195400011	/nfs/dbraw/zinc/40/00/11/1195400011.db2.gz	JSVJXSLYQDOKFU-UHFFFAOYSA-N	0	1	383.496	0.683	20	30		GCEDMN
Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1C#N	ZINC000427214966	1195516945	/nfs/dbraw/zinc/51/69/45/1195516945.db2.gz	GHTWONQNOWIQEC-UHFFFAOYSA-N	0	1	387.421	0.668	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](c4nccn4C)C3)CC2)o1	ZINC000520423751	1195632435	/nfs/dbraw/zinc/63/24/35/1195632435.db2.gz	JSNPKQQMUGZXPZ-HNNXBMFYSA-N	0	1	383.456	0.726	20	30		GCEDMN
CN1CCC[C@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000328813206	1195665951	/nfs/dbraw/zinc/66/59/51/1195665951.db2.gz	FUZIECJTHWECSF-WBVHZDCISA-N	0	1	388.516	0.884	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)NC[C@]1(N3CCOCC3)CCSC1)CC2	ZINC000328817616	1195666309	/nfs/dbraw/zinc/66/63/09/1195666309.db2.gz	OYLIZPJUDUHIJG-RHSMWYFYSA-N	0	1	380.518	0.613	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@]1(N3CCOCC3)CCSC1)CC2	ZINC000328817616	1195666311	/nfs/dbraw/zinc/66/63/11/1195666311.db2.gz	OYLIZPJUDUHIJG-RHSMWYFYSA-N	0	1	380.518	0.613	20	30		GCEDMN
CN1C(=O)N[C@@H]2CN(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)CC[C@@H]21	ZINC000328947382	1195677691	/nfs/dbraw/zinc/67/76/91/1195677691.db2.gz	BMIGFTFOCWJFMH-CVEARBPZSA-N	0	1	387.488	0.550	20	30		GCEDMN
CC[C@@H]1CN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CCN1CCOC	ZINC000330434013	1195688383	/nfs/dbraw/zinc/68/83/83/1195688383.db2.gz	PPFBRDDRARRABI-MRXNPFEDSA-N	0	1	390.550	0.615	20	30		GCEDMN
CCC[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCN1CCOC	ZINC000330583993	1195696794	/nfs/dbraw/zinc/69/67/94/1195696794.db2.gz	WBYYYKDNWCMPRA-MRXNPFEDSA-N	0	1	390.550	0.757	20	30		GCEDMN
CC[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCN1C[C@@H](C)O	ZINC000330662946	1195699979	/nfs/dbraw/zinc/69/99/79/1195699979.db2.gz	WSIBWOUCONFULW-HIFRSBDPSA-N	0	1	384.502	0.917	20	30		GCEDMN
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1	ZINC000330703869	1195703972	/nfs/dbraw/zinc/70/39/72/1195703972.db2.gz	QKPOBWLBMUYRCF-AWEZNQCLSA-N	0	1	397.501	0.567	20	30		GCEDMN
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)CN1CC[NH+](C)CC1	ZINC000266850028	1195757777	/nfs/dbraw/zinc/75/77/77/1195757777.db2.gz	WXACLACXWKRICM-QGZVFWFLSA-N	0	1	385.516	0.668	20	30		GCEDMN
Cc1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)NCC#N	ZINC000521757372	1196015963	/nfs/dbraw/zinc/01/59/63/1196015963.db2.gz	MCFZCGIJWFOMTK-HNNXBMFYSA-N	0	1	393.513	0.163	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000521859174	1196020789	/nfs/dbraw/zinc/02/07/89/1196020789.db2.gz	IGTZMJAJVFOODJ-UHFFFAOYSA-N	0	1	395.441	0.367	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1	ZINC000328688485	1196057470	/nfs/dbraw/zinc/05/74/70/1196057470.db2.gz	CQKVEYWBLANXSF-JKSUJKDBSA-N	0	1	388.534	0.369	20	30		GCEDMN
CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@H]3CCN(C)C[C@H]32)c1	ZINC000329020742	1196156661	/nfs/dbraw/zinc/15/66/61/1196156661.db2.gz	LXHLUVDPYFCXGH-SJORKVTESA-N	0	1	396.513	0.930	20	30		GCEDMN
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1	ZINC000329094292	1196163187	/nfs/dbraw/zinc/16/31/87/1196163187.db2.gz	BFEOLWUEJWKVFE-GPMSIDNRSA-N	0	1	380.489	0.477	20	30		GCEDMN
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1	ZINC000329094296	1196163333	/nfs/dbraw/zinc/16/33/33/1196163333.db2.gz	BFEOLWUEJWKVFE-MDZRGWNJSA-N	0	1	380.489	0.477	20	30		GCEDMN
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCC[C@](O)(C(=O)N3CCCC3)C1)CC2	ZINC000329100452	1196163681	/nfs/dbraw/zinc/16/36/81/1196163681.db2.gz	ZKZXCDNAYOROAK-HNAYVOBHSA-N	0	1	390.488	0.512	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)CC2	ZINC000329130921	1196166840	/nfs/dbraw/zinc/16/68/40/1196166840.db2.gz	OQJPQYBDYLOTQH-PBFPGSCMSA-N	0	1	386.460	0.501	20	30		GCEDMN
CCN1CCN([C@H]2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)CC1	ZINC000329192653	1196174306	/nfs/dbraw/zinc/17/43/06/1196174306.db2.gz	SZCWHVUKRLABKO-INIZCTEOSA-N	0	1	395.529	0.460	20	30		GCEDMN
CCN1CCN([C@@H]2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C2)CC1	ZINC000329198049	1196175012	/nfs/dbraw/zinc/17/50/12/1196175012.db2.gz	WMSOHEJXUJPHQG-MRXNPFEDSA-N	0	1	395.529	0.460	20	30		GCEDMN
Cc1oc2ncn(C)c(=O)c2c1C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1	ZINC000329210432	1196177014	/nfs/dbraw/zinc/17/70/14/1196177014.db2.gz	ZMZQSASQHBXBKW-CYBMUJFWSA-N	0	1	387.440	0.835	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)[C@@H](C)C1	ZINC000329261222	1196180836	/nfs/dbraw/zinc/18/08/36/1196180836.db2.gz	AUIKLWAETUNNQG-YESZJQIVSA-N	0	1	381.521	0.968	20	30		GCEDMN
C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329289407	1196182782	/nfs/dbraw/zinc/18/27/82/1196182782.db2.gz	QIJGTNCKKCSJPN-LSDHHAIUSA-N	0	1	387.550	0.083	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)[C@H](C)C1	ZINC000329308804	1196184340	/nfs/dbraw/zinc/18/43/40/1196184340.db2.gz	ADYQRWLWRQZSRW-QLFBSQMISA-N	0	1	388.534	0.244	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)CC2	ZINC000329317555	1196185222	/nfs/dbraw/zinc/18/52/22/1196185222.db2.gz	HYNZKGAKTBXZEB-CYBMUJFWSA-N	0	1	398.533	0.986	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1=O	ZINC000329336834	1196186792	/nfs/dbraw/zinc/18/67/92/1196186792.db2.gz	PLBXVDGDHXHDFT-QGZVFWFLSA-N	0	1	383.452	0.940	20	30		GCEDMN
CC(C)c1nnc2n1C[C@@H](NC([O-])=[NH+]C[C@H]1CCCN1S(C)(=O)=O)CC2	ZINC000329350325	1196187863	/nfs/dbraw/zinc/18/78/63/1196187863.db2.gz	SYECEOWFHRHMIQ-QWHCGFSZSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)CC2	ZINC000329350325	1196187865	/nfs/dbraw/zinc/18/78/65/1196187865.db2.gz	SYECEOWFHRHMIQ-QWHCGFSZSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1	ZINC000329352794	1196188302	/nfs/dbraw/zinc/18/83/02/1196188302.db2.gz	UTYPADKZASGYFX-CVEARBPZSA-N	0	1	392.504	0.776	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)CC2	ZINC000329364032	1196189326	/nfs/dbraw/zinc/18/93/26/1196189326.db2.gz	ZXIUKMZQOILOTA-CABCVRRESA-N	0	1	390.488	0.954	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1	ZINC000329425108	1196194531	/nfs/dbraw/zinc/19/45/31/1196194531.db2.gz	ISZBOEXTHONKCJ-ZDUSSCGKSA-N	0	1	381.502	0.580	20	30		GCEDMN
COCCN1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000329641396	1196214574	/nfs/dbraw/zinc/21/45/74/1196214574.db2.gz	ZTLCEXMEACQSJR-OAHLLOKOSA-N	0	1	397.501	0.023	20	30		GCEDMN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)CCO2)n1	ZINC000329716558	1196225951	/nfs/dbraw/zinc/22/59/51/1196225951.db2.gz	WPIQBDKIOQPBHW-HOTGVXAUSA-N	0	1	384.502	0.940	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@@H]1C	ZINC000329716811	1196225996	/nfs/dbraw/zinc/22/59/96/1196225996.db2.gz	WXEGBTADPXZWFT-SOUVJXGZSA-N	0	1	388.534	0.244	20	30		GCEDMN
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H]1CCCN(c3nccn(C)c3=O)C1)CC2	ZINC000329716859	1196226472	/nfs/dbraw/zinc/22/64/72/1196226472.db2.gz	WZEJTLSPGRYWFZ-UONOGXRCSA-N	0	1	386.460	0.168	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCN(c3nccn(C)c3=O)C1)CC2	ZINC000329716859	1196226474	/nfs/dbraw/zinc/22/64/74/1196226474.db2.gz	WZEJTLSPGRYWFZ-UONOGXRCSA-N	0	1	386.460	0.168	20	30		GCEDMN
Cc1nc2cncc(N3CCN(C([O-])=[NH+][C@@H]4CCc5[nH]cnc5C4)CC3)n2n1	ZINC000329749623	1196229355	/nfs/dbraw/zinc/22/93/55/1196229355.db2.gz	UJGFRTLYZVBTES-CYBMUJFWSA-N	0	1	381.444	0.749	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](Cn3cccn3)C1)CC2	ZINC000329774662	1196230896	/nfs/dbraw/zinc/23/08/96/1196230896.db2.gz	MKJMEPQUNBJQBZ-ZIAGYGMSSA-N	0	1	375.433	0.251	20	30		GCEDMN
CCCN1CCC(NC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CC1	ZINC000329948776	1196241717	/nfs/dbraw/zinc/24/17/17/1196241717.db2.gz	ZJUCSXMAIWCATH-MRXNPFEDSA-N	0	1	383.518	0.980	20	30		GCEDMN
CCCN1CCC(NC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)CC1	ZINC000329948775	1196241788	/nfs/dbraw/zinc/24/17/88/1196241788.db2.gz	ZJUCSXMAIWCATH-INIZCTEOSA-N	0	1	383.518	0.980	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000330094380	1196252297	/nfs/dbraw/zinc/25/22/97/1196252297.db2.gz	STHUSDUDURJXJG-RDTXWAMCSA-N	0	1	395.504	0.399	20	30		GCEDMN
C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCN1C	ZINC000330162178	1196257224	/nfs/dbraw/zinc/25/72/24/1196257224.db2.gz	UILUIPQJUPKYDK-KGLIPLIRSA-N	0	1	397.501	0.672	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)CC2	ZINC000330208741	1196259857	/nfs/dbraw/zinc/25/98/57/1196259857.db2.gz	GZNVZIRIWRVYAW-OLZOCXBDSA-N	0	1	384.506	0.596	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000280990619	1196269234	/nfs/dbraw/zinc/26/92/34/1196269234.db2.gz	CIBQHDUTHMHVIA-INIZCTEOSA-N	0	1	388.468	0.575	20	30		GCEDMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1	ZINC000487453071	1196288720	/nfs/dbraw/zinc/28/87/20/1196288720.db2.gz	BZYNUXRXLYIWPV-CWRNSKLLSA-N	0	1	381.498	0.713	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)N1CCOCC1	ZINC000330339812	1196291093	/nfs/dbraw/zinc/29/10/93/1196291093.db2.gz	XDLXPWIQPAZNAM-CABCVRRESA-N	0	1	393.492	0.285	20	30		GCEDMN
C=CCN1CC[C@H](N(C)C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)C1=O	ZINC000281370283	1196291870	/nfs/dbraw/zinc/29/18/70/1196291870.db2.gz	OLDWVJSOFXHING-CVEARBPZSA-N	0	1	392.452	0.940	20	30		GCEDMN
CCN(C(=O)c1[nH]nc2c1CN(C(=O)[C@H](CS)NC(C)=O)CC2)C(C)C	ZINC001271271634	1196293011	/nfs/dbraw/zinc/29/30/11/1196293011.db2.gz	BGNPZYCQRROJEM-AWEZNQCLSA-N	0	1	381.502	0.599	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000458024125	1196800664	/nfs/dbraw/zinc/80/06/64/1196800664.db2.gz	NUKUSEFCRGXBMR-LLVKDONJSA-N	0	1	390.469	0.957	20	30		GCEDMN
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]2COCCN2)CC1	ZINC000529372128	1196918271	/nfs/dbraw/zinc/91/82/71/1196918271.db2.gz	DGTCZEOAILDITK-ZDUSSCGKSA-N	0	1	386.412	0.626	20	30		GCEDMN
C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000451929746	1197024640	/nfs/dbraw/zinc/02/46/40/1197024640.db2.gz	QCBUUASDUSWUJL-WMZOPIPTSA-N	0	1	378.498	0.909	20	30		GCEDMN
CCO[C@@H]1COC[C@H]1NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000451947544	1197027862	/nfs/dbraw/zinc/02/78/62/1197027862.db2.gz	PNRIBVBQFJTSBB-BZUAXINKSA-N	0	1	378.498	0.850	20	30		GCEDMN
COC(=O)Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1C	ZINC000475841890	1197287715	/nfs/dbraw/zinc/28/77/15/1197287715.db2.gz	XGUDAHJDZYYBAE-UHFFFAOYSA-N	0	1	379.354	0.945	20	30		GCEDMN
CC(C)CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(C#N)cc1	ZINC000532499836	1197319901	/nfs/dbraw/zinc/31/99/01/1197319901.db2.gz	PUYYJSDVSAIUFC-UHFFFAOYSA-N	0	1	383.452	0.879	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)n(CCC#N)n1	ZINC000533467378	1197453438	/nfs/dbraw/zinc/45/34/38/1197453438.db2.gz	DGNQTESAVJQXQB-HUUCEWRRSA-N	0	1	376.461	0.659	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2CN2CCOCC2)CC1	ZINC000246209006	1197455329	/nfs/dbraw/zinc/45/53/29/1197455329.db2.gz	YLOSJYCRPMQJOH-OALUTQOASA-N	0	1	377.533	0.475	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000729709680	1197477506	/nfs/dbraw/zinc/47/75/06/1197477506.db2.gz	MYUKYSWDLASBQC-LJQANCHMSA-N	0	1	396.407	0.842	20	30		GCEDMN
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](C)c1nc(-c2ccc(C#N)cn2)no1	ZINC001212048838	1197479138	/nfs/dbraw/zinc/47/91/38/1197479138.db2.gz	CGDSFCHVLYGPLW-FZMZJTMJSA-N	0	1	385.428	0.670	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)c1	ZINC000999810696	1198975231	/nfs/dbraw/zinc/97/52/31/1198975231.db2.gz	YIUVMDMWBUFPAU-DSPQJCBJSA-N	0	1	379.424	0.986	20	30		GCEDMN
C=C[C@@H](COC)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC001116640136	1199075256	/nfs/dbraw/zinc/07/52/56/1199075256.db2.gz	HZKXMAHFEAGFKC-NSHDSACASA-N	0	1	378.472	0.936	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000065588273	1199332725	/nfs/dbraw/zinc/33/27/25/1199332725.db2.gz	ZNOSYXLLPWEKNG-UHFFFAOYSA-N	0	1	378.436	0.960	20	30		GCEDMN
CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000065975148	1199371483	/nfs/dbraw/zinc/37/14/83/1199371483.db2.gz	IJULNBKPRQNLBB-UHFFFAOYSA-N	0	1	389.481	0.748	20	30		GCEDMN
CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000067413410	1199519563	/nfs/dbraw/zinc/51/95/63/1199519563.db2.gz	HYZQWMYHMXMFKL-INIZCTEOSA-N	0	1	388.472	0.351	20	30		GCEDMN
CC(=O)NC[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000067413410	1199519568	/nfs/dbraw/zinc/51/95/68/1199519568.db2.gz	HYZQWMYHMXMFKL-INIZCTEOSA-N	0	1	388.472	0.351	20	30		GCEDMN
Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)CN(C)C)CC3)CC2)o1	ZINC000328721534	1199821667	/nfs/dbraw/zinc/82/16/67/1199821667.db2.gz	WWTFTNGWLWBIQZ-UHFFFAOYSA-N	0	1	388.472	0.304	20	30		GCEDMN
COCCNC(=O)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000625052167	1199896407	/nfs/dbraw/zinc/89/64/07/1199896407.db2.gz	BJGFVVLCYBQORR-UHFFFAOYSA-N	0	1	383.448	0.761	20	30		GCEDMN
Cc1ccc(-c2n[nH]c(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)n2)cc1	ZINC000028789424	1199936556	/nfs/dbraw/zinc/93/65/56/1199936556.db2.gz	AVHRDAQKQWPJEJ-UHFFFAOYSA-N	0	1	394.395	0.815	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCc2cnn(CC)c2)C[C@@H]1O	ZINC001083848583	1200001268	/nfs/dbraw/zinc/00/12/68/1200001268.db2.gz	LRQIMSMKXAUPRJ-RDGPPVDQSA-N	0	1	376.501	0.978	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C(C)C)n2)C[C@@H]1O	ZINC001083848723	1200004983	/nfs/dbraw/zinc/00/49/83/1200004983.db2.gz	UVNMRSHWGAKBSA-IVSAIRAKSA-N	0	1	377.489	0.961	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)c1	ZINC001005594087	1200380559	/nfs/dbraw/zinc/38/05/59/1200380559.db2.gz	YIUVMDMWBUFPAU-FIRUKDTASA-N	0	1	379.424	0.986	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCc4n[nH]nc42)C3)c1	ZINC001005594088	1200380909	/nfs/dbraw/zinc/38/09/09/1200380909.db2.gz	YIUVMDMWBUFPAU-NCZKRNLISA-N	0	1	379.424	0.986	20	30		GCEDMN
NC(=O)c1cn(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)nn1	ZINC000625812372	1200730064	/nfs/dbraw/zinc/73/00/64/1200730064.db2.gz	NIKHYBRCAQPCQO-UHFFFAOYSA-N	0	1	392.419	0.314	20	30		GCEDMN
CCN(CC)CCN(C(=O)CNc1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1	ZINC000503497462	1200884467	/nfs/dbraw/zinc/88/44/67/1200884467.db2.gz	QNWHGBXTYCYWFP-MRXNPFEDSA-N	0	1	393.513	0.723	20	30		GCEDMN
COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1	ZINC000560229479	1200994261	/nfs/dbraw/zinc/99/42/61/1200994261.db2.gz	ASJKLJCIIIGADS-KRWDZBQOSA-N	0	1	398.467	1.471	20	30		GCEDMN
CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCN(C2CC2)C1	ZINC000439596892	1201060214	/nfs/dbraw/zinc/06/02/14/1201060214.db2.gz	PHQQWAFNTOXOOP-OAHLLOKOSA-N	0	1	396.426	1.517	20	30		GCEDMN
CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000552580451	1201093682	/nfs/dbraw/zinc/09/36/82/1201093682.db2.gz	GZEDZIZIWQMIGD-CYBMUJFWSA-N	0	1	376.461	0.530	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@@H](C)O1	ZINC000542824614	1201132844	/nfs/dbraw/zinc/13/28/44/1201132844.db2.gz	RLGTUNYRLQFEHG-ZIAGYGMSSA-N	0	1	377.493	0.937	20	30		GCEDMN
C[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1	ZINC000611386540	1201235801	/nfs/dbraw/zinc/23/58/01/1201235801.db2.gz	MVUGNEGBPNADKU-YJBOKZPZSA-N	0	1	390.509	0.540	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1OC	ZINC001082227450	1201329338	/nfs/dbraw/zinc/32/93/38/1201329338.db2.gz	LZWCBIDODBYZAO-FAJBIJEISA-N	0	1	379.501	0.796	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(CCOC)C2)cc1	ZINC000729980950	1201423033	/nfs/dbraw/zinc/42/30/33/1201423033.db2.gz	SNBRMARCDCBQEO-INIZCTEOSA-N	0	1	379.482	0.439	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001084716095	1201442939	/nfs/dbraw/zinc/44/29/39/1201442939.db2.gz	NQTQBEXSGNIUMK-HPFXQQBRSA-N	0	1	390.484	0.442	20	30		GCEDMN
CC[NH+](CC)CCN1c2ccccc2C(=NNc2nc3[nH][n-]cc-3c(=O)n2)C1=O	ZINC000731158049	1201473740	/nfs/dbraw/zinc/47/37/40/1201473740.db2.gz	ZAGGAZYDEBKZCD-UHFFFAOYSA-N	0	1	394.439	0.937	20	30		GCEDMN
CCCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1nn[nH]n1	ZINC000731873396	1201507118	/nfs/dbraw/zinc/50/71/18/1201507118.db2.gz	RGNGYDVYMOHXQL-NSHDSACASA-N	0	1	377.430	0.113	20	30		GCEDMN
O=C(CCCCCN=C1NS(=O)(=O)c2ccccc21)NCc1nn[nH]n1	ZINC000732157623	1201524004	/nfs/dbraw/zinc/52/40/04/1201524004.db2.gz	BPQWTFGTSOSGDM-UHFFFAOYSA-N	0	1	377.430	0.115	20	30		GCEDMN
O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CCC2)CC1	ZINC000733276921	1201582055	/nfs/dbraw/zinc/58/20/55/1201582055.db2.gz	ZAPWWZNLEGLVOB-UHFFFAOYSA-N	0	1	376.482	0.812	20	30		GCEDMN
CN1CCN(c2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cn2)CC1	ZINC000735842651	1201702284	/nfs/dbraw/zinc/70/22/84/1201702284.db2.gz	LSBSLNGJAJXCLH-HNENSFHCSA-N	0	1	384.440	0.688	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1	ZINC000735937657	1201705911	/nfs/dbraw/zinc/70/59/11/1201705911.db2.gz	LIMCRXPZPYOJOA-ZDUSSCGKSA-N	0	1	393.465	0.549	20	30		GCEDMN
N#C[C@@H](C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CC1	ZINC000741432547	1201779479	/nfs/dbraw/zinc/77/94/79/1201779479.db2.gz	YRPOVSXITLIABI-AWEZNQCLSA-N	0	1	392.433	0.999	20	30		GCEDMN
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H](CN3CCOCC3)C2)C1=O	ZINC000742161685	1201791568	/nfs/dbraw/zinc/79/15/68/1201791568.db2.gz	MSFDMOWAINOKIZ-UTKZUKDTSA-N	0	1	397.479	0.937	20	30		GCEDMN
CN(CCCC(=O)C(C#N)C(=O)NC1CC1)C1=NS(=O)(=O)c2ccccc21	ZINC000744030880	1201833344	/nfs/dbraw/zinc/83/33/44/1201833344.db2.gz	NLSNOLNVPQXYLY-CQSZACIVSA-N	0	1	388.449	0.835	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)C12CC(NC(=O)C(C#N)Cc3cccs3)(C1)C2	ZINC001273427972	1201861644	/nfs/dbraw/zinc/86/16/44/1201861644.db2.gz	PBWBEMQQAJWVBW-AXOLYNHLSA-N	0	1	395.506	0.630	20	30		GCEDMN
C=CCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC001108476153	1201947012	/nfs/dbraw/zinc/94/70/12/1201947012.db2.gz	DDPRHSGOYJPWRI-TXCZRRACSA-N	0	1	378.498	0.789	20	30		GCEDMN
CS(=O)(=O)C1CCC([N@@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC1	ZINC001169871441	1201958969	/nfs/dbraw/zinc/95/89/69/1201958969.db2.gz	WLUUIJIAQLWOCB-HTAVTVPLSA-N	0	1	390.464	0.358	20	30		GCEDMN
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2	ZINC001109419063	1202041944	/nfs/dbraw/zinc/04/19/44/1202041944.db2.gz	HNEOXALCOBLUKP-JLOCXQCDSA-N	0	1	384.484	0.997	20	30		GCEDMN
N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCS(N)(=O)=O)C3)cc1	ZINC001109657128	1202099687	/nfs/dbraw/zinc/09/96/87/1202099687.db2.gz	AGZHUYYGHXPUMF-IKGGRYGDSA-N	0	1	376.482	0.848	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2	ZINC001109718552	1202108912	/nfs/dbraw/zinc/10/89/12/1202108912.db2.gz	HYWXNOQHQQSVKB-WCVJEAGWSA-N	0	1	377.489	0.204	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC[C@H]1C)C2	ZINC001109718552	1202108914	/nfs/dbraw/zinc/10/89/14/1202108914.db2.gz	HYWXNOQHQQSVKB-WCVJEAGWSA-N	0	1	377.489	0.204	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCSC[C@@H]1C(=O)OCC)c1cc[nH]n1	ZINC000770823997	1202114833	/nfs/dbraw/zinc/11/48/33/1202114833.db2.gz	NLZKAAJERRMLNK-GFCCVEGCSA-N	0	1	398.441	0.201	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(CC(=O)NC)cc1)c1ccn[nH]1	ZINC000770824743	1202115346	/nfs/dbraw/zinc/11/53/46/1202115346.db2.gz	RGBYSOITRUIKEF-UHFFFAOYSA-N	0	1	387.396	0.621	20	30		GCEDMN
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O	ZINC001109804258	1202127535	/nfs/dbraw/zinc/12/75/35/1202127535.db2.gz	IUWUBUWURXLGPJ-TWMKSMIVSA-N	0	1	377.489	0.204	20	30		GCEDMN
C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2	ZINC001109822945	1202130637	/nfs/dbraw/zinc/13/06/37/1202130637.db2.gz	MGTPPFOLWKNRGN-PMPSAXMXSA-N	0	1	376.461	0.103	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc([N+](=O)[O-])ccc1C	ZINC000771889860	1202168041	/nfs/dbraw/zinc/16/80/41/1202168041.db2.gz	BWILSCWMULDVNT-UHFFFAOYSA-N	0	1	395.397	0.003	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC(C)(C)Oc3ccccc32)c(=O)n(C)c1=O	ZINC000771891059	1202168324	/nfs/dbraw/zinc/16/83/24/1202168324.db2.gz	RQUPMXFHLDMHTJ-UHFFFAOYSA-N	0	1	392.437	0.328	20	30		GCEDMN
COc1ccc(CCC(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771891865	1202168355	/nfs/dbraw/zinc/16/83/55/1202168355.db2.gz	VCVLIKNUCZWOKR-UHFFFAOYSA-N	0	1	394.453	0.380	20	30		GCEDMN
Cc1ccc(C2CC(=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)cc1	ZINC000771896575	1202168512	/nfs/dbraw/zinc/16/85/12/1202168512.db2.gz	CTLSHZUNHAYFDI-UHFFFAOYSA-N	0	1	376.438	0.604	20	30		GCEDMN
CCO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(CC)CC	ZINC000771893051	1202168559	/nfs/dbraw/zinc/16/85/59/1202168559.db2.gz	WPTQKHPNVVCREN-CYBMUJFWSA-N	0	1	386.474	0.334	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(O)c(F)c1	ZINC000771896729	1202168967	/nfs/dbraw/zinc/16/89/67/1202168967.db2.gz	HXDLWCRIYQIDNL-UHFFFAOYSA-N	0	1	384.389	0.021	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C(CC2CC2)c2ccccc2)c(=O)n(C)c1=O	ZINC000771898157	1202169019	/nfs/dbraw/zinc/16/90/19/1202169019.db2.gz	VLUSIMRNOKAVDU-UHFFFAOYSA-N	0	1	376.438	0.567	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O	ZINC000771898814	1202169112	/nfs/dbraw/zinc/16/91/12/1202169112.db2.gz	SUFWBGDZTMOMNM-UHFFFAOYSA-N	0	1	390.343	0.415	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772114959	1202174566	/nfs/dbraw/zinc/17/45/66/1202174566.db2.gz	SATIPRFQIVBOFX-HZPDHXFCSA-N	0	1	384.498	0.203	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2c(C(=O)OCC)cnn2C)CC1	ZINC000772112494	1202174657	/nfs/dbraw/zinc/17/46/57/1202174657.db2.gz	DEAGEYLFTLMMNH-UHFFFAOYSA-N	0	1	376.413	0.424	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)CC1	ZINC000772113629	1202174939	/nfs/dbraw/zinc/17/49/39/1202174939.db2.gz	PMXVPDXMJVNMGV-UHFFFAOYSA-N	0	1	379.438	0.161	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)CC1	ZINC000772109770	1202174956	/nfs/dbraw/zinc/17/49/56/1202174956.db2.gz	JTRDXMNBLUNCMS-SJORKVTESA-N	0	1	377.485	0.623	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccn[nH]1	ZINC000772177788	1202175322	/nfs/dbraw/zinc/17/53/22/1202175322.db2.gz	AXRZCEJMEKIYLH-UHFFFAOYSA-N	0	1	384.356	0.512	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1CC(=O)OC)c1cc[nH]n1	ZINC000772146581	1202175915	/nfs/dbraw/zinc/17/59/15/1202175915.db2.gz	UEZCSUFCFPRNIC-GFCCVEGCSA-N	0	1	380.401	0.638	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCC(C(=O)OC)CC1)c1ccn[nH]1	ZINC000772232140	1202178027	/nfs/dbraw/zinc/17/80/27/1202178027.db2.gz	WRMGUBJCOYHJIX-UHFFFAOYSA-N	0	1	380.401	0.542	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnn(-c2ccccn2)c1)c1ccn[nH]1	ZINC000772297691	1202178963	/nfs/dbraw/zinc/17/89/63/1202178963.db2.gz	DDNQGXXDNXXEEB-UHFFFAOYSA-N	0	1	383.368	0.913	20	30		GCEDMN
C[C@H]1CN(CCCNC(=O)C(=O)NCCNc2ncccc2C#N)C[C@H](C)O1	ZINC000787788420	1205403271	/nfs/dbraw/zinc/40/32/71/1205403271.db2.gz	XTAIYPKCXBLNLN-GJZGRUSLSA-N	0	1	388.472	0.097	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CN(C(=O)OC(C)(C)C)C1)c1ccn[nH]1	ZINC000789979183	1205453621	/nfs/dbraw/zinc/45/36/21/1205453621.db2.gz	QVKIASMYBZBCHH-UHFFFAOYSA-N	0	1	395.416	0.429	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccn[nH]1	ZINC000789997207	1205453999	/nfs/dbraw/zinc/45/39/99/1205453999.db2.gz	CEFDNAUSKHBSGK-UHFFFAOYSA-N	0	1	386.368	0.592	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(-n2ccnn2)c1)c1ccn[nH]1	ZINC000789995139	1205454071	/nfs/dbraw/zinc/45/40/71/1205454071.db2.gz	DNBQMLMUUBQNOY-UHFFFAOYSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(-n2cncn2)cc1)c1ccn[nH]1	ZINC000789986998	1205454098	/nfs/dbraw/zinc/45/40/98/1205454098.db2.gz	OKQHEUXNHZBWKP-UHFFFAOYSA-N	0	1	397.395	0.591	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CC(=O)N(C)[C@H]1c1ccccc1)c1cc[nH]n1	ZINC000793929584	1205509755	/nfs/dbraw/zinc/50/97/55/1205509755.db2.gz	MFVDRZIVAQSPRG-GOSISDBHSA-N	0	1	399.407	0.693	20	30		GCEDMN
CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129850231	1205520918	/nfs/dbraw/zinc/52/09/18/1205520918.db2.gz	UBWDHXPDQSMOFQ-YRXWBPOGSA-N	0	1	380.452	0.816	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1	ZINC001129857575	1205521138	/nfs/dbraw/zinc/52/11/38/1205521138.db2.gz	AODUFLAHPUPQDP-ILOCAZANSA-N	0	1	384.484	0.524	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@@H]1n1ccnn1	ZINC001129855410	1205521346	/nfs/dbraw/zinc/52/13/46/1205521346.db2.gz	KBVNVFYIPJMSAJ-MANSERQUSA-N	0	1	380.452	0.468	20	30		GCEDMN
Cc1nc([C@H](C)NC(=O)C[C@@H](C)N=C2NS(=O)(=O)c3ccccc32)n[nH]1	ZINC000804811943	1205526088	/nfs/dbraw/zinc/52/60/88/1205526088.db2.gz	GOEWXPXESMCDQN-ZJUUUORDSA-N	0	1	376.442	0.808	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1	ZINC001130034780	1205529731	/nfs/dbraw/zinc/52/97/31/1205529731.db2.gz	XTFPXMHYYCRCNG-DFGXFYAUSA-N	0	1	390.488	0.079	20	30		GCEDMN
N#CCNC[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)[nH]1	ZINC001130213021	1205537082	/nfs/dbraw/zinc/53/70/82/1205537082.db2.gz	PPUXKLTWOREOAQ-JONQDZQNSA-N	0	1	381.440	0.605	20	30		GCEDMN
N#CCNC[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)n[nH]1	ZINC001130213021	1205537084	/nfs/dbraw/zinc/53/70/84/1205537084.db2.gz	PPUXKLTWOREOAQ-JONQDZQNSA-N	0	1	381.440	0.605	20	30		GCEDMN
N#CCNC[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)[nH]1	ZINC001130222987	1205538355	/nfs/dbraw/zinc/53/83/55/1205538355.db2.gz	KDSOINZVOQKXCF-JONQDZQNSA-N	0	1	388.472	0.469	20	30		GCEDMN
N#CCNC[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)n[nH]1	ZINC001130222987	1205538357	/nfs/dbraw/zinc/53/83/57/1205538357.db2.gz	KDSOINZVOQKXCF-JONQDZQNSA-N	0	1	388.472	0.469	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NCC)C1	ZINC001130596869	1205554943	/nfs/dbraw/zinc/55/49/43/1205554943.db2.gz	UFBUQCRRHUCBQY-ATLSCFEFSA-N	0	1	389.500	0.421	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C	ZINC001130995937	1205585382	/nfs/dbraw/zinc/58/53/82/1205585382.db2.gz	SNMPRWYLVVZGIU-RHQZKXFESA-N	0	1	395.507	0.656	20	30		GCEDMN
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cnn(CC#N)c2)c1	ZINC000747407174	1205585434	/nfs/dbraw/zinc/58/54/34/1205585434.db2.gz	NVYMYFHSDJGKRR-UHFFFAOYSA-N	0	1	378.366	0.781	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cncn1C	ZINC001131025910	1205588546	/nfs/dbraw/zinc/58/85/46/1205588546.db2.gz	JWZNAPNWKGXELJ-ZJSJBZJDSA-N	0	1	386.496	0.913	20	30		GCEDMN
Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1NCC(=O)NCC#N	ZINC001131035636	1205588858	/nfs/dbraw/zinc/58/88/58/1205588858.db2.gz	KSQZNMRVFQUXSU-MWDXBVQZSA-N	0	1	384.484	0.380	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NCCC)C1	ZINC001131072453	1205591587	/nfs/dbraw/zinc/59/15/87/1205591587.db2.gz	ZRLNWHXZJBNRDR-KONPQCLYSA-N	0	1	389.500	0.421	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NCC)C1	ZINC001131086450	1205594175	/nfs/dbraw/zinc/59/41/75/1205594175.db2.gz	PDTXREOSKALOPS-MKSNKDDYSA-N	0	1	389.500	0.421	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)N(C)C)C1	ZINC001131086128	1205594189	/nfs/dbraw/zinc/59/41/89/1205594189.db2.gz	HPKDFXCYUFUVJR-MKSNKDDYSA-N	0	1	389.500	0.374	20	30		GCEDMN
CN(C)c1c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n(C)c(=O)n1C	ZINC000807941963	1205595089	/nfs/dbraw/zinc/59/50/89/1205595089.db2.gz	BQXKEDSTMSAEAK-UHFFFAOYSA-N	0	1	391.344	0.412	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)c1	ZINC000747472647	1205604226	/nfs/dbraw/zinc/60/42/26/1205604226.db2.gz	ZXZZXEQCEIQFGO-INIZCTEOSA-N	0	1	396.432	0.631	20	30		GCEDMN
CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCNc1ncccc1C#N	ZINC000810200554	1205634906	/nfs/dbraw/zinc/63/49/06/1205634906.db2.gz	HBADUGDPMDZAMQ-INIZCTEOSA-N	0	1	383.456	0.978	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1	ZINC000747737208	1205654630	/nfs/dbraw/zinc/65/46/30/1205654630.db2.gz	ZOGFGXDHTMFCDQ-UHFFFAOYSA-N	0	1	394.431	0.246	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1noc2c1CCCC2)c1ccn[nH]1	ZINC000813820271	1205680474	/nfs/dbraw/zinc/68/04/74/1205680474.db2.gz	CTSYMCCDXYYVTC-UHFFFAOYSA-N	0	1	375.385	0.877	20	30		GCEDMN
CC(C)(C)c1nnc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[nH]1	ZINC000814354354	1205690574	/nfs/dbraw/zinc/69/05/74/1205690574.db2.gz	JGYLCPSEKIRHMI-UHFFFAOYSA-N	0	1	377.426	0.996	20	30		GCEDMN
CC(C)(C)c1nc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n[nH]1	ZINC000814354354	1205690575	/nfs/dbraw/zinc/69/05/75/1205690575.db2.gz	JGYLCPSEKIRHMI-UHFFFAOYSA-N	0	1	377.426	0.996	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1	ZINC000747968403	1205694904	/nfs/dbraw/zinc/69/49/04/1205694904.db2.gz	DSFCUDWYVIFLDP-IBGZPJMESA-N	0	1	397.475	0.574	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1	ZINC000747981459	1205696047	/nfs/dbraw/zinc/69/60/47/1205696047.db2.gz	PUKWELOXHYGHDE-GOSISDBHSA-N	0	1	377.533	0.429	20	30		GCEDMN
C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O	ZINC001176379973	1205746343	/nfs/dbraw/zinc/74/63/43/1205746343.db2.gz	NIKXFCQSKPXDLW-MSOLQXFVSA-N	0	1	384.436	0.914	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC2(CCC(=O)O2)CC1)c1cc[nH]n1	ZINC001177258949	1205764237	/nfs/dbraw/zinc/76/42/37/1205764237.db2.gz	VAQGAHUNVRJRCZ-HKWRFOASSA-N	0	1	378.385	0.392	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC2(C[C@H]2CCO)CC1)c1cc[nH]n1	ZINC001177258320	1205764250	/nfs/dbraw/zinc/76/42/50/1205764250.db2.gz	FDEWKYMNYAQYCV-QIAIEURZSA-N	0	1	378.429	0.705	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(C(=O)OC)n(C)c1)c1ccn[nH]1	ZINC001177257124	1205764893	/nfs/dbraw/zinc/76/48/93/1205764893.db2.gz	HRIOFAQHQSRMLS-ZHZULCJRSA-N	0	1	377.357	0.457	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1nc(C(=O)OCC)c[nH]1)c1cc[nH]n1	ZINC001177257321	1205764958	/nfs/dbraw/zinc/76/49/58/1205764958.db2.gz	NFRQWMFKSJCSTP-MTJSOVHGSA-N	0	1	378.345	0.232	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N(C)[C@@H]1CCC2(C1)OCCO2)c1cc[nH]n1	ZINC001177262470	1205765182	/nfs/dbraw/zinc/76/51/82/1205765182.db2.gz	DMBHYSNRDIIDAI-FWORZXNSSA-N	0	1	380.401	0.448	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(C(N)=O)cc2[nH]ccc21)c1ccn[nH]1	ZINC001177262409	1205765199	/nfs/dbraw/zinc/76/51/99/1205765199.db2.gz	BSXRMUKFDBTFKX-JLPGSUDCSA-N	0	1	398.379	0.912	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2[nH]c(CO)nc2c1)c1ccn[nH]1	ZINC001177262484	1205765222	/nfs/dbraw/zinc/76/52/22/1205765222.db2.gz	DICKQNVECHZATR-KQWNVCNZSA-N	0	1	386.368	0.701	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N(CC)CC(=O)OC(C)(C)C)c1cc[nH]n1	ZINC001177262401	1205765324	/nfs/dbraw/zinc/76/53/24/1205765324.db2.gz	BYVLYGCJTPAEFB-HKWRFOASSA-N	0	1	382.417	0.884	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N(C)[C@@H]1CCCN(C(C)=O)C1)c1cc[nH]n1	ZINC001177263263	1205765403	/nfs/dbraw/zinc/76/54/03/1205765403.db2.gz	OXVQQHLTFZKOJV-SFKFPXOQSA-N	0	1	379.417	0.163	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cncc(C(=O)OC)c1)c1ccn[nH]1	ZINC001177263786	1205765569	/nfs/dbraw/zinc/76/55/69/1205765569.db2.gz	DSLZCCOMNFEPLI-JCMHNJIXSA-N	0	1	389.368	0.192	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CCNC2=O)c1ccn[nH]1	ZINC001177263375	1205765642	/nfs/dbraw/zinc/76/56/42/1205765642.db2.gz	WDQNFXXHYXVFKC-KQWNVCNZSA-N	0	1	385.380	0.618	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@](C)(C(=O)OC)C(F)(F)F)c1ccn[nH]1	ZINC001177265834	1205765798	/nfs/dbraw/zinc/76/57/98/1205765798.db2.gz	CFBWFLHPHOUBME-GMECJLQCSA-N	0	1	394.306	0.304	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc(OCC)n1)c1ccn[nH]1	ZINC001177266192	1205766076	/nfs/dbraw/zinc/76/60/76/1205766076.db2.gz	GQRXGSYSTCCCAK-JWGURIENSA-N	0	1	375.385	0.804	20	30		GCEDMN
CN1CCN(Cc2cn3c(n2)CN(C(=O)Cc2ccnc(C#N)c2)CC3)CC1	ZINC001177667791	1205773728	/nfs/dbraw/zinc/77/37/28/1205773728.db2.gz	XYTABVZGNPUWLR-UHFFFAOYSA-N	0	1	379.468	0.482	20	30		GCEDMN
CC(=O)N1CC2(C1)CN(C(=O)C(C#N)Cc1cccs1)C[C@@H]2C(=O)N(C)C	ZINC001177912794	1205779369	/nfs/dbraw/zinc/77/93/69/1205779369.db2.gz	UEFIQQNRPNIEGR-GDBMZVCRSA-N	0	1	388.493	0.825	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2ncccn2)C1)c1cc[nH]n1	ZINC001178048751	1205781025	/nfs/dbraw/zinc/78/10/25/1205781025.db2.gz	XGVTYGXJYNSVOC-ZDUSSCGKSA-N	0	1	386.412	0.890	20	30		GCEDMN
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O	ZINC001178374919	1205786003	/nfs/dbraw/zinc/78/60/03/1205786003.db2.gz	QTTHYLVMEOXZTL-ZDUSSCGKSA-N	0	1	375.429	0.194	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)Nc1nc[nH]c1C#N)CCS2(=O)=O	ZINC001179357200	1205808551	/nfs/dbraw/zinc/80/85/51/1205808551.db2.gz	NIILAYHACTXTIJ-JTQLQIEISA-N	0	1	395.441	0.644	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1ccccc1)c1ccn[nH]1	ZINC001179791298	1205814378	/nfs/dbraw/zinc/81/43/78/1205814378.db2.gz	XEBYVNQRAFHBSE-OAHLLOKOSA-N	0	1	388.380	0.724	20	30		GCEDMN
CN(C)C1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)C1	ZINC001182145651	1205858025	/nfs/dbraw/zinc/85/80/25/1205858025.db2.gz	KKJAJJLKBFXGSE-OLZOCXBDSA-N	0	1	391.490	0.113	20	30		GCEDMN
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F	ZINC001110300773	1205870197	/nfs/dbraw/zinc/87/01/97/1205870197.db2.gz	MLQNKKNZKJITEM-LPWJVIDDSA-N	0	1	381.420	0.904	20	30		GCEDMN
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1CCC[N@H+]1CC1CC1	ZINC001182560166	1205876793	/nfs/dbraw/zinc/87/67/93/1205876793.db2.gz	CYZIJMMTOGNJIB-QWHCGFSZSA-N	0	1	381.435	0.403	20	30		GCEDMN
CCOC(=O)[C@@H](C#N)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184360827	1205908299	/nfs/dbraw/zinc/90/82/99/1205908299.db2.gz	RTZJIJCZGUMTGF-CQSZACIVSA-N	0	1	387.392	0.810	20	30		GCEDMN
C#CCOCCOCCNS(=O)(=O)c1nc(C)c(C(=O)OCC)s1	ZINC001184988636	1205915848	/nfs/dbraw/zinc/91/58/48/1205915848.db2.gz	GYOJOTFOVGROEY-UHFFFAOYSA-N	0	1	376.456	0.573	20	30		GCEDMN
CN(C)[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)c1cccs1	ZINC000774851862	1205920988	/nfs/dbraw/zinc/92/09/88/1205920988.db2.gz	CKEFYLIVMYQIGT-AWEZNQCLSA-N	0	1	386.481	0.962	20	30		GCEDMN
N#Cc1[nH]cnc1NC(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O	ZINC001185809610	1205929408	/nfs/dbraw/zinc/92/94/08/1205929408.db2.gz	OGDIBOGVARZTHR-UHFFFAOYSA-N	0	1	387.377	0.774	20	30		GCEDMN
Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N(O)C(=O)CN1CC[C@@H](O)C1	ZINC001186036372	1205933127	/nfs/dbraw/zinc/93/31/27/1205933127.db2.gz	XADZTDVWBKUDPP-SECBINFHSA-N	0	1	398.782	0.807	20	30		GCEDMN
N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nc1	ZINC000775045549	1205945370	/nfs/dbraw/zinc/94/53/70/1205945370.db2.gz	UWWKCNGSENIQJS-GOSISDBHSA-N	0	1	392.463	0.872	20	30		GCEDMN
C=CCOC[C@H](NS(=O)(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1)C(=O)OC	ZINC001189693737	1206014367	/nfs/dbraw/zinc/01/43/67/1206014367.db2.gz	XKEXENIJLXKMKM-VWYCJHECSA-N	0	1	375.365	0.760	20	30		GCEDMN
C=CCOC[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)Cc2nnn(CC3CC3)c21	ZINC001190697827	1206041946	/nfs/dbraw/zinc/04/19/46/1206041946.db2.gz	BCPZWLICSJLKAU-ZDUSSCGKSA-N	0	1	378.458	0.902	20	30		GCEDMN
COC(=O)c1cc(C#N)cnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164749651	720800018	/nfs/dbraw/zinc/80/00/18/720800018.db2.gz	UKIYBKNQVWYQRG-CABCVRRESA-N	0	1	380.408	0.872	20	30		GCEDMN
CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164752054	720801645	/nfs/dbraw/zinc/80/16/45/720801645.db2.gz	YLGBEAKHPLLWEM-UONOGXRCSA-N	0	1	376.424	0.914	20	30		GCEDMN
CN1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])cc2C#N)CC3)CC1	ZINC001164794443	721512643	/nfs/dbraw/zinc/51/26/43/721512643.db2.gz	PLPUJFQBGZUHRJ-UHFFFAOYSA-N	0	1	382.428	0.826	20	30		GCEDMN
CN1CCN(Cc2cn3c(n2)CN(c2nc(C#N)c(C#N)nc2Cl)CC3)CC1	ZINC001164794217	721513756	/nfs/dbraw/zinc/51/37/56/721513756.db2.gz	LENVBEOSIPBWQN-UHFFFAOYSA-N	0	1	397.874	0.837	20	30		GCEDMN
N#Cc1ccc(O)c(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000822833865	946201044	/nfs/dbraw/zinc/20/10/44/946201044.db2.gz	YCRBRRTTXHEBNQ-UHFFFAOYSA-N	0	1	398.404	0.997	20	30		GCEDMN
N#Cc1[n-]c(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)nc1-c1nn[nH]n1	ZINC001571312370	946489223	/nfs/dbraw/zinc/48/92/23/946489223.db2.gz	AXHZQZXNRWPMHK-UHFFFAOYSA-N	0	1	392.427	0.612	20	30		GCEDMN
N#Cc1cc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1	ZINC001571313596	946527975	/nfs/dbraw/zinc/52/79/75/946527975.db2.gz	SRUNCBJMGCOSLS-CYBMUJFWSA-N	0	1	392.427	0.775	20	30		GCEDMN
C#CCN(C(=O)c1ccn(C)n1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1	ZINC001573281727	946678886	/nfs/dbraw/zinc/67/88/86/946678886.db2.gz	AXXBGKNLMRYJGX-UHFFFAOYSA-N	0	1	391.439	0.740	20	30		GCEDMN
C#CCCCCCC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573283043	946705878	/nfs/dbraw/zinc/70/58/78/946705878.db2.gz	RBKYBIAKFIODNK-HNNXBMFYSA-N	0	1	383.456	0.907	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573284948	946761944	/nfs/dbraw/zinc/76/19/44/946761944.db2.gz	AWQWYBDPSKQBPH-QWHCGFSZSA-N	0	1	386.431	0.981	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573285668	946785184	/nfs/dbraw/zinc/78/51/84/946785184.db2.gz	KTSCIENCUIMNKN-AWEZNQCLSA-N	0	1	385.472	0.927	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21	ZINC001573285658	946785584	/nfs/dbraw/zinc/78/55/84/946785584.db2.gz	KNFJOQHGTDMVCO-JKIFEVAISA-N	0	1	381.440	0.646	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573287517	946838465	/nfs/dbraw/zinc/83/84/65/946838465.db2.gz	JFNLBDMAOJIKKH-AWEZNQCLSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#CCOCCC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573287568	946841109	/nfs/dbraw/zinc/84/11/09/946841109.db2.gz	NQBXTDQXMPXGQM-VIFPVBQESA-N	0	1	381.849	0.711	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)cn1	ZINC001573287761	946846876	/nfs/dbraw/zinc/84/68/76/946846876.db2.gz	KWEQJGHZUAKPHW-DOMZBBRYSA-N	0	1	389.423	0.820	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)nc1	ZINC001573287722	946847848	/nfs/dbraw/zinc/84/78/48/946847848.db2.gz	KMVHOQREBCJRBF-CQSZACIVSA-N	0	1	389.423	0.678	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1	ZINC001573288489	946866195	/nfs/dbraw/zinc/86/61/95/946866195.db2.gz	QWZYCHGMYXTRHC-ZDUSSCGKSA-N	0	1	375.396	0.172	20	30		GCEDMN
C#CCOCCC(=O)N(C)CCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573288819	946879255	/nfs/dbraw/zinc/87/92/55/946879255.db2.gz	YPWYDOVSQDXAGT-UHFFFAOYSA-N	0	1	383.865	0.911	20	30		GCEDMN
C#CCOc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1	ZINC001573290281	946900979	/nfs/dbraw/zinc/90/09/79/946900979.db2.gz	VBOSOXYMFGDQLP-STQMWFEESA-N	0	1	392.423	0.710	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573291337	946916948	/nfs/dbraw/zinc/91/69/48/946916948.db2.gz	ZNJAPKSWBXXPHL-SMDDNHRTSA-N	0	1	375.396	0.028	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561821	946966600	/nfs/dbraw/zinc/96/66/00/946966600.db2.gz	NRLHQOXMYTYUJC-AAEUAGOBSA-N	0	1	375.408	0.417	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561821	946966619	/nfs/dbraw/zinc/96/66/19/946966619.db2.gz	NRLHQOXMYTYUJC-AAEUAGOBSA-N	0	1	375.408	0.417	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1	ZINC001573295009	947004058	/nfs/dbraw/zinc/00/40/58/947004058.db2.gz	NCADXPJFHYKNBR-GFOFROLCSA-N	0	1	383.456	0.924	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566298	947025150	/nfs/dbraw/zinc/02/51/50/947025150.db2.gz	AUTVJHFPYCJUOJ-CHWSQXEVSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566298	947025162	/nfs/dbraw/zinc/02/51/62/947025162.db2.gz	AUTVJHFPYCJUOJ-CHWSQXEVSA-N	0	1	389.485	0.873	20	30		GCEDMN
C=C1CC(C)(C(=O)N[C@@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@@H]2O)C1	ZINC001573296427	947044951	/nfs/dbraw/zinc/04/49/51/947044951.db2.gz	PZULLBDASOWCCP-BDAKNGLRSA-N	0	1	395.876	0.999	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21	ZINC001573577136	947161923	/nfs/dbraw/zinc/16/19/23/947161923.db2.gz	MPXKUWDIAVVNEZ-XSPKLOCKSA-N	0	1	378.849	0.935	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573578163	947182924	/nfs/dbraw/zinc/18/29/24/947182924.db2.gz	ZFQQEQPHHXSBAE-FUXBKTLASA-N	0	1	382.837	0.194	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573309127	947190927	/nfs/dbraw/zinc/19/09/27/947190927.db2.gz	CUGRQTPTWDVTNW-RMLUDKJBSA-N	0	1	383.865	0.999	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573309736	947207572	/nfs/dbraw/zinc/20/75/72/947207572.db2.gz	NVLQVXAMQQLJHE-QZTJIDSGSA-N	0	1	384.444	0.413	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1	ZINC001573309729	947208657	/nfs/dbraw/zinc/20/86/57/947208657.db2.gz	NNSGEPDFVYVADL-QFBILLFUSA-N	0	1	385.472	0.968	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1	ZINC001573583687	947208641	/nfs/dbraw/zinc/20/86/41/947208641.db2.gz	NYCVWDVRMTZSOW-DZGCQCFKSA-N	0	1	391.439	0.768	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[nH]n3)n1)C2	ZINC001573585194	947249792	/nfs/dbraw/zinc/24/97/92/947249792.db2.gz	MFIOZOVWFXTUNQ-NSHDSACASA-N	0	1	375.396	0.953	20	30		GCEDMN
CCc1ccccc1NC(=O)CNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000825722900	947301644	/nfs/dbraw/zinc/30/16/44/947301644.db2.gz	NLQVHMDHIRSHGL-UHFFFAOYSA-N	0	1	379.384	0.252	20	30		GCEDMN
C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573337027	947514115	/nfs/dbraw/zinc/51/41/15/947514115.db2.gz	SUHYIKFXDGOZEO-ZIAGYGMSSA-N	0	1	386.460	0.853	20	30		GCEDMN
C=CCCOCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2	ZINC001573337072	947514325	/nfs/dbraw/zinc/51/43/25/947514325.db2.gz	UAKHTYRRAFSXHH-UGSOOPFHSA-N	0	1	384.444	0.725	20	30		GCEDMN
C=CCOCCCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573348989	947589339	/nfs/dbraw/zinc/58/93/39/947589339.db2.gz	XSKLWFGWVMVAKK-KBPBESRZSA-N	0	1	386.460	0.710	20	30		GCEDMN
C=CCn1cc(C(=O)N(C)CCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)nn1	ZINC001573348803	947590106	/nfs/dbraw/zinc/59/01/06/947590106.db2.gz	WSFNDVZSRRDFDZ-UHFFFAOYSA-N	0	1	382.432	0.556	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573352055	947625006	/nfs/dbraw/zinc/62/50/06/947625006.db2.gz	YYMUWMLCQWWUOH-MCIONIFRSA-N	0	1	384.444	0.463	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NC(=O)c1ccc(OC(F)F)cc1	ZINC000826383296	948182394	/nfs/dbraw/zinc/18/23/94/948182394.db2.gz	TVRDPGLKMQCISI-UHFFFAOYSA-N	0	1	388.294	0.493	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000826383381	948182499	/nfs/dbraw/zinc/18/24/99/948182499.db2.gz	YDEMUZSMENENGZ-UHFFFAOYSA-N	0	1	381.375	0.423	20	30		GCEDMN
C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576191776	950208145	/nfs/dbraw/zinc/20/81/45/950208145.db2.gz	KEJPRNIXHMIEOB-AAEUAGOBSA-N	0	1	392.427	0.489	20	30		GCEDMN
CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(C#N)c[nH]1	ZINC001574158111	950271531	/nfs/dbraw/zinc/27/15/31/950271531.db2.gz	OGLWBYUXKAAOBH-LBPRGKRZSA-N	0	1	380.416	0.535	20	30		GCEDMN
CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(C#N)c[nH]1	ZINC001574158110	950274049	/nfs/dbraw/zinc/27/40/49/950274049.db2.gz	OGLWBYUXKAAOBH-GFCCVEGCSA-N	0	1	380.416	0.535	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001573852882	950312342	/nfs/dbraw/zinc/31/23/42/950312342.db2.gz	KKLXWTFIHMIJEF-MWLCHTKSSA-N	0	1	382.388	0.699	20	30		GCEDMN
C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001571135798	952609168	/nfs/dbraw/zinc/60/91/68/952609168.db2.gz	DXWIOAUZUVUICO-CMPLNLGQSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2-c2nn[nH]n2)C1	ZINC001571152595	952682952	/nfs/dbraw/zinc/68/29/52/952682952.db2.gz	GZEQECKRJFAYFD-HLUHBDAQSA-N	0	1	380.334	0.644	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2-c2nn[nH]n2)C1	ZINC001571152596	952683442	/nfs/dbraw/zinc/68/34/42/952683442.db2.gz	GZEQECKRJFAYFD-MKPLZMMCSA-N	0	1	380.334	0.644	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593729514	954309718	/nfs/dbraw/zinc/30/97/18/954309718.db2.gz	XOLRMYWDNAEQOT-ZYHUDNBSSA-N	0	1	378.351	0.345	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593729514	954309732	/nfs/dbraw/zinc/30/97/32/954309732.db2.gz	XOLRMYWDNAEQOT-ZYHUDNBSSA-N	0	1	378.351	0.345	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])CC2)o1	ZINC001594445158	959322159	/nfs/dbraw/zinc/32/21/59/959322159.db2.gz	PCVKHYHSSLXEKD-LRDDRELGSA-N	0	1	375.429	0.688	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])CC2)o1	ZINC001594445158	959322176	/nfs/dbraw/zinc/32/21/76/959322176.db2.gz	PCVKHYHSSLXEKD-LRDDRELGSA-N	0	1	375.429	0.688	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)cc1	ZINC001588847872	984366656	/nfs/dbraw/zinc/36/66/56/984366656.db2.gz	PYVURWIHOYWNEW-AWEZNQCLSA-N	0	1	381.454	0.239	20	30		GCEDMN
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@H](C(=O)[O-])C3)cc21	ZINC001588913069	984553952	/nfs/dbraw/zinc/55/39/52/984553952.db2.gz	WIUFGYQYSSVILT-AWEZNQCLSA-N	0	1	385.424	0.636	20	30		GCEDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001594514617	985847014	/nfs/dbraw/zinc/84/70/14/985847014.db2.gz	ZKRKUTSEZGYGLV-ZBFHGGJFSA-N	0	1	384.436	0.919	20	30		GCEDMN
C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001598585891	993381685	/nfs/dbraw/zinc/38/16/85/993381685.db2.gz	KEAYIHDAHFFTOQ-UZLBHIALSA-N	0	1	396.451	0.794	20	30		GCEDMN
C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001598585890	993381795	/nfs/dbraw/zinc/38/17/95/993381795.db2.gz	KEAYIHDAHFFTOQ-OXQOHEQNSA-N	0	1	396.451	0.794	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(=O)[O-])C1	ZINC001598607723	993699350	/nfs/dbraw/zinc/69/93/50/993699350.db2.gz	SWGFHPIPMYKYCL-DLBZAZTESA-N	0	1	399.451	0.317	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(=O)[O-])C1	ZINC001598607726	993700162	/nfs/dbraw/zinc/70/01/62/993700162.db2.gz	SWGFHPIPMYKYCL-SJORKVTESA-N	0	1	399.451	0.317	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774870	995919564	/nfs/dbraw/zinc/91/95/64/995919564.db2.gz	GJQUNUWQBXDZTA-OLZOCXBDSA-N	0	1	381.410	0.065	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774870	995919568	/nfs/dbraw/zinc/91/95/68/995919568.db2.gz	GJQUNUWQBXDZTA-OLZOCXBDSA-N	0	1	381.410	0.065	20	30		GCEDMN
CN1CC[C@](O)(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000451403562	530254709	/nfs/dbraw/zinc/25/47/09/530254709.db2.gz	ZZKXINJTECQUPY-ZDUSSCGKSA-N	0	1	392.250	0.805	20	30		GCEDMN
C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1	ZINC000594626433	530432284	/nfs/dbraw/zinc/43/22/84/530432284.db2.gz	PWVRERUBNKSILO-ZDUSSCGKSA-N	0	1	386.499	0.251	20	30		GCEDMN
C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C#N)N(C)C	ZINC000594634898	530436333	/nfs/dbraw/zinc/43/63/33/530436333.db2.gz	AXOOOPUHXZLCDF-LBPRGKRZSA-N	0	1	388.515	0.495	20	30		GCEDMN
N#C[C@H](c1ccc(Br)cc1)N1CCN(c2nc(N)nc(N)n2)CC1	ZINC000599067315	530466090	/nfs/dbraw/zinc/46/60/90/530466090.db2.gz	ZSSIIINHDOKICK-GFCCVEGCSA-N	0	1	389.261	0.846	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572319497	530511838	/nfs/dbraw/zinc/51/18/38/530511838.db2.gz	XGNCNXCBJPFVSC-UONOGXRCSA-N	0	1	386.499	0.177	20	30		GCEDMN
CSc1c[nH]nc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1	ZINC000349469563	530643665	/nfs/dbraw/zinc/64/36/65/530643665.db2.gz	BIRYWUOMGDWASY-UHFFFAOYSA-N	0	1	393.516	0.439	20	30		GCEDMN
CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349486988	530652723	/nfs/dbraw/zinc/65/27/23/530652723.db2.gz	BIOQKWKYJDPEAX-NSHDSACASA-N	0	1	375.476	0.104	20	30		GCEDMN
CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349507509	530664501	/nfs/dbraw/zinc/66/45/01/530664501.db2.gz	YISJHLYNIPPGKT-UHFFFAOYSA-N	0	1	389.503	0.446	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C	ZINC000349537165	530679317	/nfs/dbraw/zinc/67/93/17/530679317.db2.gz	PJACRUFFJZEUNA-OLZOCXBDSA-N	0	1	392.503	0.421	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(SCCO)n[nH]2)c1	ZINC000475440776	530725159	/nfs/dbraw/zinc/72/51/59/530725159.db2.gz	INMINBMCONFWPU-UHFFFAOYSA-N	0	1	383.455	0.606	20	30		GCEDMN
CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(F)(F)F	ZINC000508111853	530818058	/nfs/dbraw/zinc/81/80/58/530818058.db2.gz	XNJQHADDTFFBQF-MRVPVSSYSA-N	0	1	391.418	0.720	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](C)C1	ZINC000349511298	530886229	/nfs/dbraw/zinc/88/62/29/530886229.db2.gz	RPOOSXXGFUFMJA-LBPRGKRZSA-N	0	1	389.503	0.578	20	30		GCEDMN
N#CC1(NS(=O)(=O)CCCCS(=O)(=O)N2CCCc3[nH]ncc32)CC1	ZINC000349609732	530911106	/nfs/dbraw/zinc/91/11/06/530911106.db2.gz	IMNXXNGPODCKNY-UHFFFAOYSA-N	0	1	387.487	0.248	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467153679	530914554	/nfs/dbraw/zinc/91/45/54/530914554.db2.gz	VTGTYQLADWLLNI-GWCFXTLKSA-N	0	1	393.437	0.833	20	30		GCEDMN
COC(=O)CC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)OC	ZINC000469026506	530918260	/nfs/dbraw/zinc/91/82/60/530918260.db2.gz	SMJWUUPXCJEYNI-NSHDSACASA-N	0	1	376.337	0.610	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)NCC2(OCCO)CCOCC2)c(F)c1	ZINC000282179856	530923247	/nfs/dbraw/zinc/92/32/47/530923247.db2.gz	ZIDNTWVQRUQNEI-UHFFFAOYSA-N	0	1	376.381	0.673	20	30		GCEDMN
C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)N(C)C1CC1	ZINC000520839784	530958659	/nfs/dbraw/zinc/95/86/59/530958659.db2.gz	RZJUYNBXPKNHQC-GFCCVEGCSA-N	0	1	386.499	0.249	20	30		GCEDMN
C=CCNC(=O)CNS(=O)(=O)c1sc(C(=O)OC)cc1Br	ZINC000275460167	531008327	/nfs/dbraw/zinc/00/83/27/531008327.db2.gz	UYPUFQSJBWPHBU-UHFFFAOYSA-N	0	1	397.272	0.878	20	30		GCEDMN
C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)s1	ZINC000414212231	531049821	/nfs/dbraw/zinc/04/98/21/531049821.db2.gz	QBNYPXGWLJQOJC-QMMMGPOBSA-N	0	1	375.476	0.923	20	30		GCEDMN
C=CCOCCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000679477405	531156369	/nfs/dbraw/zinc/15/63/69/531156369.db2.gz	QXBKKBFUSUTXGV-UHFFFAOYSA-N	0	1	378.472	0.938	20	30		GCEDMN
CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2CCC[C@@H]2C1	ZINC000565228023	531180918	/nfs/dbraw/zinc/18/09/18/531180918.db2.gz	BVBSRDCCWJATLI-CQSZACIVSA-N	0	1	392.547	0.098	20	30		GCEDMN
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)CC1	ZINC000820353827	598227411	/nfs/dbraw/zinc/22/74/11/598227411.db2.gz	FMUXWDAVMCGZEU-LJQANCHMSA-N	0	1	378.473	0.784	20	30		GCEDMN
C=CCNC(=O)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21	ZINC000735432717	598720740	/nfs/dbraw/zinc/72/07/40/598720740.db2.gz	UCPLAPABIMXUGM-UHFFFAOYSA-N	0	1	387.787	0.847	20	30		GCEDMN
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CN(C)CCN1C	ZINC000735420705	598731898	/nfs/dbraw/zinc/73/18/98/598731898.db2.gz	QOSCESPIOYGESU-QGZVFWFLSA-N	0	1	384.488	0.810	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000830777200	601802303	/nfs/dbraw/zinc/80/23/03/601802303.db2.gz	VEPGAKNDFTZQLI-KRWDZBQOSA-N	0	1	396.451	0.766	20	30		GCEDMN
N#CCCN(CCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000826381436	607617421	/nfs/dbraw/zinc/61/74/21/607617421.db2.gz	LWYCFPNASLIMRN-UHFFFAOYSA-N	0	1	376.358	0.593	20	30		GCEDMN
CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCN(CC#N)C2)cc1-c1nn[nH]n1	ZINC000821978162	606280896	/nfs/dbraw/zinc/28/08/96/606280896.db2.gz	KFELQKOGUBUFIX-SNVBAGLBSA-N	0	1	388.457	0.655	20	30		GCEDMN
N#Cc1ccc([C@H](O)CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1	ZINC000822825434	606849256	/nfs/dbraw/zinc/84/92/56/606849256.db2.gz	FQRONCOIUUUBIZ-QGZVFWFLSA-N	0	1	376.424	0.989	20	30		GCEDMN
CCS(=O)(=O)c1ccc2oc(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)nc2c1	ZINC000821449038	607160679	/nfs/dbraw/zinc/16/06/79/607160679.db2.gz	PUGDRXPCCWOXSI-UHFFFAOYSA-N	0	1	399.396	0.500	20	30		GCEDMN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1	ZINC000819740053	607209813	/nfs/dbraw/zinc/20/98/13/607209813.db2.gz	MTESUFPOXSEHII-UHFFFAOYSA-N	0	1	393.411	0.911	20	30		GCEDMN
C=CCc1cc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc(OC)c1OC	ZINC000819758726	607211763	/nfs/dbraw/zinc/21/17/63/607211763.db2.gz	GIELOTJKJMEAIK-UHFFFAOYSA-N	0	1	384.400	0.520	20	30		GCEDMN
N#Cc1ccc(OC2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1	ZINC000822832901	607214690	/nfs/dbraw/zinc/21/46/90/607214690.db2.gz	IIQCFVAVFMCJOI-UHFFFAOYSA-N	0	1	379.384	0.400	20	30		GCEDMN
N#CCN1CCC(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1	ZINC000822811059	607230229	/nfs/dbraw/zinc/23/02/29/607230229.db2.gz	RYHIDOSXHFOOQL-UHFFFAOYSA-N	0	1	397.411	0.659	20	30		GCEDMN
Cc1nn(C)c(N2CCOCC2)c1C=NNCc1ccc(-c2nn[nH]n2)cc1	ZINC000826334512	607890516	/nfs/dbraw/zinc/89/05/16/607890516.db2.gz	YGDLOZYXBVKXNF-UHFFFAOYSA-N	0	1	381.444	0.869	20	30		GCEDMN
C=CCN(CC(=O)OCC)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O	ZINC000823903719	608203571	/nfs/dbraw/zinc/20/35/71/608203571.db2.gz	INXNLVRZGWEBSS-UHFFFAOYSA-N	0	1	378.414	0.881	20	30		GCEDMN
CN(C)CC#CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000913515453	639581627	/nfs/dbraw/zinc/58/16/27/639581627.db2.gz	XTVUIKMUMLWZMI-UHFFFAOYSA-N	0	1	378.281	0.953	20	30		GCEDMN
O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCSCC1	ZINC000732777221	639814260	/nfs/dbraw/zinc/81/42/60/639814260.db2.gz	JLXYUMCYNNZXHE-UHFFFAOYSA-N	0	1	382.511	0.280	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)c1cnc(I)c(O)c1	ZINC000821838907	640070447	/nfs/dbraw/zinc/07/04/47/640070447.db2.gz	WCDRHXCHYAPRFB-UHFFFAOYSA-N	0	1	396.206	0.722	20	30		GCEDMN
C#Cc1cccc(NC(=O)CNS(=O)(=O)c2scnc2C(=O)OC)c1	ZINC000765099809	640659716	/nfs/dbraw/zinc/65/97/16/640659716.db2.gz	PXJVFHAQGOLXQQ-UHFFFAOYSA-N	0	1	379.419	0.828	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCSc3ccccc32)c(=O)n(C)c1=O	ZINC000771892297	640835141	/nfs/dbraw/zinc/83/51/41/640835141.db2.gz	POTRNCLCHILWEM-UHFFFAOYSA-N	0	1	380.451	0.262	20	30		GCEDMN
CN(C)c1c(C=[NH+][N-]c2ccnc(Br)c2)c(=O)n(C)c(=O)n1C	ZINC000807985199	641677660	/nfs/dbraw/zinc/67/76/60/641677660.db2.gz	BZEAQSLZFADUMA-UHFFFAOYSA-N	0	1	381.234	0.754	20	30		GCEDMN
CN(C)c1c(C=[NH+][N-]c2cncc(Br)c2)c(=O)n(C)c(=O)n1C	ZINC000807982071	641677801	/nfs/dbraw/zinc/67/78/01/641677801.db2.gz	QJHOSCRBTFCFDM-UHFFFAOYSA-N	0	1	381.234	0.754	20	30		GCEDMN
N#C[C@@]12CN(C(=O)C3CCN([C@H]4CCSC4)CC3)C[C@@H]1CS(=O)(=O)C2	ZINC000885311934	641803974	/nfs/dbraw/zinc/80/39/74/641803974.db2.gz	IMIOQDPNSIPSOV-VYDXJSESSA-N	0	1	383.539	0.601	20	30		GCEDMN
N#Cc1c(Br)cccc1OCC(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000825765632	642052309	/nfs/dbraw/zinc/05/23/09/642052309.db2.gz	ZLMLJSKGEGJAOM-LBPRGKRZSA-N	0	1	393.201	0.813	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cccn2c(I)cnc12	ZINC000834480190	642212925	/nfs/dbraw/zinc/21/29/25/642212925.db2.gz	MHVGCVJYUAPNNX-WPRPVWTQSA-N	0	1	381.177	0.780	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1	ZINC000834500621	642213368	/nfs/dbraw/zinc/21/33/68/642213368.db2.gz	VHNJTBILWINUMQ-DGCLKSJQSA-N	0	1	386.271	0.592	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1	ZINC000834500620	642213542	/nfs/dbraw/zinc/21/35/42/642213542.db2.gz	VHNJTBILWINUMQ-AAEUAGOBSA-N	0	1	386.271	0.592	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000834521600	642214509	/nfs/dbraw/zinc/21/45/09/642214509.db2.gz	OAAJNRORVGQTQP-GXSJLCMTSA-N	0	1	379.214	0.402	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1	ZINC000841229150	642291948	/nfs/dbraw/zinc/29/19/48/642291948.db2.gz	IXVVZYZLKWTFOX-GXFFZTMASA-N	0	1	395.261	0.914	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000843459437	642370013	/nfs/dbraw/zinc/37/00/13/642370013.db2.gz	FCAPNTAHTABXCN-JSGCOSHPSA-N	0	1	382.511	0.693	20	30		GCEDMN
C#C[C@@H](CO)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000867342759	642390499	/nfs/dbraw/zinc/39/04/99/642390499.db2.gz	CLUNXPNOXJVIMF-OVWNDWIMSA-N	0	1	381.273	0.734	20	30		GCEDMN
C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848958355	642571188	/nfs/dbraw/zinc/57/11/88/642571188.db2.gz	LRYLOMOXLJOAKX-UHFFFAOYSA-N	0	1	392.890	0.689	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848960578	642582133	/nfs/dbraw/zinc/58/21/33/642582133.db2.gz	KJFYTEYHBWZQPE-UHFFFAOYSA-N	0	1	394.906	0.935	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(F)(F)F)[nH]1	ZINC000848961903	642587564	/nfs/dbraw/zinc/58/75/64/642587564.db2.gz	STIJGZXASIVXEP-UHFFFAOYSA-N	0	1	388.393	0.455	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848962699	642591149	/nfs/dbraw/zinc/59/11/49/642591149.db2.gz	PGJSLQAWSULZGJ-SNVBAGLBSA-N	0	1	395.894	0.683	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1	ZINC000848965374	642603205	/nfs/dbraw/zinc/60/32/05/642603205.db2.gz	NMOUIQSWEZNHKW-WCQYABFASA-N	0	1	390.487	0.334	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848969383	642619192	/nfs/dbraw/zinc/61/91/92/642619192.db2.gz	KNMGVAIVFUJHHT-LLVKDONJSA-N	0	1	394.906	0.935	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848969722	642621179	/nfs/dbraw/zinc/62/11/79/642621179.db2.gz	XVKHEINSMHVSRV-NSHDSACASA-N	0	1	394.906	0.935	20	30		GCEDMN
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1	ZINC000662962196	1192170611	/nfs/dbraw/zinc/17/06/11/1192170611.db2.gz	ZZEMUSFZOSZNGR-SJORKVTESA-N	0	1	376.501	0.472	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC(=O)NCC#N)C1	ZINC001211676251	1192202797	/nfs/dbraw/zinc/20/27/97/1192202797.db2.gz	HBGDXAOYRYZXJV-HCXYKTFWSA-N	0	1	382.464	0.801	20	30		GCEDMN
C[C@@H](NC(=O)NCC(=O)NCC#N)c1cc(F)ccc1N1CCN(C)CC1	ZINC000511908890	1192203378	/nfs/dbraw/zinc/20/33/78/1192203378.db2.gz	FTDXKSFURGGZPO-CYBMUJFWSA-N	0	1	376.436	0.577	20	30		GCEDMN
N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1ccccc1	ZINC001211678283	1192205098	/nfs/dbraw/zinc/20/50/98/1192205098.db2.gz	MQPIDSSSSNNKNV-FQBWVUSXSA-N	0	1	382.464	0.778	20	30		GCEDMN
N#CCNC(=O)CNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000511920768	1192208087	/nfs/dbraw/zinc/20/80/87/1192208087.db2.gz	RUUPPVZPKAMVCJ-GFCCVEGCSA-N	0	1	381.318	0.852	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001481449767	1192218158	/nfs/dbraw/zinc/21/81/58/1192218158.db2.gz	MOPMLIGMLKKRBN-FPCVCCKLSA-N	0	1	378.473	0.394	20	30		GCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000662166666	1192251217	/nfs/dbraw/zinc/25/12/17/1192251217.db2.gz	CFFUXPHVWUNRKC-LSDHHAIUSA-N	0	1	397.497	0.479	20	30		GCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000662166198	1192251261	/nfs/dbraw/zinc/25/12/61/1192251261.db2.gz	VHRLSWGIRFTJLA-UONOGXRCSA-N	0	1	383.470	0.171	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1cn2c(n1)SCC2)c1ccn[nH]1	ZINC000278889191	1192331622	/nfs/dbraw/zinc/33/16/22/1192331622.db2.gz	ZGBYAARXXQGCAW-KGENOOAVSA-N	0	1	392.441	0.355	20	30		GCEDMN
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n1	ZINC000563106599	1192337745	/nfs/dbraw/zinc/33/77/45/1192337745.db2.gz	YGDLUQOEFXYNDT-DLBZAZTESA-N	0	1	379.420	0.643	20	30		GCEDMN
CN(C)[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccc(F)cc1	ZINC000585716323	1192396463	/nfs/dbraw/zinc/39/64/63/1192396463.db2.gz	JHUUECQCHVVENR-KRWDZBQOSA-N	0	1	375.448	0.649	20	30		GCEDMN
N#Cc1cncc(S(=O)(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)c1	ZINC000569537788	1192396882	/nfs/dbraw/zinc/39/68/82/1192396882.db2.gz	URTANWDIWOCOGL-UHFFFAOYSA-N	0	1	388.409	0.751	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(C)n(C)c1=O)c1ccn[nH]1	ZINC000279169795	1192477956	/nfs/dbraw/zinc/47/79/56/1192477956.db2.gz	CJKFTHDXYMKOEW-RCCKNPSSSA-N	0	1	375.385	0.017	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418908833	1192686854	/nfs/dbraw/zinc/68/68/54/1192686854.db2.gz	NKLCABJJSXINEQ-QZTJIDSGSA-N	0	1	397.479	0.770	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418961305	1192702576	/nfs/dbraw/zinc/70/25/76/1192702576.db2.gz	JNPHFHFJWAIMNL-ROUUACIJSA-N	0	1	397.479	0.376	20	30		GCEDMN
CC[C@@H](CO)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000536232082	1192710510	/nfs/dbraw/zinc/71/05/10/1192710510.db2.gz	MHHLQLGSZYMMST-INIZCTEOSA-N	0	1	394.497	0.094	20	30		GCEDMN
C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC3CCCCC3)CC2)C1=O	ZINC000410881514	1192912699	/nfs/dbraw/zinc/91/26/99/1192912699.db2.gz	CYQJJIATSOXZQN-GOSISDBHSA-N	0	1	390.528	0.956	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1	ZINC000969220877	1184204774	/nfs/dbraw/zinc/20/47/74/1184204774.db2.gz	GOJAVEOYGMZNJU-BDXSIMOUSA-N	0	1	384.436	0.617	20	30		GCEDMN
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000430270044	1184423991	/nfs/dbraw/zinc/42/39/91/1184423991.db2.gz	QTERQWAPHGIWHQ-BEFAXECRSA-N	0	1	389.525	0.915	20	30		GCEDMN
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000430270049	1184424195	/nfs/dbraw/zinc/42/41/95/1184424195.db2.gz	QTERQWAPHGIWHQ-DNVCBOLYSA-N	0	1	389.525	0.915	20	30		GCEDMN
N#CCCN(CCN1CCOCC1)CC1=Nc2ccccc2S(=O)(=O)N1	ZINC000471231461	1184482681	/nfs/dbraw/zinc/48/26/81/1184482681.db2.gz	IBLUCUDUJBCYRM-UHFFFAOYSA-N	0	1	377.470	0.556	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1	ZINC000970145539	1184590267	/nfs/dbraw/zinc/59/02/67/1184590267.db2.gz	VLUBDKPVHWRNOT-WCVJEAGWSA-N	0	1	377.441	0.234	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000430409215	1184680860	/nfs/dbraw/zinc/68/08/60/1184680860.db2.gz	MTQNWXABTGVCFM-NUJGCVRESA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1	ZINC000430411426	1184684594	/nfs/dbraw/zinc/68/45/94/1184684594.db2.gz	FKYRUVZDLKWCAL-KURKYZTESA-N	0	1	378.517	0.322	20	30		GCEDMN
CN1CCN(c2cc(CNC(=O)C(=O)Nc3cccc(C#N)n3)ccn2)CC1	ZINC000579228015	1184974472	/nfs/dbraw/zinc/97/44/72/1184974472.db2.gz	SAWZJCUPJKQJTB-UHFFFAOYSA-N	0	1	379.424	0.355	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@@H]1O	ZINC000970706126	1184975957	/nfs/dbraw/zinc/97/59/57/1184975957.db2.gz	BFZVVPRWDWLBSC-WCVJEAGWSA-N	0	1	377.441	0.234	20	30		GCEDMN
CC[C@H](CO)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000536232085	1185140888	/nfs/dbraw/zinc/14/08/88/1185140888.db2.gz	MHHLQLGSZYMMST-MRXNPFEDSA-N	0	1	394.497	0.094	20	30		GCEDMN
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1	ZINC000050150701	1185170180	/nfs/dbraw/zinc/17/01/80/1185170180.db2.gz	LVLVJZOQMQAJSW-QGZVFWFLSA-N	0	1	387.484	0.894	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000458024126	1185221701	/nfs/dbraw/zinc/22/17/01/1185221701.db2.gz	NUKUSEFCRGXBMR-NSHDSACASA-N	0	1	390.469	0.957	20	30		GCEDMN
CN1CCN(CCCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000580472609	1185243395	/nfs/dbraw/zinc/24/33/95/1185243395.db2.gz	NDHXPXXZWFAQQU-UHFFFAOYSA-N	0	1	378.498	0.227	20	30		GCEDMN
CCS(=O)(=O)N(C)CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000175829055	1185324590	/nfs/dbraw/zinc/32/45/90/1185324590.db2.gz	WFHHETNPDIDXFW-UHFFFAOYSA-N	0	1	378.498	0.874	20	30		GCEDMN
CN(CCC#N)S(=O)(=O)N(C)CCN1CCN(Cc2ccccc2)CC1	ZINC000510414200	1185647146	/nfs/dbraw/zinc/64/71/46/1185647146.db2.gz	QETGODDSRWYOOY-UHFFFAOYSA-N	0	1	379.530	0.826	20	30		GCEDMN
C=CCCN(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000276361973	1185767377	/nfs/dbraw/zinc/76/73/77/1185767377.db2.gz	FVZTXLVXWHNWOD-UHFFFAOYSA-N	0	1	381.498	0.832	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1nc2ccccc2[nH]1)c1cc[nH]n1	ZINC000276470567	1185834952	/nfs/dbraw/zinc/83/49/52/1185834952.db2.gz	CTYOYDZFDKMVRI-JJIBRWJFSA-N	0	1	384.396	0.929	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(C(=O)OCC)CC1)c1cc[nH]n1	ZINC000276503077	1185847686	/nfs/dbraw/zinc/84/76/86/1185847686.db2.gz	IBXNIOWTTKZBMP-HMMYKYKNSA-N	0	1	380.401	0.495	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCNC(=O)[C@H]1c1ccccc1)c1cc[nH]n1	ZINC000276516990	1185857399	/nfs/dbraw/zinc/85/73/99/1185857399.db2.gz	BXIMRQFQLDKPHT-BXDFRRGMSA-N	0	1	399.407	0.393	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CC(N)=O)C1CCCCC1)c1ccn[nH]1	ZINC000276588676	1185918015	/nfs/dbraw/zinc/91/80/15/1185918015.db2.gz	MSHSGZCHGKNVLN-IHLBYEDJSA-N	0	1	393.444	0.634	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CC(=O)OCC)CC(C)C)c1cc[nH]n1	ZINC000276629285	1185931545	/nfs/dbraw/zinc/93/15/45/1185931545.db2.gz	SIORIXGUXDNGDN-CAPFRKAQSA-N	0	1	382.417	0.741	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](C(=O)OCC)C1)c1cc[nH]n1	ZINC000276741981	1186011298	/nfs/dbraw/zinc/01/12/98/1186011298.db2.gz	VBUGLRISOVRPQF-FTRNENOISA-N	0	1	380.401	0.495	20	30		GCEDMN
CN1CCN(CCOc2ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc2)CC1	ZINC000510642424	1186044827	/nfs/dbraw/zinc/04/48/27/1186044827.db2.gz	AILZKNKSTINGEY-UHFFFAOYSA-N	0	1	387.484	0.917	20	30		GCEDMN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCCN3CCC[C@H]3C(N)=O)C2)n1	ZINC000471955218	1186161903	/nfs/dbraw/zinc/16/19/03/1186161903.db2.gz	WSBQGYCJQFMUFY-MSOLQXFVSA-N	0	1	398.511	0.934	20	30		GCEDMN
Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1	ZINC000276940835	1186165437	/nfs/dbraw/zinc/16/54/37/1186165437.db2.gz	JXBOVMQYRJRNBZ-UHFFFAOYSA-N	0	1	384.440	0.884	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000277134177	1186247257	/nfs/dbraw/zinc/24/72/57/1186247257.db2.gz	GEVNICRLSDPILD-MSOLQXFVSA-N	0	1	384.484	0.204	20	30		GCEDMN
Cc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1S(=O)(=O)NCC#N	ZINC000511032858	1186335618	/nfs/dbraw/zinc/33/56/18/1186335618.db2.gz	SASHWRFRKPMXCR-HNNXBMFYSA-N	0	1	393.513	0.163	20	30		GCEDMN
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCC(=O)N2CCNCC2)s1	ZINC000582474701	1186545659	/nfs/dbraw/zinc/54/56/59/1186545659.db2.gz	XBRHFRSUOCINOW-UHFFFAOYSA-N	0	1	377.470	0.404	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2nnc([C@@H]3CCOC3)[nH]2)cc1	ZINC001648916541	1186569404	/nfs/dbraw/zinc/56/94/04/1186569404.db2.gz	ZNZNYHUGSCWQTI-CQSZACIVSA-N	0	1	389.437	0.411	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2n[nH]c([C@@H]3CCOC3)n2)cc1	ZINC001648916541	1186569411	/nfs/dbraw/zinc/56/94/11/1186569411.db2.gz	ZNZNYHUGSCWQTI-CQSZACIVSA-N	0	1	389.437	0.411	20	30		GCEDMN
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000582572324	1186572725	/nfs/dbraw/zinc/57/27/25/1186572725.db2.gz	OOZICNUYSYWLFB-RDTXWAMCSA-N	0	1	399.470	0.945	20	30		GCEDMN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000582572324	1186572729	/nfs/dbraw/zinc/57/27/29/1186572729.db2.gz	OOZICNUYSYWLFB-RDTXWAMCSA-N	0	1	399.470	0.945	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCN(C2CCOCC2)CC1)c1ccn[nH]1	ZINC000277863445	1186653147	/nfs/dbraw/zinc/65/31/47/1186653147.db2.gz	BBFIAILLSWTBDR-HEHNFIMWSA-N	0	1	393.444	0.017	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccn[nH]1	ZINC000277863617	1186654029	/nfs/dbraw/zinc/65/40/29/1186654029.db2.gz	BEBCAKHGIVECJJ-DRXAPLQTSA-N	0	1	393.444	0.457	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCC[C@@H]1C(=O)OCC)c1cc[nH]n1	ZINC000278125044	1186791946	/nfs/dbraw/zinc/79/19/46/1186791946.db2.gz	MCEIHNGLWGIGGA-KCMXIOEKSA-N	0	1	380.401	0.638	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)OCC)C1)c1ccn[nH]1	ZINC000278264152	1186861098	/nfs/dbraw/zinc/86/10/98/1186861098.db2.gz	AIGDNMATAPGMEY-OHARDZCESA-N	0	1	381.389	0.041	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1	ZINC000583507045	1186873790	/nfs/dbraw/zinc/87/37/90/1186873790.db2.gz	RFFVCAMVISDMGA-SQNIBIBYSA-N	0	1	380.533	0.472	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)Cn3nnc4ccccc4c3=O)CC2)C1=O	ZINC000329205984	1186877433	/nfs/dbraw/zinc/87/74/33/1186877433.db2.gz	XYHVMDFHSAFVRC-INIZCTEOSA-N	0	1	384.440	0.443	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1	ZINC000329382068	1186927872	/nfs/dbraw/zinc/92/78/72/1186927872.db2.gz	QPPTUVGPAGSYCD-CYBMUJFWSA-N	0	1	375.429	0.696	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1	ZINC000329423323	1186936159	/nfs/dbraw/zinc/93/61/59/1186936159.db2.gz	FZPSGQLCBDKZOI-GOSISDBHSA-N	0	1	394.564	0.166	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccccc1OC)c1ccn[nH]1	ZINC000278488195	1186958716	/nfs/dbraw/zinc/95/87/16/1186958716.db2.gz	JTOCVVZXXUBTFS-KTNMXJNISA-N	0	1	390.396	0.552	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000584306764	1187029706	/nfs/dbraw/zinc/02/97/06/1187029706.db2.gz	ZKUPAGGFVQMEPA-GFCCVEGCSA-N	0	1	378.410	0.583	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCO[C@H]4C=C)C[C@H]32)CC1	ZINC000972606295	1187036608	/nfs/dbraw/zinc/03/66/08/1187036608.db2.gz	WXQCOWVUOSFJCZ-WTGUMLROSA-N	0	1	385.508	0.982	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)OC)c1cc[nH]n1	ZINC000278744492	1187044004	/nfs/dbraw/zinc/04/40/04/1187044004.db2.gz	STNVSHJAARDJFN-DFOWPNQCSA-N	0	1	380.401	0.494	20	30		GCEDMN
N#Cc1cc2c(n(CC(=O)N3CCNC3=O)c1=O)CCN(Cc1ccccc1)C2	ZINC000573221540	1187050188	/nfs/dbraw/zinc/05/01/88/1187050188.db2.gz	GQUACSXLVXMJNQ-UHFFFAOYSA-N	0	1	391.431	0.830	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1O	ZINC001023918927	1187169888	/nfs/dbraw/zinc/16/98/88/1187169888.db2.gz	BQJHLJVVJGPUEF-LIRZEXBASA-N	0	1	388.468	0.960	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@H]1O	ZINC001023939777	1187179733	/nfs/dbraw/zinc/17/97/33/1187179733.db2.gz	ONORTPIBJDLXDJ-ZDRJDWQYSA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1O	ZINC001023940085	1187180431	/nfs/dbraw/zinc/18/04/31/1187180431.db2.gz	XSMLDUXAASQJMY-NZPGVSJUSA-N	0	1	388.468	0.430	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@H]1O	ZINC001023942413	1187182676	/nfs/dbraw/zinc/18/26/76/1187182676.db2.gz	VYBLMZIIMZPECH-ZDRJDWQYSA-N	0	1	390.484	0.891	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@H]1O	ZINC001023957909	1187193398	/nfs/dbraw/zinc/19/33/98/1187193398.db2.gz	DUHZGWMOATZAHM-YYQUZTFQSA-N	0	1	384.436	0.846	20	30		GCEDMN
CC[C@@H]1[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCN1CC#CCOC	ZINC001691482740	1187193508	/nfs/dbraw/zinc/19/35/08/1187193508.db2.gz	SSEGVWQAPUDRCK-YJNKXOJESA-N	0	1	378.391	0.952	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1O	ZINC001023960433	1187196312	/nfs/dbraw/zinc/19/63/12/1187196312.db2.gz	LDRCHUKVCASMJM-JXJLXUTGSA-N	0	1	384.383	0.630	20	30		GCEDMN
C=CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000685799775	1187571125	/nfs/dbraw/zinc/57/11/25/1187571125.db2.gz	DPSDAJXEPAHIHG-JKSUJKDBSA-N	0	1	396.513	0.685	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1	ZINC001024784507	1187621016	/nfs/dbraw/zinc/62/10/16/1187621016.db2.gz	UDXMILDFRQEALP-TUVASFSCSA-N	0	1	376.457	0.356	20	30		GCEDMN
CN1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)[C@H]2C1	ZINC000580413513	1187682874	/nfs/dbraw/zinc/68/28/74/1187682874.db2.gz	OTMGAOYPKJRESE-YJBOKZPZSA-N	0	1	382.468	0.154	20	30		GCEDMN
C=CCn1c(C2CC2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C	ZINC000414219144	1187768177	/nfs/dbraw/zinc/76/81/77/1187768177.db2.gz	HCMHUBSYVQTAKL-NSHDSACASA-N	0	1	383.474	0.986	20	30		GCEDMN
C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)C(C)C(=O)NC(N)=O	ZINC000414217924	1187768542	/nfs/dbraw/zinc/76/85/42/1187768542.db2.gz	FDRYCRKZIDFICZ-NSHDSACASA-N	0	1	377.426	0.797	20	30		GCEDMN
C=CCn1c(-c2ccco2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC1CC1	ZINC000414217849	1187768635	/nfs/dbraw/zinc/76/86/35/1187768635.db2.gz	DTUUQJQVTRPICY-SNVBAGLBSA-N	0	1	393.425	0.875	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1	ZINC000249427355	1187825153	/nfs/dbraw/zinc/82/51/53/1187825153.db2.gz	YJRKOALZVHTYBB-ZWKOTPCHSA-N	0	1	379.549	0.456	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)[C@@H](C)C2)CC1	ZINC000249427355	1187825157	/nfs/dbraw/zinc/82/51/57/1187825157.db2.gz	YJRKOALZVHTYBB-ZWKOTPCHSA-N	0	1	379.549	0.456	20	30		GCEDMN
Cc1cc(S(=O)(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)ccc1C#N	ZINC000414463024	1187956269	/nfs/dbraw/zinc/95/62/69/1187956269.db2.gz	VJMDWDWKKKIREF-INIZCTEOSA-N	0	1	399.538	0.996	20	30		GCEDMN
Cc1cc(S(=O)(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1C#N	ZINC000414463026	1187956742	/nfs/dbraw/zinc/95/67/42/1187956742.db2.gz	VJMDWDWKKKIREF-MRXNPFEDSA-N	0	1	399.538	0.996	20	30		GCEDMN
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)ccc1F	ZINC000415325711	1188035292	/nfs/dbraw/zinc/03/52/92/1188035292.db2.gz	GZRLRRUVEHNLSR-CYBMUJFWSA-N	0	1	387.415	0.306	20	30		GCEDMN
N#Cc1cnn(-c2ccc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)cc2)c1N	ZINC000377567367	1188076380	/nfs/dbraw/zinc/07/63/80/1188076380.db2.gz	OEPHSWUGWXNTFL-ZWKOTPCHSA-N	0	1	380.452	0.997	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1	ZINC000583841346	1188085926	/nfs/dbraw/zinc/08/59/26/1188085926.db2.gz	PIAUROQTMXZHPT-HUUCEWRRSA-N	0	1	394.497	0.452	20	30		GCEDMN
N#C[C@@H](C(=O)CCc1nc[nH]n1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000759832806	1189772443	/nfs/dbraw/zinc/77/24/43/1189772443.db2.gz	IIWJSSSIDKUNIA-HNNXBMFYSA-N	0	1	397.395	0.703	20	30		GCEDMN
Cc1ccc(C(=O)N2CCN(C)CCN(C)CC2)cc1S(=O)(=O)NCC#N	ZINC000888992225	1189788880	/nfs/dbraw/zinc/78/88/80/1189788880.db2.gz	BAPZCOIDGCUZOU-UHFFFAOYSA-N	0	1	393.513	0.116	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)CC1	ZINC000975360135	1189938358	/nfs/dbraw/zinc/93/83/58/1189938358.db2.gz	GEMSUUDUVBOZFD-WAPOTWQKSA-N	0	1	385.508	0.958	20	30		GCEDMN
CCN1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000429922930	1193802005	/nfs/dbraw/zinc/80/20/05/1193802005.db2.gz	XHAJLRJIFWYWJI-UHFFFAOYSA-N	0	1	384.415	1.376	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1OCC	ZINC000982765297	1193889515	/nfs/dbraw/zinc/88/95/15/1193889515.db2.gz	CAYONNIRKOXVDN-NRSFXHEJSA-N	0	1	390.484	0.913	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000894187272	1193897618	/nfs/dbraw/zinc/89/76/18/1193897618.db2.gz	XAEQVZGUXIGXQS-JKSUJKDBSA-N	0	1	394.520	0.634	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1	ZINC000982866107	1193980427	/nfs/dbraw/zinc/98/04/27/1193980427.db2.gz	MOMLJSMUNOPQGM-LBCBGTHCSA-N	0	1	385.508	0.720	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)c1cc[nH]n1	ZINC000280474134	1193998815	/nfs/dbraw/zinc/99/88/15/1193998815.db2.gz	JJFFAWRGYYDHSJ-CQHJRZBDSA-N	0	1	394.428	0.490	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCN1	ZINC000419612468	1194073628	/nfs/dbraw/zinc/07/36/28/1194073628.db2.gz	IPOGJQNHYNYVGH-UHFFFAOYSA-N	0	1	385.468	0.970	20	30		GCEDMN
C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000419715051	1194091175	/nfs/dbraw/zinc/09/11/75/1194091175.db2.gz	AAPMIKHWYRWIRM-HOBHPSKFSA-N	0	1	385.468	0.968	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](OCC)C1	ZINC000982941390	1194215880	/nfs/dbraw/zinc/21/58/80/1194215880.db2.gz	ORWLPGDGHAKKJY-QXSJWSMHSA-N	0	1	391.472	0.769	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](OCC)C1	ZINC000982941390	1194215885	/nfs/dbraw/zinc/21/58/85/1194215885.db2.gz	ORWLPGDGHAKKJY-QXSJWSMHSA-N	0	1	391.472	0.769	20	30		GCEDMN
CCN(CCOCCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000503391524	1194661280	/nfs/dbraw/zinc/66/12/80/1194661280.db2.gz	MDVWQXBKYVNVHJ-MRXNPFEDSA-N	0	1	380.514	0.788	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CCN1	ZINC000423212379	1194737506	/nfs/dbraw/zinc/73/75/06/1194737506.db2.gz	IJGAUCOSZDQVRG-OAHLLOKOSA-N	0	1	392.463	0.575	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)N1	ZINC000423229139	1194741931	/nfs/dbraw/zinc/74/19/31/1194741931.db2.gz	GMCPTRPLQRDDLB-GASCZTMLSA-N	0	1	397.479	0.944	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)N1	ZINC000423229141	1194742129	/nfs/dbraw/zinc/74/21/29/1194742129.db2.gz	GMCPTRPLQRDDLB-HUUCEWRRSA-N	0	1	397.479	0.944	20	30		GCEDMN
N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C[C@@]12C(=O)Nc1ccccc12	ZINC000423557036	1194763467	/nfs/dbraw/zinc/76/34/67/1194763467.db2.gz	HNXAWOMZYGGHCC-FQSKDFRHSA-N	0	1	393.447	0.211	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000423727518	1194789842	/nfs/dbraw/zinc/78/98/42/1194789842.db2.gz	VEHKTAJTQWTISB-CQSZACIVSA-N	0	1	390.513	0.572	20	30		GCEDMN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H](O)CN1CCOCC1	ZINC000434981895	1194880333	/nfs/dbraw/zinc/88/03/33/1194880333.db2.gz	MJCVAAOJEQQPOM-SFANZJOMSA-N	0	1	380.533	0.931	20	30		GCEDMN
N#CCCn1cc(CN(CCO)CCN2CCOCC2)c(-c2ccncc2)n1	ZINC000435131826	1194891773	/nfs/dbraw/zinc/89/17/73/1194891773.db2.gz	SZMWIRNHGAANAR-UHFFFAOYSA-N	0	1	384.484	0.985	20	30		GCEDMN
C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000516491578	1195057224	/nfs/dbraw/zinc/05/72/24/1195057224.db2.gz	BVCMVFYDDZFLEB-BLLLJJGKSA-N	0	1	398.510	0.249	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)N1C[C@@]2(F)C(=O)N(C3COC3)C[C@@]2(F)C1	ZINC001270292454	1195177314	/nfs/dbraw/zinc/17/73/14/1195177314.db2.gz	PWJBLZOKWXELFJ-MZPVMMEZSA-N	0	1	381.404	0.930	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)N1C[C@@]2(F)C(=O)N(C3COC3)C[C@@]2(F)C1	ZINC001270292455	1195177434	/nfs/dbraw/zinc/17/74/34/1195177434.db2.gz	PWJBLZOKWXELFJ-ZTFRIQLXSA-N	0	1	381.404	0.930	20	30		GCEDMN
CC(=O)[C@H](C)N1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270294107	1195181259	/nfs/dbraw/zinc/18/12/59/1195181259.db2.gz	WOVSXYMVDYVKIK-GXTWGEPZSA-N	0	1	375.450	0.848	20	30		GCEDMN
C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000439344046	1195310129	/nfs/dbraw/zinc/31/01/29/1195310129.db2.gz	JMNXYIUPPWRKHW-ZDUSSCGKSA-N	0	1	384.415	1.374	20	30		GCEDMN
C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000439359882	1195314045	/nfs/dbraw/zinc/31/40/45/1195314045.db2.gz	OPRPPFHZIBYVOE-CYBMUJFWSA-N	0	1	384.415	1.374	20	30		GCEDMN
C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000439359882	1195314050	/nfs/dbraw/zinc/31/40/50/1195314050.db2.gz	OPRPPFHZIBYVOE-CYBMUJFWSA-N	0	1	384.415	1.374	20	30		GCEDMN
C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000439364565	1195314249	/nfs/dbraw/zinc/31/42/49/1195314249.db2.gz	ZYFDIRIVZAHQCH-AWEZNQCLSA-N	0	1	381.440	0.689	20	30		GCEDMN
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1(C#N)CCN(C)CC1	ZINC000518817181	1195337399	/nfs/dbraw/zinc/33/73/99/1195337399.db2.gz	FRLUUTYJJXPCGG-UHFFFAOYSA-N	0	1	393.513	0.917	20	30		GCEDMN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000440352291	1195409211	/nfs/dbraw/zinc/40/92/11/1195409211.db2.gz	FTFSSVMHVVIQEU-MRXNPFEDSA-N	0	1	376.482	0.699	20	30		GCEDMN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1	ZINC000440354778	1195409969	/nfs/dbraw/zinc/40/99/69/1195409969.db2.gz	LPEHZDYWTAQIPR-QGZVFWFLSA-N	0	1	376.482	0.532	20	30		GCEDMN
Cc1nsc(N2CCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000519849405	1195577619	/nfs/dbraw/zinc/57/76/19/1195577619.db2.gz	LDFYIEGITUHECB-DZKIICNBSA-N	0	1	379.530	0.915	20	30		GCEDMN
C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1nnc[nH]1	ZINC000441354274	1195625269	/nfs/dbraw/zinc/62/52/69/1195625269.db2.gz	IBIQSFNUGKHFRJ-SECBINFHSA-N	0	1	384.787	1.331	20	30		GCEDMN
C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1nnc[nH]1	ZINC000441359208	1195625919	/nfs/dbraw/zinc/62/59/19/1195625919.db2.gz	QRFYTTMKBMPAQS-SECBINFHSA-N	0	1	384.787	1.331	20	30		GCEDMN
C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)CN1CCN(C)CC1	ZINC000328617175	1195656957	/nfs/dbraw/zinc/65/69/57/1195656957.db2.gz	TZPXGDBBQZRGMZ-BRWVUGGUSA-N	0	1	386.562	0.826	20	30		GCEDMN
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)C1	ZINC000328661609	1195657915	/nfs/dbraw/zinc/65/79/15/1195657915.db2.gz	AFCYHNJCOOWAKJ-HZPDHXFCSA-N	0	1	388.534	0.226	20	30		GCEDMN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)n1	ZINC000328663343	1195658542	/nfs/dbraw/zinc/65/85/42/1195658542.db2.gz	BADVWHZAMJZFHC-HZPDHXFCSA-N	0	1	398.533	0.802	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)N1CCN(C)CC1	ZINC000328704273	1195662022	/nfs/dbraw/zinc/66/20/22/1195662022.db2.gz	YETPLNDZQNRJPB-CVEARBPZSA-N	0	1	389.566	0.186	20	30		GCEDMN
CN1CC[C@@H]2OCCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@H]2C1	ZINC000328995342	1195684782	/nfs/dbraw/zinc/68/47/82/1195684782.db2.gz	FHGJAMRSWNNHBZ-IRXDYDNUSA-N	0	1	396.513	0.238	20	30		GCEDMN
CC(C)N1CCO[C@H](CN2CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)C1	ZINC000330652014	1195699049	/nfs/dbraw/zinc/69/90/49/1195699049.db2.gz	LCBHOUZIMSKYRR-DLBZAZTESA-N	0	1	397.564	0.930	20	30		GCEDMN
Cc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)cc1S(=O)(=O)NCC#N	ZINC000330702261	1195703958	/nfs/dbraw/zinc/70/39/58/1195703958.db2.gz	OTJHLQBUPCVWER-HNNXBMFYSA-N	0	1	379.486	0.347	20	30		GCEDMN
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1	ZINC000330805292	1195708630	/nfs/dbraw/zinc/70/86/30/1195708630.db2.gz	HGQTYCDRWIONKH-INIZCTEOSA-N	0	1	398.548	0.999	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCN(CC(C)(C)O)CC2)c1C	ZINC000330850414	1195711663	/nfs/dbraw/zinc/71/16/63/1195711663.db2.gz	ZTMLGXWTLYFLQA-UHFFFAOYSA-N	0	1	384.502	0.885	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1	ZINC000331027026	1195715831	/nfs/dbraw/zinc/71/58/31/1195715831.db2.gz	VPXDIJJXEDUKCX-OAHLLOKOSA-N	0	1	384.502	0.993	20	30		GCEDMN
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)CC2)c1	ZINC000330992754	1195716320	/nfs/dbraw/zinc/71/63/20/1195716320.db2.gz	NFOZUNRNXNVCON-AWEZNQCLSA-N	0	1	398.529	0.958	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(CC(C)(C)O)CC2)cc1	ZINC000330997974	1195717072	/nfs/dbraw/zinc/71/70/72/1195717072.db2.gz	PHUDTFOTDFAVLI-UHFFFAOYSA-N	0	1	398.529	0.739	20	30		GCEDMN
CNC(=O)[C@H]1CCCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1	ZINC000331206682	1195723907	/nfs/dbraw/zinc/72/39/07/1195723907.db2.gz	ZUJLBAFCRJADKE-INIZCTEOSA-N	0	1	395.548	0.985	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1	ZINC000331221267	1195724631	/nfs/dbraw/zinc/72/46/31/1195724631.db2.gz	JUWOGEUWUMBAPM-HNNXBMFYSA-N	0	1	384.521	0.705	20	30		GCEDMN
CNS(=O)(=O)c1cccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1	ZINC000331307293	1195728444	/nfs/dbraw/zinc/72/84/44/1195728444.db2.gz	WFDDASJYOLWRNS-CYBMUJFWSA-N	0	1	384.502	0.917	20	30		GCEDMN
CCOC(=O)c1cnn(C)c1NC(=O)CN(C)CCCc1[nH]nc(N)c1C#N	ZINC000536341918	1195739593	/nfs/dbraw/zinc/73/95/93/1195739593.db2.gz	XWDPZXAHJSKMLK-UHFFFAOYSA-N	0	1	388.432	0.277	20	30		GCEDMN
Cc1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1S(=O)(=O)NCC#N	ZINC000520502674	1195774098	/nfs/dbraw/zinc/77/40/98/1195774098.db2.gz	MGEGHEIYFWESKY-UHFFFAOYSA-N	0	1	376.482	0.965	20	30		GCEDMN
Cc1ccc(C(=O)N[C@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)NCC#N	ZINC000521757373	1196015859	/nfs/dbraw/zinc/01/58/59/1196015859.db2.gz	MCFZCGIJWFOMTK-OAHLLOKOSA-N	0	1	393.513	0.163	20	30		GCEDMN
C#CCN1CCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1	ZINC000895803701	1196112953	/nfs/dbraw/zinc/11/29/53/1196112953.db2.gz	JRHLSRNDOHZKHL-UHFFFAOYSA-N	0	1	377.514	0.527	20	30		GCEDMN
CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@H]3CCN(C)C[C@@H]32)c1	ZINC000329020741	1196156739	/nfs/dbraw/zinc/15/67/39/1196156739.db2.gz	LXHLUVDPYFCXGH-IRXDYDNUSA-N	0	1	396.513	0.930	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)CC2	ZINC000329073989	1196161196	/nfs/dbraw/zinc/16/11/96/1196161196.db2.gz	PBXLJIVMHMQUML-BARDWOONSA-N	0	1	379.461	0.515	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](N3CCOCC3)C[C@H]2C)CC1	ZINC000329079297	1196161791	/nfs/dbraw/zinc/16/17/91/1196161791.db2.gz	QUFJOBUMKMWUJJ-QYZOEREBSA-N	0	1	377.533	0.474	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)C1	ZINC000329114484	1196165879	/nfs/dbraw/zinc/16/58/79/1196165879.db2.gz	HTJKIIFLWDTUKV-CABCVRRESA-N	0	1	396.517	0.958	20	30		GCEDMN
CCC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCN1CCOC	ZINC000329132407	1196166635	/nfs/dbraw/zinc/16/66/35/1196166635.db2.gz	PEYQRPWBAOFXOC-HZPDHXFCSA-N	0	1	390.550	0.757	20	30		GCEDMN
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)CN1CCN(C)CC1	ZINC000329152223	1196169670	/nfs/dbraw/zinc/16/96/70/1196169670.db2.gz	SXKSLIXJURRVRP-PBHICJAKSA-N	0	1	378.521	0.960	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@](O)(C(=O)N3CCCC3)C1)CC2	ZINC000329151087	1196169799	/nfs/dbraw/zinc/16/97/99/1196169799.db2.gz	ZXFNOEILTFUBHK-KDOFPFPSSA-N	0	1	376.461	0.265	20	30		GCEDMN
Cn1cc(-n2cc(C(=O)NC3CCN([C@H]4CCN(C)C4=O)CC3)ccc2=O)cn1	ZINC000329206765	1196175770	/nfs/dbraw/zinc/17/57/70/1196175770.db2.gz	YHHNKYHFGZMKJL-KRWDZBQOSA-N	0	1	398.467	0.571	20	30		GCEDMN
CC(C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCN(C)CC1	ZINC000329230286	1196178174	/nfs/dbraw/zinc/17/81/74/1196178174.db2.gz	JXWWDGJASMTWHS-JKSUJKDBSA-N	0	1	389.566	0.138	20	30		GCEDMN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000329299505	1196183457	/nfs/dbraw/zinc/18/34/57/1196183457.db2.gz	LZDAZVJAQMFOQZ-HUUCEWRRSA-N	0	1	396.517	0.833	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)CC2	ZINC000329313465	1196184876	/nfs/dbraw/zinc/18/48/76/1196184876.db2.gz	GUMWZVREENAPTR-HZSPNIEDSA-N	0	1	378.477	0.856	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)CC2	ZINC000329313465	1196184878	/nfs/dbraw/zinc/18/48/78/1196184878.db2.gz	GUMWZVREENAPTR-HZSPNIEDSA-N	0	1	378.477	0.856	20	30		GCEDMN
CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)CC2	ZINC000329334184	1196186311	/nfs/dbraw/zinc/18/63/11/1196186311.db2.gz	KONJZHNPCBQEHP-ZDUSSCGKSA-N	0	1	398.533	0.986	20	30		GCEDMN
Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n[nH]1	ZINC000329339978	1196186683	/nfs/dbraw/zinc/18/66/83/1196186683.db2.gz	OBBJHNXBBOCSGJ-XJKSGUPXSA-N	0	1	399.517	0.690	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@H]1CCCN1S(C)(=O)=O)CC2	ZINC000329350324	1196187751	/nfs/dbraw/zinc/18/77/51/1196187751.db2.gz	SYECEOWFHRHMIQ-CHWSQXEVSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)CC2	ZINC000329350324	1196187754	/nfs/dbraw/zinc/18/77/54/1196187754.db2.gz	SYECEOWFHRHMIQ-CHWSQXEVSA-N	0	1	384.506	0.644	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1	ZINC000329422333	1196194385	/nfs/dbraw/zinc/19/43/85/1196194385.db2.gz	FMJZQHWPXVAJFH-INIZCTEOSA-N	0	1	380.514	0.925	20	30		GCEDMN
CN1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CN(C)CCN3C)ccn2)CC1	ZINC000329472468	1196199554	/nfs/dbraw/zinc/19/95/54/1196199554.db2.gz	ZKEDXXTUZYHPBG-INIZCTEOSA-N	0	1	389.504	0.041	20	30		GCEDMN
Cc1cc(N2CCC[C@H](NC(=O)N3CCN(C[C@H](C)O)C[C@H]3C)C2)n(C)n1	ZINC000329510676	1196202050	/nfs/dbraw/zinc/20/20/50/1196202050.db2.gz	MSIWLNAOFQVWLC-IKGGRYGDSA-N	0	1	378.521	0.998	20	30		GCEDMN
C=C(C)C[C@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2	ZINC001719896868	1196204241	/nfs/dbraw/zinc/20/42/41/1196204241.db2.gz	VXRVNRQRHSYCFE-BDXSIMOUSA-N	0	1	376.501	0.801	20	30		GCEDMN
N#CCCCOc1cccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1	ZINC000522536251	1196221137	/nfs/dbraw/zinc/22/11/37/1196221137.db2.gz	DSWWECJMHUNUQW-RBUKOAKNSA-N	0	1	393.509	0.957	20	30		GCEDMN
N#CCCCOc1cccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1	ZINC000522536252	1196221247	/nfs/dbraw/zinc/22/12/47/1196221247.db2.gz	DSWWECJMHUNUQW-RTBURBONSA-N	0	1	393.509	0.957	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H]1CCN(CC(F)(F)F)C1=O)CC2	ZINC000329810280	1196232552	/nfs/dbraw/zinc/23/25/52/1196232552.db2.gz	QPJVCKZZRMSNHY-ZJUUUORDSA-N	0	1	390.366	0.406	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1CN1CCOCC1)CC2	ZINC000329838247	1196233779	/nfs/dbraw/zinc/23/37/79/1196233779.db2.gz	NGCCTRCKOZBUIN-HUUCEWRRSA-N	0	1	378.477	0.450	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)cc1	ZINC000569941451	1196234619	/nfs/dbraw/zinc/23/46/19/1196234619.db2.gz	PTJBHAAUFGLMJS-GHMZBOCLSA-N	0	1	398.470	0.377	20	30		GCEDMN
C[C@@H](NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1)C(=O)N1CCCCC1	ZINC000329904101	1196237913	/nfs/dbraw/zinc/23/79/13/1196237913.db2.gz	QUMLLSGGUVNFBQ-CQSZACIVSA-N	0	1	388.534	0.700	20	30		GCEDMN
O=C(NC[C@H]1CCc2nccn2C1)N1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000329928237	1196239776	/nfs/dbraw/zinc/23/97/76/1196239776.db2.gz	XTTPYYXALFVRLU-HUUCEWRRSA-N	0	1	381.502	0.859	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@@]3(CCOC3)OC(C)(C)C1)CC2	ZINC000329938717	1196240980	/nfs/dbraw/zinc/24/09/80/1196240980.db2.gz	ANFMKIPBDQOECB-FZKQIMNGSA-N	0	1	379.461	0.923	20	30		GCEDMN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C[C@H]2CCOC2)CC1	ZINC000329976676	1196243716	/nfs/dbraw/zinc/24/37/16/1196243716.db2.gz	YXINFJMWIVBBIX-CABCVRRESA-N	0	1	378.477	0.828	20	30		GCEDMN
C[C@@H]1CN(C(=O)N[C@H]2CCn3ccnc3C2)CCN1c1nccn2cnnc12	ZINC000330182689	1196258584	/nfs/dbraw/zinc/25/85/84/1196258584.db2.gz	HKNJKVAHUQZUBL-KGLIPLIRSA-N	0	1	381.444	0.760	20	30		GCEDMN
Cc1cc(N=C([O-])CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cn(C)c1=O	ZINC000330210775	1196259931	/nfs/dbraw/zinc/25/99/31/1196259931.db2.gz	CNACJATYJYFYAS-MRXNPFEDSA-N	0	1	376.457	0.995	20	30		GCEDMN
CSC1(CNC(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)CCOCC1	ZINC000330275118	1196262852	/nfs/dbraw/zinc/26/28/52/1196262852.db2.gz	LBIPHKDJFDXINZ-LBPRGKRZSA-N	0	1	382.490	0.840	20	30		GCEDMN
COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H]1C	ZINC000469855657	1196317292	/nfs/dbraw/zinc/31/72/92/1196317292.db2.gz	QIYSFFIHNSDBKL-TZMCWYRMSA-N	0	1	375.429	0.387	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO	ZINC000281708254	1196324416	/nfs/dbraw/zinc/32/44/16/1196324416.db2.gz	CQQJJYOEQPVEMR-KBAYOESNSA-N	0	1	380.514	0.795	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@@H]1C	ZINC000330870184	1196358212	/nfs/dbraw/zinc/35/82/12/1196358212.db2.gz	XFPYNQUIPYIZJR-KBPBESRZSA-N	0	1	384.502	0.859	20	30		GCEDMN
N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1	ZINC001088104694	1196359713	/nfs/dbraw/zinc/35/97/13/1196359713.db2.gz	VQKYNSVOKHYJOA-YDZRNGNQSA-N	0	1	382.464	0.871	20	30		GCEDMN
N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1	ZINC000440097735	1196448092	/nfs/dbraw/zinc/44/80/92/1196448092.db2.gz	FDDVFAYQSZPALY-UHFFFAOYSA-N	0	1	376.376	0.831	20	30		GCEDMN
COc1ccc(-c2n[nH]c(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)n2)cc1	ZINC000444582522	1196506735	/nfs/dbraw/zinc/50/67/35/1196506735.db2.gz	OZLHISGTWLOUPN-UHFFFAOYSA-N	0	1	394.395	0.845	20	30		GCEDMN
COc1ccc(-c2nc(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)n[nH]2)cc1	ZINC000444582522	1196506738	/nfs/dbraw/zinc/50/67/38/1196506738.db2.gz	OZLHISGTWLOUPN-UHFFFAOYSA-N	0	1	394.395	0.845	20	30		GCEDMN
Cc1cc(C#N)ccc1S(=O)(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000467496450	1196560625	/nfs/dbraw/zinc/56/06/25/1196560625.db2.gz	WXFJKGYYFPXOKR-INIZCTEOSA-N	0	1	399.538	0.996	20	30		GCEDMN
N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000446455564	1196642818	/nfs/dbraw/zinc/64/28/18/1196642818.db2.gz	KQVBPIJESAKGNR-UHFFFAOYSA-N	0	1	375.392	1.543	20	30		GCEDMN
Cc1nc(C#N)c(N2CCC(C(=O)NCCCN3CCC[C@H]3C(N)=O)CC2)o1	ZINC000526996914	1196754615	/nfs/dbraw/zinc/75/46/15/1196754615.db2.gz	YWPXONWWWBZPAG-INIZCTEOSA-N	0	1	388.472	0.527	20	30		GCEDMN
N#CC1(NC(=O)CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)CCC1	ZINC000527368588	1196781445	/nfs/dbraw/zinc/78/14/45/1196781445.db2.gz	MQYPANKFXXBQSY-FQEVSTJZSA-N	0	1	381.436	0.745	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448953377	1196841712	/nfs/dbraw/zinc/84/17/12/1196841712.db2.gz	IACYHXIKECVEMF-HOCLYGCPSA-N	0	1	389.887	0.927	20	30		GCEDMN
C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000451278204	1196984570	/nfs/dbraw/zinc/98/45/70/1196984570.db2.gz	OAGLNCHRNQSZER-CQSZACIVSA-N	0	1	393.513	0.653	20	30		GCEDMN
COCCN1CC[C@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1	ZINC000530408033	1196985817	/nfs/dbraw/zinc/98/58/17/1196985817.db2.gz	AGHZAVOTHYBXFY-HNNXBMFYSA-N	0	1	375.477	0.153	20	30		GCEDMN
C[C@H]1C[C@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000530413913	1196986351	/nfs/dbraw/zinc/98/63/51/1196986351.db2.gz	QJMQEONKJXZFSS-KBPBESRZSA-N	0	1	385.424	0.910	20	30		GCEDMN
C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000451929742	1197024790	/nfs/dbraw/zinc/02/47/90/1197024790.db2.gz	QCBUUASDUSWUJL-AEFFLSMTSA-N	0	1	378.498	0.909	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000532283256	1197138469	/nfs/dbraw/zinc/13/84/69/1197138469.db2.gz	BJZXCJHJFSLRGT-LJQANCHMSA-N	0	1	375.473	0.981	20	30		GCEDMN
CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C3CC3)nn2)C1	ZINC000349468841	1197260127	/nfs/dbraw/zinc/26/01/27/1197260127.db2.gz	ADZIUHSALDTLTK-UHFFFAOYSA-N	0	1	399.498	0.661	20	30		GCEDMN
COC1CCN(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1	ZINC000610573078	1197264451	/nfs/dbraw/zinc/26/44/51/1197264451.db2.gz	VICBCMAECZWFNQ-UHFFFAOYSA-N	0	1	394.497	0.719	20	30		GCEDMN
C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1CC1	ZINC000052128355	1197279809	/nfs/dbraw/zinc/27/98/09/1197279809.db2.gz	XNZARNHYMJQUBV-UHFFFAOYSA-N	0	1	376.482	0.733	20	30		GCEDMN
C#CCN1CC2(CN(C(=O)c3ccc(O)c(Br)c3)C2)OCC1=O	ZINC001272063614	1197306812	/nfs/dbraw/zinc/30/68/12/1197306812.db2.gz	MPRKRVDRKNCOLE-UHFFFAOYSA-N	0	1	379.210	0.841	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)n(CCC#N)n1	ZINC000533004994	1197426107	/nfs/dbraw/zinc/42/61/07/1197426107.db2.gz	UBLXMABKTYKFKE-UHFFFAOYSA-N	0	1	388.472	0.615	20	30		GCEDMN
N#Cc1ccsc1NC(=O)CCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000533383689	1197448714	/nfs/dbraw/zinc/44/87/14/1197448714.db2.gz	XUYFXEKDUKZCQQ-UONOGXRCSA-N	0	1	398.510	0.036	20	30		GCEDMN
N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1	ZINC000533572689	1197459054	/nfs/dbraw/zinc/45/90/54/1197459054.db2.gz	HCFXOKMGAHZHSW-ZDUSSCGKSA-N	0	1	389.441	0.411	20	30		GCEDMN
C#CCN1C(=O)COCC12CN(C(=O)c1cc(Br)c(O)cc1O)C2	ZINC001272112854	1197519073	/nfs/dbraw/zinc/51/90/73/1197519073.db2.gz	LECJEWPZSCRCCG-UHFFFAOYSA-N	0	1	395.209	0.547	20	30		GCEDMN
C#CCN1CCC[C@H]1COC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC000729810109	1197525287	/nfs/dbraw/zinc/52/52/87/1197525287.db2.gz	UKULFZKFETYZPN-AWEZNQCLSA-N	0	1	376.409	0.822	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@]2(F)CCOC2)C3)CC1	ZINC000999569020	1198952374	/nfs/dbraw/zinc/95/23/74/1198952374.db2.gz	UMIXLWPCRQZBID-NHAYFPRASA-N	0	1	377.460	0.708	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H](OC)C1	ZINC000946584864	1199823412	/nfs/dbraw/zinc/82/34/12/1199823412.db2.gz	CXMJEQMQRHKXHD-MXYBEHONSA-N	0	1	378.429	0.063	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCc4[nH]nnc4C2)C3)c1	ZINC001004336399	1199862147	/nfs/dbraw/zinc/86/21/47/1199862147.db2.gz	OIBHETWMBNOTTP-RYPCIWMOSA-N	0	1	379.424	0.671	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCc4nn[nH]c4C2)C3)c1	ZINC001004336399	1199862151	/nfs/dbraw/zinc/86/21/51/1199862151.db2.gz	OIBHETWMBNOTTP-RYPCIWMOSA-N	0	1	379.424	0.671	20	30		GCEDMN
CNC(=O)CC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000175012513	1200414662	/nfs/dbraw/zinc/41/46/62/1200414662.db2.gz	WJJJYVUGYBJRRC-UHFFFAOYSA-N	0	1	388.472	0.351	20	30		GCEDMN
N#CCCn1ccc(NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)n1	ZINC000602852293	1200670096	/nfs/dbraw/zinc/67/00/96/1200670096.db2.gz	OWNXNEKZYRJEOL-MRXNPFEDSA-N	0	1	375.477	0.715	20	30		GCEDMN
N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCc3nc[nH]n3)n2)c(Cl)c1	ZINC000543930653	1200685866	/nfs/dbraw/zinc/68/58/66/1200685866.db2.gz	MITCXEHYGFURAE-UHFFFAOYSA-N	0	1	384.787	0.813	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000538073467	1200713210	/nfs/dbraw/zinc/71/32/10/1200713210.db2.gz	AMFCLVCFEOPCHN-HNNXBMFYSA-N	0	1	376.461	0.747	20	30		GCEDMN
Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)n[nH]1	ZINC000460736189	1200763935	/nfs/dbraw/zinc/76/39/35/1200763935.db2.gz	OMOASUMICYMGAB-LBPRGKRZSA-N	0	1	392.423	1.165	20	30		GCEDMN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)n1	ZINC000367344442	1200776206	/nfs/dbraw/zinc/77/62/06/1200776206.db2.gz	YEMVRSZFYWYPQB-OAHLLOKOSA-N	0	1	388.472	0.845	20	30		GCEDMN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)n1	ZINC000367662310	1200776412	/nfs/dbraw/zinc/77/64/12/1200776412.db2.gz	VSTKOPWFSCVQKK-UHFFFAOYSA-N	0	1	388.472	0.845	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2	ZINC000923275265	1200919233	/nfs/dbraw/zinc/91/92/33/1200919233.db2.gz	YSDSXACDWUWBII-BMFZPTHFSA-N	0	1	376.482	0.920	20	30		GCEDMN
COC(=O)Cc1csc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)n1	ZINC000545904683	1201132730	/nfs/dbraw/zinc/13/27/30/1201132730.db2.gz	GUIRHVBMFWYPEJ-UHFFFAOYSA-N	0	1	391.457	0.539	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001080475509	1201275765	/nfs/dbraw/zinc/27/57/65/1201275765.db2.gz	PRBZOJUAXQLCDD-TUVASFSCSA-N	0	1	378.473	0.344	20	30		GCEDMN
COC(=O)CCCN1CCC(=NNC(=S)NCCCN2CCOCC2)CC1	ZINC000727059670	1201332477	/nfs/dbraw/zinc/33/24/77/1201332477.db2.gz	TXQNLEWBKBMHNZ-UHFFFAOYSA-N	0	1	399.561	0.578	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CCOC)C2)cc1	ZINC000729980951	1201422338	/nfs/dbraw/zinc/42/23/38/1201422338.db2.gz	SNBRMARCDCBQEO-MRXNPFEDSA-N	0	1	379.482	0.439	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(CC(=O)N3CCOCC3)[C@H]2C1	ZINC001085037416	1201556604	/nfs/dbraw/zinc/55/66/04/1201556604.db2.gz	FTYSKKXSYVSJII-BDXSIMOUSA-N	0	1	377.485	0.359	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](c1nncn1C)C(C)C)c1ccn[nH]1	ZINC000804256893	1201610141	/nfs/dbraw/zinc/61/01/41/1201610141.db2.gz	RVYBVVQZUHKRFX-ZDUSSCGKSA-N	0	1	377.405	0.336	20	30		GCEDMN
N#Cc1ccc(NCCNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)nc1	ZINC000734658078	1201658210	/nfs/dbraw/zinc/65/82/10/1201658210.db2.gz	OUCMPLRBSJLNMB-QGZVFWFLSA-N	0	1	387.488	0.071	20	30		GCEDMN
Cn1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O	ZINC000735031280	1201672817	/nfs/dbraw/zinc/67/28/17/1201672817.db2.gz	INEHHEPFYUPRJX-UHFFFAOYSA-N	0	1	381.436	0.304	20	30		GCEDMN
C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000735116483	1201679395	/nfs/dbraw/zinc/67/93/95/1201679395.db2.gz	NFHLWHOGVXVTEF-RKQLKTQESA-N	0	1	396.407	0.324	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000735939470	1201705867	/nfs/dbraw/zinc/70/58/67/1201705867.db2.gz	GHITTWAXAVSQTP-KRWDZBQOSA-N	0	1	398.525	0.691	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)CC1	ZINC000735940564	1201706498	/nfs/dbraw/zinc/70/64/98/1201706498.db2.gz	RXUBUKYHVAQXCL-UHFFFAOYSA-N	0	1	379.457	0.612	20	30		GCEDMN
CCC[C@H](NC(=O)CCN=C1NS(=O)(=O)c2ccccc21)c1nn[nH]n1	ZINC000736429846	1201714205	/nfs/dbraw/zinc/71/42/05/1201714205.db2.gz	FGFPWRNQBNLPBA-NSHDSACASA-N	0	1	377.430	0.286	20	30		GCEDMN
CCOC(=O)C1=C(CN(CC#N)CC(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000746455577	1201923977	/nfs/dbraw/zinc/92/39/77/1201923977.db2.gz	SNFWEOJJSRYHDH-KRWDZBQOSA-N	0	1	386.408	0.856	20	30		GCEDMN
CCOC(=O)[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CO1	ZINC001169368824	1201944189	/nfs/dbraw/zinc/94/41/89/1201944189.db2.gz	UIBUUUWXVNAPHH-SRVKXCTJSA-N	0	1	386.407	0.113	20	30		GCEDMN
Cc1cccc2c1[C@@H](C)CC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000766717035	1201948047	/nfs/dbraw/zinc/94/80/47/1201948047.db2.gz	UVDAGGCKONXDKO-NSHDSACASA-N	0	1	376.438	0.582	20	30		GCEDMN
CCC[C@@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000766793449	1201955207	/nfs/dbraw/zinc/95/52/07/1201955207.db2.gz	LUUURTKXGKIOOL-ZDBRSUKYSA-N	0	1	393.488	0.655	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O	ZINC001109204164	1202004507	/nfs/dbraw/zinc/00/45/07/1202004507.db2.gz	FTEGXGTUILNPHR-UMCXVIDHSA-N	0	1	378.473	0.365	20	30		GCEDMN
C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O	ZINC001109342939	1202022580	/nfs/dbraw/zinc/02/25/80/1202022580.db2.gz	AXOKGDKJSVGQOT-WCVJEAGWSA-N	0	1	377.485	0.820	20	30		GCEDMN
C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O)OCC	ZINC001109361329	1202024810	/nfs/dbraw/zinc/02/48/10/1202024810.db2.gz	SPAAFEYAAFBVIO-FXUDXRNXSA-N	0	1	378.473	0.631	20	30		GCEDMN
CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1	ZINC001109363663	1202030182	/nfs/dbraw/zinc/03/01/82/1202030182.db2.gz	ZHCCJQCSUCUIDJ-IKGGRYGDSA-N	0	1	376.482	0.719	20	30		GCEDMN
COC(=O)C[C@@]1(NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCCOC1	ZINC000770694873	1202109081	/nfs/dbraw/zinc/10/90/81/1202109081.db2.gz	ALJYTVKORCBFDS-LPHOPBHVSA-N	0	1	380.489	0.381	20	30		GCEDMN
Cn1ccnc1C(=O)C(C#N)=C(O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	ZINC000770872124	1202116780	/nfs/dbraw/zinc/11/67/80/1202116780.db2.gz	SDSVUPNGPRATNO-TZMCWYRMSA-N	0	1	382.355	0.571	20	30		GCEDMN
COc1ccc(C)cc1C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771889587	1202166301	/nfs/dbraw/zinc/16/63/01/1202166301.db2.gz	KFSWNDWJQOWHPA-UHFFFAOYSA-N	0	1	380.426	0.104	20	30		GCEDMN
C[C@@H]1CCc2c(F)cccc2C1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771888696	1202166600	/nfs/dbraw/zinc/16/66/00/1202166600.db2.gz	FOOHKCHGRSAUEU-SNVBAGLBSA-N	0	1	394.428	0.488	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@@H]2Cc2ccccc2)c(=O)n(C)c1=O	ZINC000771888228	1202166689	/nfs/dbraw/zinc/16/66/89/1202166689.db2.gz	AIZUCDQYVTVECC-CQSZACIVSA-N	0	1	390.465	0.761	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(CC(C)C)cc1	ZINC000771896579	1202168271	/nfs/dbraw/zinc/16/82/71/1202168271.db2.gz	CYHQAUZMGCTRKH-UHFFFAOYSA-N	0	1	392.481	0.985	20	30		GCEDMN
CC(CCc1ccc(F)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771893336	1202168584	/nfs/dbraw/zinc/16/85/84/1202168584.db2.gz	ZRGRHEFGRJRCOE-UHFFFAOYSA-N	0	1	382.417	0.510	20	30		GCEDMN
CCN(CC)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771897307	1202168888	/nfs/dbraw/zinc/16/88/88/1202168888.db2.gz	CUXCHNKBFBRREX-UHFFFAOYSA-N	0	1	393.469	0.243	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(F)c3cccnc23)c(=O)n(C)c1=O	ZINC000771897365	1202169098	/nfs/dbraw/zinc/16/90/98/1202169098.db2.gz	LYZGOJWSBCPAJB-UHFFFAOYSA-N	0	1	391.384	0.084	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1	ZINC000772122031	1202174834	/nfs/dbraw/zinc/17/48/34/1202174834.db2.gz	PJTSHZHJVJRLKK-OAHLLOKOSA-N	0	1	379.457	0.564	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2oc(=O)n(C)c2c1)c1ccn[nH]1	ZINC000772179531	1202175390	/nfs/dbraw/zinc/17/53/90/1202175390.db2.gz	UPFPDZSJDAEPHR-UHFFFAOYSA-N	0	1	387.352	0.777	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccn[nH]1	ZINC000772152178	1202175694	/nfs/dbraw/zinc/17/56/94/1202175694.db2.gz	QSCWGPSJCIBRAJ-CYBMUJFWSA-N	0	1	399.407	0.615	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(CNC(N)=O)cc1)c1ccn[nH]1	ZINC000772151171	1202175835	/nfs/dbraw/zinc/17/58/35/1202175835.db2.gz	GQNSWWUTHOCSJD-UHFFFAOYSA-N	0	1	388.384	0.501	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-n2ccnn2)cc1)c1ccn[nH]1	ZINC000772196595	1202176792	/nfs/dbraw/zinc/17/67/92/1202176792.db2.gz	BOUCWXQISSLAHB-UHFFFAOYSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)NC(=O)CO2)c1ccn[nH]1	ZINC000789943976	1205452729	/nfs/dbraw/zinc/45/27/29/1205452729.db2.gz	KYTKERRQIZGIJA-UHFFFAOYSA-N	0	1	387.352	0.663	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccn[nH]1	ZINC000789952585	1205453113	/nfs/dbraw/zinc/45/31/13/1205453113.db2.gz	FIDYZGOJJMOZKW-CYBMUJFWSA-N	0	1	387.396	0.988	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCS[C@@H]2COCC[C@@H]21)c1cc[nH]n1	ZINC000789994791	1205453977	/nfs/dbraw/zinc/45/39/77/1205453977.db2.gz	COMQKCBDHOSWHB-QWHCGFSZSA-N	0	1	382.442	0.426	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCS[C@H]2COCC[C@@H]21)c1cc[nH]n1	ZINC000789994792	1205454009	/nfs/dbraw/zinc/45/40/09/1205454009.db2.gz	COMQKCBDHOSWHB-STQMWFEESA-N	0	1	382.442	0.426	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCS[C@H]2COCC[C@H]21)c1cc[nH]n1	ZINC000789994790	1205454054	/nfs/dbraw/zinc/45/40/54/1205454054.db2.gz	COMQKCBDHOSWHB-OLZOCXBDSA-N	0	1	382.442	0.426	20	30		GCEDMN
C[C@H]1CN(c2nccnc2C#N)CCN1CN1C[C@@]2(CN3CCC2CC3)OC1=O	ZINC000790366241	1205463238	/nfs/dbraw/zinc/46/32/38/1205463238.db2.gz	HOADVYZVTYFAOC-MGPUTAFESA-N	0	1	397.483	0.733	20	30		GCEDMN
N#Cc1ccnc(N2CCN(CN3C[C@@]4(CN5CCC4CC5)OC3=O)CC2)c1	ZINC000790367543	1205463337	/nfs/dbraw/zinc/46/33/37/1205463337.db2.gz	JQONCLCZLHITPG-HXUWFJFHSA-N	0	1	382.468	0.949	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc2cnn(C)c2c1)c1ccn[nH]1	ZINC000794353842	1205513670	/nfs/dbraw/zinc/51/36/70/1205513670.db2.gz	IHPSBATTXQMHIW-UHFFFAOYSA-N	0	1	384.396	0.897	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1[C@@H]1CCCO1)c1cc[nH]n1	ZINC000804393109	1205514834	/nfs/dbraw/zinc/51/48/34/1205514834.db2.gz	GMFMWJIKWDENBW-KBPBESRZSA-N	0	1	380.401	0.100	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n[nH]1	ZINC000804401392	1205515064	/nfs/dbraw/zinc/51/50/64/1205515064.db2.gz	JVNSBGZGTJQVKI-UHFFFAOYSA-N	0	1	381.440	0.640	20	30		GCEDMN
COCC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001130406061	1205545437	/nfs/dbraw/zinc/54/54/37/1205545437.db2.gz	VYGKCBCWWPHGCK-WRVSEMMVSA-N	0	1	384.480	0.888	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)N(C)C)C1	ZINC001130596881	1205555045	/nfs/dbraw/zinc/55/50/45/1205555045.db2.gz	VFUSPVKGMNBOCE-ATLSCFEFSA-N	0	1	389.500	0.374	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130630075	1205557049	/nfs/dbraw/zinc/55/70/49/1205557049.db2.gz	DPUFAXPFJCYIMA-LSTDLKDCSA-N	0	1	383.496	0.490	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1c1cn(C)cn1	ZINC001130630620	1205557222	/nfs/dbraw/zinc/55/72/22/1205557222.db2.gz	RGGJRBJYSINJNI-ATLSCFEFSA-N	0	1	389.500	0.421	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NC2CC2)C1	ZINC001130680525	1205559597	/nfs/dbraw/zinc/55/95/97/1205559597.db2.gz	VFOSKNDZHDCUSD-ATLSCFEFSA-N	0	1	387.484	0.174	20	30		GCEDMN
Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@H]1NCC(=O)NCC#N	ZINC001131028980	1205588901	/nfs/dbraw/zinc/58/89/01/1205588901.db2.gz	UPARSCHCLWKPHL-KLHDSHLOSA-N	0	1	386.500	0.626	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C	ZINC001131031808	1205588988	/nfs/dbraw/zinc/58/89/88/1205588988.db2.gz	YAVGPNRHJOXHCX-WRMBXCAGSA-N	0	1	386.496	0.769	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCO1	ZINC000807855377	1205591468	/nfs/dbraw/zinc/59/14/68/1205591468.db2.gz	ISUINDZASBVSAD-QZTJIDSGSA-N	0	1	391.512	0.682	20	30		GCEDMN
COc1ccc(NN=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)c([N+](=O)[O-])c1	ZINC000807978589	1205595514	/nfs/dbraw/zinc/59/55/14/1205595514.db2.gz	XLIPOGLQGOIOJR-UHFFFAOYSA-N	0	1	376.373	0.513	20	30		GCEDMN
CCOC(=O)C1=C(Cn2cncc(C#N)c2=O)NC(=O)N[C@H]1c1ccccc1	ZINC000809969994	1205632019	/nfs/dbraw/zinc/63/20/19/1205632019.db2.gz	KBCRZQUSTHNERC-INIZCTEOSA-N	0	1	379.376	0.986	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nccc2ccccc21	ZINC000811645576	1205654053	/nfs/dbraw/zinc/65/40/53/1205654053.db2.gz	RXLNMSOTQHWHDK-UHFFFAOYSA-N	0	1	387.421	0.335	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1	ZINC000747818629	1205668367	/nfs/dbraw/zinc/66/83/67/1205668367.db2.gz	XKVXJTOFDNAYRZ-DOTOQJQBSA-N	0	1	377.485	0.638	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000747818405	1205668427	/nfs/dbraw/zinc/66/84/27/1205668427.db2.gz	PUVQDOXXFDXAMZ-NVXWUHKLSA-N	0	1	385.464	0.793	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)NCc2ccc(OCCOC)cc2)CC1	ZINC000747816817	1205668496	/nfs/dbraw/zinc/66/84/96/1205668496.db2.gz	XYDCBGHDWQWFDZ-UHFFFAOYSA-N	0	1	387.480	0.789	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1	ZINC000747818655	1205668672	/nfs/dbraw/zinc/66/86/72/1205668672.db2.gz	YROVIBPWNPZTMV-UHFFFAOYSA-N	0	1	382.508	0.792	20	30		GCEDMN
C#CCNC(=O)C1CCN(Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)CC1	ZINC000747816420	1205668683	/nfs/dbraw/zinc/66/86/83/1205668683.db2.gz	CTAVHOAIIYWRLN-UHFFFAOYSA-N	0	1	385.424	0.573	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000747823530	1205669543	/nfs/dbraw/zinc/66/95/43/1205669543.db2.gz	QTWICBFERPAJTK-UHFFFAOYSA-N	0	1	387.480	0.824	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC[C@@H](Cc3ccccc3)C2)c(=O)n(C)c1=O	ZINC000814883500	1205696490	/nfs/dbraw/zinc/69/64/90/1205696490.db2.gz	PTEXPKPSSLJCOY-AWEZNQCLSA-N	0	1	390.465	0.761	20	30		GCEDMN
COC(=O)CCN(CC#N)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1	ZINC001171919674	1205710566	/nfs/dbraw/zinc/71/05/66/1205710566.db2.gz	FMWJDGAXTZTFAA-INIZCTEOSA-N	0	1	389.456	0.933	20	30		GCEDMN
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1	ZINC001171943411	1205710697	/nfs/dbraw/zinc/71/06/97/1205710697.db2.gz	RWHSNDUPXLVCQT-USXIJHARSA-N	0	1	385.468	0.457	20	30		GCEDMN
C[C@H]1[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C(=O)N1S(=O)(=O)[O-]	ZINC001172968085	1205718252	/nfs/dbraw/zinc/71/82/52/1205718252.db2.gz	IIRUMSHOVSGTOY-USZNOCQGSA-N	0	1	388.446	0.270	20	30		GCEDMN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)Cc2cnc[nH]2)ccc1F	ZINC001174941014	1205733276	/nfs/dbraw/zinc/73/32/76/1205733276.db2.gz	LNOFCWWFGQXMMA-ZDUSSCGKSA-N	0	1	382.417	0.347	20	30		GCEDMN
CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1nc[nH]c1C#N)Cn1ccnc12	ZINC001176766282	1205754321	/nfs/dbraw/zinc/75/43/21/1205754321.db2.gz	UAQWWXYJDRHNQO-ZDUSSCGKSA-N	0	1	398.427	0.488	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@H]2C[C@]21C(=O)OCC)c1cc[nH]n1	ZINC001177258383	1205764019	/nfs/dbraw/zinc/76/40/19/1205764019.db2.gz	HYJOGALJMLXIRF-QSSADYLRSA-N	0	1	378.385	0.248	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)OC)nc1)c1ccn[nH]1	ZINC001177254504	1205764922	/nfs/dbraw/zinc/76/49/22/1205764922.db2.gz	QFQVVBPHOIFBIK-STZFKDTASA-N	0	1	375.341	0.514	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC(c2ncccn2)CC1)c1cc[nH]n1	ZINC001177258168	1205765025	/nfs/dbraw/zinc/76/50/25/1205765025.db2.gz	AZFBKAURHCQSHX-KQWNVCNZSA-N	0	1	386.412	0.890	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1C(=O)Nc2ccc(C)cc21)c1ccn[nH]1	ZINC001177263453	1205765579	/nfs/dbraw/zinc/76/55/79/1205765579.db2.gz	XNJJSSDPUHCTBR-PUAIJGIWSA-N	0	1	385.380	0.812	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccn[nH]1	ZINC001177263760	1205765583	/nfs/dbraw/zinc/76/55/83/1205765583.db2.gz	CYLXAODRRCVVQS-ACNSNUFOSA-N	0	1	388.424	0.661	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cnc2cc(C)ccn12)c1ccn[nH]1	ZINC001177263250	1205765622	/nfs/dbraw/zinc/76/56/22/1205765622.db2.gz	SHIALEZTJOQYIC-QJOMJCCJSA-N	0	1	384.396	0.966	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@](C)(C(=O)OC)C1)c1cc[nH]n1	ZINC001177262878	1205765647	/nfs/dbraw/zinc/76/56/47/1205765647.db2.gz	HLAQQQOZYYNDEG-PNWWAVQQSA-N	0	1	380.401	0.495	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1C(=O)NCc2ccccc21)c1ccn[nH]1	ZINC001177264135	1205765930	/nfs/dbraw/zinc/76/59/30/1205765930.db2.gz	TVECJRGXLAEYIL-XKBVJOOISA-N	0	1	385.380	0.181	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(OC)c(OC)n1)c1ccn[nH]1	ZINC001177265804	1205765940	/nfs/dbraw/zinc/76/59/40/1205765940.db2.gz	AOQYPZFEMUERCJ-JCMHNJIXSA-N	0	1	391.384	0.422	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC(=N)c1cccnc1Cl)c1ccn[nH]1	ZINC001177263845	1205765945	/nfs/dbraw/zinc/76/59/45/1205765945.db2.gz	HIMQKDSCQORAGF-UUYOSTAYSA-N	0	1	378.776	0.884	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C(=O)N(C)C)[C@@H](C)CC)c1ccn[nH]1	ZINC001177266883	1205766200	/nfs/dbraw/zinc/76/62/00/1205766200.db2.gz	PQAQIYYMWLANEH-VWDQHEDQSA-N	0	1	381.433	0.313	20	30		GCEDMN
C=CCn1nc(C)c(-c2cc(C(=O)N(C)N3CCS(=O)(=O)CC3)n[nH]2)c1C	ZINC001177904714	1205779375	/nfs/dbraw/zinc/77/93/75/1205779375.db2.gz	RUXCCXAKDVZHQA-UHFFFAOYSA-N	0	1	392.485	0.793	20	30		GCEDMN
N#C[C@@]12CN(C(=O)C3CCN([C@H]4CCSC4)CC3)C[C@H]1CS(=O)(=O)C2	ZINC001178756993	1205793992	/nfs/dbraw/zinc/79/39/92/1205793992.db2.gz	IMIOQDPNSIPSOV-ZOBUZTSGSA-N	0	1	383.539	0.601	20	30		GCEDMN
Cc1ccc(C(=O)N[C@H](C)C2=NN(C)CC2=O)cc1S(=O)(=O)NCC#N	ZINC001179921073	1205815964	/nfs/dbraw/zinc/81/59/64/1205815964.db2.gz	NCTVXQXTYYAGCH-LLVKDONJSA-N	0	1	377.426	0.727	20	30		GCEDMN
CC(C)N1CCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1	ZINC001180347329	1205822163	/nfs/dbraw/zinc/82/21/63/1205822163.db2.gz	PXZWOWYCCCECCJ-MRXNPFEDSA-N	0	1	379.505	0.984	20	30		GCEDMN
N#Cc1cc(CC(=O)N2Cc3n[nH]c(C(=O)N4CCOCC4)c3C2)ccc1F	ZINC001181182717	1205840183	/nfs/dbraw/zinc/84/01/83/1205840183.db2.gz	QLONKIZUTSPCSJ-UHFFFAOYSA-N	0	1	383.383	0.978	20	30		GCEDMN
CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc[nH]c1C#N	ZINC001182104480	1205857526	/nfs/dbraw/zinc/85/75/26/1205857526.db2.gz	YBNKHYQDRUJXQY-NSHDSACASA-N	0	1	382.446	0.940	20	30		GCEDMN
CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N(C)C)C1	ZINC001182977400	1205885095	/nfs/dbraw/zinc/88/50/95/1205885095.db2.gz	SUWIPBPCUUHVRZ-IKGGRYGDSA-N	0	1	396.532	0.219	20	30		GCEDMN
CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1OC1=C(O)n1cc(N)c(N)n1	ZINC001182980563	1205885250	/nfs/dbraw/zinc/88/52/50/1205885250.db2.gz	HPXYIBXNZASXJS-RDBSUJKOSA-N	0	1	394.476	0.148	20	30		GCEDMN
COC(=O)[C@H](CS)NC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O	ZINC001183425990	1205892326	/nfs/dbraw/zinc/89/23/26/1205892326.db2.gz	LUQGVGJXVHRWAV-JTQLQIEISA-N	0	1	397.840	0.911	20	30		GCEDMN
CN(C)[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)c1ccccc1	ZINC000774766235	1205912330	/nfs/dbraw/zinc/91/23/30/1205912330.db2.gz	FONNGZKLRATFPD-QGZVFWFLSA-N	0	1	380.452	0.900	20	30		GCEDMN
C#CCCN1CCC[C@@H](NS(=O)(=O)c2nc(C)c(C(=O)OCC)s2)C1=O	ZINC001184986480	1205915661	/nfs/dbraw/zinc/91/56/61/1205915661.db2.gz	INCGTJURMANNBV-GFCCVEGCSA-N	0	1	399.494	0.921	20	30		GCEDMN
COc1cc(C#N)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1	ZINC001164874285	721275489	/nfs/dbraw/zinc/27/54/89/721275489.db2.gz	PDKQQXMICMYHFJ-UHFFFAOYSA-N	0	1	387.484	0.969	20	30		GCEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(C#N)c(C#N)n4)C3)O2)CC1	ZINC001164895393	721438613	/nfs/dbraw/zinc/43/86/13/721438613.db2.gz	OILBISXCBIQLHL-OXJNMPFZSA-N	0	1	381.484	0.985	20	30		GCEDMN
CNS(=O)(=O)c1cccc([C@@H](C)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)c1	ZINC001571257824	945345776	/nfs/dbraw/zinc/34/57/76/945345776.db2.gz	JYRULJQGFDJMLS-SECBINFHSA-N	0	1	385.413	0.610	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001571296141	946188176	/nfs/dbraw/zinc/18/81/76/946188176.db2.gz	OZOUSLZKFAAWAY-JSGCOSHPSA-N	0	1	390.411	0.597	20	30		GCEDMN
C#CCN(C(=O)c1cnon1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1	ZINC001573282889	946702241	/nfs/dbraw/zinc/70/22/41/946702241.db2.gz	NLYRECLMQDRSQS-UHFFFAOYSA-N	0	1	379.384	0.389	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573287100	946827245	/nfs/dbraw/zinc/82/72/45/946827245.db2.gz	FAKJPDVDGCYEOD-WFASDCNBSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#CCOCCC(=O)N[C@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001573287430	946836018	/nfs/dbraw/zinc/83/60/18/946836018.db2.gz	NKMTYZMTCWTVJP-HOCLYGCPSA-N	0	1	383.456	0.810	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)cn1	ZINC001573287773	946845844	/nfs/dbraw/zinc/84/58/44/946845844.db2.gz	KWEQJGHZUAKPHW-WFASDCNBSA-N	0	1	389.423	0.820	20	30		GCEDMN
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1	ZINC001573287741	946847479	/nfs/dbraw/zinc/84/74/79/946847479.db2.gz	KTDJBJOSOXTISU-BXUZGUMPSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573287881	946850475	/nfs/dbraw/zinc/85/04/75/946850475.db2.gz	LTLRWJSMXBDKMP-WFASDCNBSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573287901	946850577	/nfs/dbraw/zinc/85/05/77/946850577.db2.gz	QDRACUMPUMWHGT-GASCZTMLSA-N	0	1	381.440	0.790	20	30		GCEDMN
C#CCOCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1	ZINC001573288337	946863351	/nfs/dbraw/zinc/86/33/51/946863351.db2.gz	UNCPQGLHNJJGLW-KBPBESRZSA-N	0	1	384.444	0.015	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1	ZINC001573289264	946882443	/nfs/dbraw/zinc/88/24/43/946882443.db2.gz	XRWABVDRSNDWBE-OAHLLOKOSA-N	0	1	390.407	0.013	20	30		GCEDMN
C#Cc1cncc(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1	ZINC001573291376	946916615	/nfs/dbraw/zinc/91/66/15/946916615.db2.gz	BJZHPEFQFCTLFO-HNNXBMFYSA-N	0	1	388.435	0.943	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573291336	946918333	/nfs/dbraw/zinc/91/83/33/946918333.db2.gz	ZNJAPKSWBXXPHL-RISCZKNCSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573292346	946934468	/nfs/dbraw/zinc/93/44/68/946934468.db2.gz	UJIKQOPUDLBPDP-UKRRQHHQSA-N	0	1	389.423	0.466	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573565546	947010764	/nfs/dbraw/zinc/01/07/64/947010764.db2.gz	RTKVBHDMINXGQB-NSHDSACASA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573565546	947010773	/nfs/dbraw/zinc/01/07/73/947010773.db2.gz	RTKVBHDMINXGQB-NSHDSACASA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566579	947026871	/nfs/dbraw/zinc/02/68/71/947026871.db2.gz	DIHZLSCUUMUOEJ-BZNIZROVSA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573566579	947026885	/nfs/dbraw/zinc/02/68/85/947026885.db2.gz	DIHZLSCUUMUOEJ-BZNIZROVSA-N	0	1	375.458	0.531	20	30		GCEDMN
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573300941	947125884	/nfs/dbraw/zinc/12/58/84/947125884.db2.gz	WTAPQTUBIHWNPP-BLLLJJGKSA-N	0	1	386.460	0.380	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21	ZINC001573577134	947161873	/nfs/dbraw/zinc/16/18/73/947161873.db2.gz	MPXKUWDIAVVNEZ-BGZDPUMWSA-N	0	1	378.849	0.935	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1OC	ZINC001573309255	947193991	/nfs/dbraw/zinc/19/39/91/947193991.db2.gz	FXEQLFJMFRNSJE-GPMSIDNRSA-N	0	1	386.456	0.509	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573309735	947209033	/nfs/dbraw/zinc/20/90/33/947209033.db2.gz	NVLQVXAMQQLJHE-MSOLQXFVSA-N	0	1	384.444	0.413	20	30		GCEDMN
C=CCn1cc(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)nn1	ZINC001573351598	947616951	/nfs/dbraw/zinc/61/69/51/947616951.db2.gz	TXWVLQZBRVKDJN-GFCCVEGCSA-N	0	1	382.432	0.602	20	30		GCEDMN
CC#CCCCC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573358625	947665563	/nfs/dbraw/zinc/66/55/63/947665563.db2.gz	GFRPWHDJTZNDRR-SFHVURJKSA-N	0	1	384.444	0.038	20	30		GCEDMN
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000328302534	971460215	/nfs/dbraw/zinc/46/02/15/971460215.db2.gz	UVAUYFBMNWFKPD-UHFFFAOYSA-N	0	1	379.232	0.974	20	30		GCEDMN
C[C@]1(C#N)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1	ZINC001575525928	949358133	/nfs/dbraw/zinc/35/81/33/949358133.db2.gz	SZGOKRUEDBASIA-ZDUSSCGKSA-N	0	1	379.358	0.078	20	30		GCEDMN
C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576169082	949662372	/nfs/dbraw/zinc/66/23/72/949662372.db2.gz	DYFFNLUKNWOUPI-RISCZKNCSA-N	0	1	392.427	0.631	20	30		GCEDMN
C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575892088	950048913	/nfs/dbraw/zinc/04/89/13/950048913.db2.gz	RHHSQRDIHDNLLF-ZYHUDNBSSA-N	0	1	378.400	0.644	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC(CCO)(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573852871	950310178	/nfs/dbraw/zinc/31/01/78/950310178.db2.gz	KGVAOKPLHDKJFG-UHFFFAOYSA-N	0	1	387.404	0.312	20	30		GCEDMN
C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1	ZINC001575142757	952148244	/nfs/dbraw/zinc/14/82/44/952148244.db2.gz	LJAROFPYIWBBFM-QGZVFWFLSA-N	0	1	378.400	0.289	20	30		GCEDMN
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001571124582	952540822	/nfs/dbraw/zinc/54/08/22/952540822.db2.gz	NQXZLGWYOCYQQP-YPMHNXCESA-N	0	1	377.412	0.704	20	30		GCEDMN
N#C[C@@]12CN(c3c4ccccc4nnc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2	ZINC001571200311	953009083	/nfs/dbraw/zinc/00/90/83/953009083.db2.gz	HLVBCPCLOWXYBU-QFYYESIMSA-N	0	1	382.409	0.184	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]2C(=O)[O-]	ZINC001593823896	955069616	/nfs/dbraw/zinc/06/96/16/955069616.db2.gz	GWLPQBTVKHVSMB-LFDOHDQPSA-N	0	1	385.420	0.760	20	30		GCEDMN
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001594600904	956127936	/nfs/dbraw/zinc/12/79/36/956127936.db2.gz	COPTUWACTBEDLW-LPHOPBHVSA-N	0	1	390.415	0.368	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C)[C@H]3C(=O)[O-])CC2)o1	ZINC001594445160	959322264	/nfs/dbraw/zinc/32/22/64/959322264.db2.gz	PCVKHYHSSLXEKD-WBMJQRKESA-N	0	1	375.429	0.688	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)[C@H]3C(=O)[O-])CC2)o1	ZINC001594445160	959322283	/nfs/dbraw/zinc/32/22/83/959322283.db2.gz	PCVKHYHSSLXEKD-WBMJQRKESA-N	0	1	375.429	0.688	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3CC(=O)[O-])CC2)o1	ZINC001574418047	961335630	/nfs/dbraw/zinc/33/56/30/961335630.db2.gz	IHFAGYCOIUNREH-AWEZNQCLSA-N	0	1	375.429	0.833	20	30		GCEDMN
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)ccc1F	ZINC001588847494	984364531	/nfs/dbraw/zinc/36/45/31/984364531.db2.gz	ASBPUVXZXZAGJA-ZDUSSCGKSA-N	0	1	399.444	0.378	20	30		GCEDMN
C=CCOC[C@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)C(=O)[O-]	ZINC001588859969	984409712	/nfs/dbraw/zinc/40/97/12/984409712.db2.gz	DDPVQFRUSJFGSB-INIZCTEOSA-N	0	1	399.451	0.949	20	30		GCEDMN
CN(CCC#N)c1ccc(C[N@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])cc1	ZINC001598468516	991988477	/nfs/dbraw/zinc/98/84/77/991988477.db2.gz	FVBNPRYNWKZENZ-HOTGVXAUSA-N	0	1	385.424	0.616	20	30		GCEDMN
C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)[O-])C2)C1	ZINC001598586535	993392071	/nfs/dbraw/zinc/39/20/71/993392071.db2.gz	RVIJPPBOPDDFAN-JXFKEZNVSA-N	0	1	396.451	0.794	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H](C(=O)[O-])C1	ZINC001598607328	993689125	/nfs/dbraw/zinc/68/91/25/993689125.db2.gz	PBZXXMJCWGBRST-MGPQQGTHSA-N	0	1	395.460	0.403	20	30		GCEDMN
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774874	995919531	/nfs/dbraw/zinc/91/95/31/995919531.db2.gz	GJQUNUWQBXDZTA-STQMWFEESA-N	0	1	381.410	0.065	20	30		GCEDMN
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774874	995919535	/nfs/dbraw/zinc/91/95/35/995919535.db2.gz	GJQUNUWQBXDZTA-STQMWFEESA-N	0	1	381.410	0.065	20	30		GCEDMN
CCN(CCO)CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000557836706	530117829	/nfs/dbraw/zinc/11/78/29/530117829.db2.gz	XRQRHUBABUAERM-UHFFFAOYSA-N	0	1	376.276	0.913	20	30		GCEDMN
CN(CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C1CC1	ZINC000516663348	530361157	/nfs/dbraw/zinc/36/11/57/530361157.db2.gz	LZPQGANTUHFMMO-UHFFFAOYSA-N	0	1	386.499	0.203	20	30		GCEDMN
CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000570941063	530331856	/nfs/dbraw/zinc/33/18/56/530331856.db2.gz	CWONVSYLKIIPAK-UHFFFAOYSA-N	0	1	375.476	0.104	20	30		GCEDMN
CC[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1	ZINC000594629582	530433344	/nfs/dbraw/zinc/43/33/44/530433344.db2.gz	DWKCYAKQXIWGGI-CYBMUJFWSA-N	0	1	388.515	0.449	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1	ZINC000328681876	530517521	/nfs/dbraw/zinc/51/75/21/530517521.db2.gz	OKQUUOWJSNMWQC-LSDHHAIUSA-N	0	1	376.523	0.271	20	30		GCEDMN
CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(CC(C)(C)O)CC2)s1	ZINC000330960595	530534199	/nfs/dbraw/zinc/53/41/99/530534199.db2.gz	BFMOQKMQPSMAEI-UHFFFAOYSA-N	0	1	390.531	0.459	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(C)C)cc1	ZINC000573103875	530574953	/nfs/dbraw/zinc/57/49/53/530574953.db2.gz	FRIDLYJMPBTXIQ-OLZOCXBDSA-N	0	1	388.515	0.448	20	30		GCEDMN
CCc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)c1C	ZINC000349477455	530647551	/nfs/dbraw/zinc/64/75/51/530647551.db2.gz	QKKODUGXKLMDAN-UHFFFAOYSA-N	0	1	389.503	0.588	20	30		GCEDMN
CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349494095	530656301	/nfs/dbraw/zinc/65/63/01/530656301.db2.gz	NLALRKGROWAZLZ-ZDUSSCGKSA-N	0	1	389.503	0.350	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000440105052	530683090	/nfs/dbraw/zinc/68/30/90/530683090.db2.gz	QMELMKVUOYPXGQ-OLZOCXBDSA-N	0	1	393.437	0.975	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)c1C	ZINC000349528805	530674320	/nfs/dbraw/zinc/67/43/20/530674320.db2.gz	YLOJYVSSYWWGSF-JTQLQIEISA-N	0	1	377.492	0.722	20	30		GCEDMN
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n[nH]c1=O	ZINC000470822867	530697163	/nfs/dbraw/zinc/69/71/63/530697163.db2.gz	SWBZRLBRAZEORT-SECBINFHSA-N	0	1	383.455	0.936	20	30		GCEDMN
C=CCn1c(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n[nH]c1=O	ZINC000470835988	530697190	/nfs/dbraw/zinc/69/71/90/530697190.db2.gz	JVZJOGXVKXPDFO-UHFFFAOYSA-N	0	1	383.455	0.856	20	30		GCEDMN
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1=O	ZINC000470836930	530697374	/nfs/dbraw/zinc/69/73/74/530697374.db2.gz	RJJZEOGCIDXDGE-VIFPVBQESA-N	0	1	383.455	0.936	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000510754629	530819029	/nfs/dbraw/zinc/81/90/29/530819029.db2.gz	VQXXFDGRSBTLPZ-HOTGVXAUSA-N	0	1	385.511	0.782	20	30		GCEDMN
CCN(CCO)CCNS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416463272	530846995	/nfs/dbraw/zinc/84/69/95/530846995.db2.gz	BLXIZVXRMCRDPQ-UHFFFAOYSA-N	0	1	376.276	0.913	20	30		GCEDMN
CC(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n[nH]1	ZINC000349495347	530881407	/nfs/dbraw/zinc/88/14/07/530881407.db2.gz	FCCONVJNCBSWQW-UHFFFAOYSA-N	0	1	375.476	0.450	20	30		GCEDMN
C[C@](O)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)CN1CCOCC1	ZINC000443239212	530893199	/nfs/dbraw/zinc/89/31/99/530893199.db2.gz	HOQIOYHCFNBYNT-HNNXBMFYSA-N	0	1	375.397	0.198	20	30		GCEDMN
C[C@@](O)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)CN1CCOCC1	ZINC000443239214	530893637	/nfs/dbraw/zinc/89/36/37/530893637.db2.gz	HOQIOYHCFNBYNT-OAHLLOKOSA-N	0	1	375.397	0.198	20	30		GCEDMN
C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349624532	530913499	/nfs/dbraw/zinc/91/34/99/530913499.db2.gz	UKJSAVYWVAGTDR-NSHDSACASA-N	0	1	375.476	0.104	20	30		GCEDMN
CS(=O)(=O)N1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000467130574	530914498	/nfs/dbraw/zinc/91/44/98/530914498.db2.gz	HNPZEUGRDSJYFA-UHFFFAOYSA-N	0	1	379.410	0.539	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)c(F)c1	ZINC000467137664	530914740	/nfs/dbraw/zinc/91/47/40/530914740.db2.gz	GVYBGYMFHYUKNI-UHFFFAOYSA-N	0	1	387.389	0.962	20	30		GCEDMN
CCN(CCO)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000278659736	530916956	/nfs/dbraw/zinc/91/69/56/530916956.db2.gz	FHKPBUPNGQVDGT-UHFFFAOYSA-N	0	1	376.276	0.913	20	30		GCEDMN
C=CCN(CC=C)[C@@H](CNS(=O)(=O)CCNS(=O)(=O)CC)C(C)C	ZINC000275658441	531008460	/nfs/dbraw/zinc/00/84/60/531008460.db2.gz	MLHMSVNAVMSEST-HNNXBMFYSA-N	0	1	381.564	0.544	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000662166677	531018888	/nfs/dbraw/zinc/01/88/88/531018888.db2.gz	CTVBIWVSFHBLHM-CQSZACIVSA-N	0	1	387.889	0.309	20	30		GCEDMN
Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)n1	ZINC000424626684	531052206	/nfs/dbraw/zinc/05/22/06/531052206.db2.gz	UVPKKSUGDCCYGT-NWDGAFQWSA-N	0	1	375.476	0.164	20	30		GCEDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000565229389	531181317	/nfs/dbraw/zinc/18/13/17/531181317.db2.gz	MQBDFVFQQHGEIV-ZDUSSCGKSA-N	0	1	386.499	0.203	20	30		GCEDMN
C#CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000735375390	598839316	/nfs/dbraw/zinc/83/93/16/598839316.db2.gz	KKWWYPHNBPILIB-UHFFFAOYSA-N	0	1	382.384	0.970	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](CC(=O)[O-])C3)CC2)o1	ZINC000818985497	597077320	/nfs/dbraw/zinc/07/73/20/597077320.db2.gz	DXNCNHCYYFWJNM-CQSZACIVSA-N	0	1	375.429	0.690	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CCC[N@@H+]2CC(=O)[O-])cc1	ZINC000819706343	598068148	/nfs/dbraw/zinc/06/81/48/598068148.db2.gz	YAYAVXLHFDPCEN-CQSZACIVSA-N	0	1	380.422	0.304	20	30		GCEDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CC(=O)N[C@](C)(C#N)C(C)C	ZINC000826295072	607718384	/nfs/dbraw/zinc/71/83/84/607718384.db2.gz	PUUVZNLQFVOMIT-GOSISDBHSA-N	0	1	380.412	0.940	20	30		GCEDMN
C#CCC[NH+]1CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000833362368	605192157	/nfs/dbraw/zinc/19/21/57/605192157.db2.gz	OGFMWRKSQNGXJY-IBGZPJMESA-N	0	1	382.464	0.921	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)CC1	ZINC000833466462	605193262	/nfs/dbraw/zinc/19/32/62/605193262.db2.gz	GNIXXQQXDYKUNU-SJORKVTESA-N	0	1	379.505	0.160	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c1	ZINC000833364528	605253294	/nfs/dbraw/zinc/25/32/94/605253294.db2.gz	UHPDFVXZJZQQTH-CQSZACIVSA-N	0	1	393.465	0.219	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c1	ZINC000833375816	605255340	/nfs/dbraw/zinc/25/53/40/605255340.db2.gz	LRSRIVIHTJEZEA-AWEZNQCLSA-N	0	1	395.481	0.772	20	30		GCEDMN
C[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@H+]1CCC(=O)[O-]	ZINC000833620211	605276135	/nfs/dbraw/zinc/27/61/35/605276135.db2.gz	FKRKJLGFSVIRCJ-ZDUSSCGKSA-N	0	1	382.424	0.947	20	30		GCEDMN
C#CCN1CCN(C(=O)CN(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1	ZINC000819701670	606374875	/nfs/dbraw/zinc/37/48/75/606374875.db2.gz	KUFZAUAITHKWPX-UHFFFAOYSA-N	0	1	381.484	0.855	20	30		GCEDMN
N#Cc1ccccc1N1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1	ZINC000822842604	607208455	/nfs/dbraw/zinc/20/84/55/607208455.db2.gz	PTEICHVBMIOSOC-UHFFFAOYSA-N	0	1	378.400	0.069	20	30		GCEDMN
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000823877814	608035035	/nfs/dbraw/zinc/03/50/35/608035035.db2.gz	GJDJIAYZUSYKCW-LBPRGKRZSA-N	0	1	375.481	0.850	20	30		GCEDMN
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000823877814	608035036	/nfs/dbraw/zinc/03/50/36/608035036.db2.gz	GJDJIAYZUSYKCW-LBPRGKRZSA-N	0	1	375.481	0.850	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCC[C@](C)(C#N)C3)CC2)o1	ZINC000826323292	608126098	/nfs/dbraw/zinc/12/60/98/608126098.db2.gz	YPGGCSHWTLJZIW-GOSISDBHSA-N	0	1	399.459	0.437	20	30		GCEDMN
N#Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c[nH]1	ZINC000826383893	609195487	/nfs/dbraw/zinc/19/54/87/609195487.db2.gz	WKTHMVJTNRXYRH-UHFFFAOYSA-N	0	1	379.384	0.894	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2CC#N)c1-c1nnn[n-]1	ZINC000826077184	609267487	/nfs/dbraw/zinc/26/74/87/609267487.db2.gz	CUIPTAGYXWDGRX-UHFFFAOYSA-N	0	1	379.428	0.989	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2CC#N)c1-c1nn[n-]n1	ZINC000826077184	609267489	/nfs/dbraw/zinc/26/74/89/609267489.db2.gz	CUIPTAGYXWDGRX-UHFFFAOYSA-N	0	1	379.428	0.989	20	30		GCEDMN
CN1CCN(CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1	ZINC000907141038	639360034	/nfs/dbraw/zinc/36/00/34/639360034.db2.gz	GNBCSCUQWCGZLW-UHFFFAOYSA-N	0	1	387.303	0.846	20	30		GCEDMN
CSc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771897861	640835520	/nfs/dbraw/zinc/83/55/20/640835520.db2.gz	TUBQMIMMVOBDBT-UHFFFAOYSA-N	0	1	382.467	0.508	20	30		GCEDMN
CN(C)c1c(C=[NH+][N-]c2cc(Br)ncn2)c(=O)n(C)c(=O)n1C	ZINC000872436560	641469095	/nfs/dbraw/zinc/46/90/95/641469095.db2.gz	JAVJPRUBGIDSDA-UHFFFAOYSA-N	0	1	382.222	0.149	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CN(C)CCN2C)s1	ZINC000874458542	641526543	/nfs/dbraw/zinc/52/65/43/641526543.db2.gz	VTEFBEZVJUFUCT-ZDUSSCGKSA-N	0	1	386.543	0.117	20	30		GCEDMN
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000798486347	641587377	/nfs/dbraw/zinc/58/73/77/641587377.db2.gz	PXRYBBQUPZPPEC-GFCCVEGCSA-N	0	1	390.483	0.509	20	30		GCEDMN
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000798486348	641587483	/nfs/dbraw/zinc/58/74/83/641587483.db2.gz	PXRYBBQUPZPPEC-LBPRGKRZSA-N	0	1	390.483	0.509	20	30		GCEDMN
NS(=O)(=O)c1ccc(NN=Cc2ccc(S(N)(=O)=O)c(Cl)c2)nc1	ZINC000807962943	641677012	/nfs/dbraw/zinc/67/70/12/641677012.db2.gz	RSVCMEGRKMQKAE-UHFFFAOYSA-N	0	1	389.846	0.476	20	30		GCEDMN
N#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(Br)c1	ZINC000822801993	642017678	/nfs/dbraw/zinc/01/76/78/642017678.db2.gz	SWLKBSRXJDCRML-JTQLQIEISA-N	0	1	388.189	0.602	20	30		GCEDMN
N#Cc1c(Cl)nsc1N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](O)C1	ZINC001044748740	642075476	/nfs/dbraw/zinc/07/54/76/642075476.db2.gz	ISYSBMXRNYARSM-VNOQCFOKSA-N	0	1	378.845	0.861	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc2ncc(I)n2c1	ZINC000834480508	642212736	/nfs/dbraw/zinc/21/27/36/642212736.db2.gz	RCIZLQGZJIDKRG-ZJUUUORDSA-N	0	1	381.177	0.780	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O	ZINC000834515606	642214004	/nfs/dbraw/zinc/21/40/04/642214004.db2.gz	ACORUYMXQOPDTK-IINYFYTJSA-N	0	1	390.241	0.777	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F	ZINC000843461130	642370729	/nfs/dbraw/zinc/37/07/29/642370729.db2.gz	SFDHFGMGOHUZCC-MWLCHTKSSA-N	0	1	376.360	0.211	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(SC)n[nH]1	ZINC000848960513	642581587	/nfs/dbraw/zinc/58/15/87/642581587.db2.gz	GOLYXOOERBDPNQ-UHFFFAOYSA-N	0	1	395.532	0.332	20	30		GCEDMN
C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848962688	642590611	/nfs/dbraw/zinc/59/06/11/642590611.db2.gz	OTTQFTNINCYLQE-JTQLQIEISA-N	0	1	395.894	0.683	20	30		GCEDMN
C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C)C(C)C	ZINC000848963649	642595450	/nfs/dbraw/zinc/59/54/50/642595450.db2.gz	YBCCGSPYJCTJET-CYBMUJFWSA-N	0	1	376.504	0.736	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1	ZINC000848965375	642603022	/nfs/dbraw/zinc/60/30/22/642603022.db2.gz	NMOUIQSWEZNHKW-YPMHNXCESA-N	0	1	390.487	0.334	20	30		GCEDMN
C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848967643	642612383	/nfs/dbraw/zinc/61/23/83/642612383.db2.gz	ITCQOWNDYFVOPR-VIFPVBQESA-N	0	1	381.867	0.341	20	30		GCEDMN
C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848967642	642612567	/nfs/dbraw/zinc/61/25/67/642612567.db2.gz	ITCQOWNDYFVOPR-SECBINFHSA-N	0	1	381.867	0.341	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848968268	642614756	/nfs/dbraw/zinc/61/47/56/642614756.db2.gz	QGDOPAWFALRJGN-SNVBAGLBSA-N	0	1	380.879	0.593	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848969063	642617510	/nfs/dbraw/zinc/61/75/10/642617510.db2.gz	WKQKBVMOZJSGDL-UHFFFAOYSA-N	0	1	380.879	0.547	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)ncc1C	ZINC000848969590	642620704	/nfs/dbraw/zinc/62/07/04/642620704.db2.gz	SZPCQFCMWJKCGF-OAHLLOKOSA-N	0	1	387.527	0.926	20	30		GCEDMN
CCOC(=O)[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H](O)c1ccc(Cl)cc1	ZINC000859242917	642989291	/nfs/dbraw/zinc/98/92/91/642989291.db2.gz	PRJCWUPASISPRP-KBPBESRZSA-N	0	1	389.861	0.985	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(CC(=O)N(C)C)CC1)c1cc[nH]n1	ZINC000278880946	1192323571	/nfs/dbraw/zinc/32/35/71/1192323571.db2.gz	YOYMISQZLGEPIA-HEHNFIMWSA-N	0	1	393.444	0.410	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCOc1ncccc1F)c1ccn[nH]1	ZINC000278880909	1192324033	/nfs/dbraw/zinc/32/40/33/1192324033.db2.gz	YOPWVOXOZWTVKH-HYARGMPZSA-N	0	1	379.348	0.423	20	30		GCEDMN
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C)N1CCN(C)CC1	ZINC000265072619	1192360147	/nfs/dbraw/zinc/36/01/47/1192360147.db2.gz	UNVSUIHDZLUVLD-CQSZACIVSA-N	0	1	383.500	0.903	20	30		GCEDMN
CC(C)(C)c1cc(NC(=O)C(=O)NCc2nn[nH]n2)n(-c2ccc(C#N)cc2)n1	ZINC000585758063	1192405079	/nfs/dbraw/zinc/40/50/79/1192405079.db2.gz	BVGJYVQWXXCLDD-UHFFFAOYSA-N	0	1	393.411	0.809	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)CN1	ZINC000418914650	1192687813	/nfs/dbraw/zinc/68/78/13/1192687813.db2.gz	UDDQWYYISDPGPB-KEYYUXOJSA-N	0	1	383.452	0.379	20	30		GCEDMN
C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC3CCCCC3)CC2)C1=O	ZINC000410881517	1192912786	/nfs/dbraw/zinc/91/27/86/1192912786.db2.gz	CYQJJIATSOXZQN-SFHVURJKSA-N	0	1	390.528	0.956	20	30		GCEDMN
C[C@H](CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nn[nH]n1	ZINC000274737109	1184235204	/nfs/dbraw/zinc/23/52/04/1184235204.db2.gz	DUSNIIKWFCAPOA-GHMZBOCLSA-N	0	1	377.430	0.000	20	30		GCEDMN
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(=O)NC2CC2)c1	ZINC000471138108	1184235449	/nfs/dbraw/zinc/23/54/49/1184235449.db2.gz	VGVYLEWOQLJCNX-UHFFFAOYSA-N	0	1	390.381	0.742	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2CN2CCOCC2)CC1	ZINC000246093427	1184465982	/nfs/dbraw/zinc/46/59/82/1184465982.db2.gz	NYTPRVDKDMDDND-PMACEKPBSA-N	0	1	391.560	0.865	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000430389578	1184638901	/nfs/dbraw/zinc/63/89/01/1184638901.db2.gz	RAOAQNJZKCORCT-RCCFBDPRSA-N	0	1	379.501	0.655	20	30		GCEDMN
CC(C)c1nc([C@@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n[nH]1	ZINC000578474621	1184640766	/nfs/dbraw/zinc/64/07/66/1184640766.db2.gz	XABODGPMZSCVSI-LLVKDONJSA-N	0	1	376.442	0.955	20	30		GCEDMN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)CCO2)n1	ZINC000328663088	1184718303	/nfs/dbraw/zinc/71/83/03/1184718303.db2.gz	AXTDYUASBFNQOW-CVEARBPZSA-N	0	1	399.517	0.539	20	30		GCEDMN
N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000275590191	1184773487	/nfs/dbraw/zinc/77/34/87/1184773487.db2.gz	FPZHJSIMLULDFH-UHFFFAOYSA-N	0	1	397.439	0.280	20	30		GCEDMN
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1	ZINC000050150704	1185173082	/nfs/dbraw/zinc/17/30/82/1185173082.db2.gz	LVLVJZOQMQAJSW-KRWDZBQOSA-N	0	1	387.484	0.894	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCCOCC1	ZINC000275874800	1185213471	/nfs/dbraw/zinc/21/34/71/1185213471.db2.gz	OXOGIRWEANZYQV-CQSZACIVSA-N	0	1	380.470	0.064	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](Cn4ccnn4)C3)CC2)o1	ZINC000119223251	1185285922	/nfs/dbraw/zinc/28/59/22/1185285922.db2.gz	PTLJGADLPSCBAB-INIZCTEOSA-N	0	1	398.471	0.507	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1	ZINC000430554736	1185583753	/nfs/dbraw/zinc/58/37/53/1185583753.db2.gz	RAOAQNJZKCORCT-KZNAEPCWSA-N	0	1	379.501	0.655	20	30		GCEDMN
COc1ccc(CN2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1	ZINC000022195675	1185611773	/nfs/dbraw/zinc/61/17/73/1185611773.db2.gz	FTKQGQPCCPOROY-UHFFFAOYSA-N	0	1	383.452	0.677	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)c1nnc2ccccn21)c1ccn[nH]1	ZINC000276454554	1185829007	/nfs/dbraw/zinc/82/90/07/1185829007.db2.gz	BHPRNZZYJUXQAC-FYUXQQNOSA-N	0	1	385.384	0.614	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1(C(=O)N(C)C)CCCC1)c1ccn[nH]1	ZINC000276515264	1185855900	/nfs/dbraw/zinc/85/59/00/1185855900.db2.gz	BQLWVSUHSRBBLO-PXLXIMEGSA-N	0	1	393.444	0.458	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(OC)cc1)c1ccn[nH]1	ZINC000276551638	1185891421	/nfs/dbraw/zinc/89/14/21/1185891421.db2.gz	HVPJHAPCBIMVQL-HDHZYAPQSA-N	0	1	390.396	0.552	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCCN1CCCCCC1=O	ZINC000121482000	1185923195	/nfs/dbraw/zinc/92/31/95/1185923195.db2.gz	STGGFJXHSBWJAS-UHFFFAOYSA-N	0	1	389.504	0.637	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCC(=O)N1CCCCC1)c1ccn[nH]1	ZINC000276615888	1185929199	/nfs/dbraw/zinc/92/91/99/1185929199.db2.gz	QBQAKLQRSMJONN-LTGZKZEYSA-N	0	1	379.417	0.212	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCn1cnnc1C(C)C)c1ccn[nH]1	ZINC000276627566	1185930754	/nfs/dbraw/zinc/93/07/54/1185930754.db2.gz	SCJDBIKFFGLYMW-HYARGMPZSA-N	0	1	377.405	0.225	20	30		GCEDMN
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000510569988	1186029454	/nfs/dbraw/zinc/02/94/54/1186029454.db2.gz	LBMYCMLDVFVXMH-UHFFFAOYSA-N	0	1	381.436	0.979	20	30		GCEDMN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCCN3CCC[C@@H]3C(N)=O)C2)n1	ZINC000471955219	1186162242	/nfs/dbraw/zinc/16/22/42/1186162242.db2.gz	WSBQGYCJQFMUFY-QZTJIDSGSA-N	0	1	398.511	0.934	20	30		GCEDMN
CCCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000092618592	1186174163	/nfs/dbraw/zinc/17/41/63/1186174163.db2.gz	CMBXYDGGSGOREK-GOSISDBHSA-N	0	1	377.533	0.917	20	30		GCEDMN
CN(CC(=O)N1CCC[C@@H](c2nn[nH]n2)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000539327745	1186382779	/nfs/dbraw/zinc/38/27/79/1186382779.db2.gz	DZROATOIFBEZCJ-CYBMUJFWSA-N	0	1	389.441	0.098	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1)c1ccn[nH]1	ZINC001648915549	1186422000	/nfs/dbraw/zinc/42/20/00/1186422000.db2.gz	IEMNOWIZHVRNCD-TXEJJXNPSA-N	0	1	394.428	0.930	20	30		GCEDMN
C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1	ZINC000934473537	1186535799	/nfs/dbraw/zinc/53/57/99/1186535799.db2.gz	XAKLWEGSDXOZRC-OAHLLOKOSA-N	0	1	382.486	0.775	20	30		GCEDMN
CS(=O)(=O)NC[C@@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000051734658	1186556931	/nfs/dbraw/zinc/55/69/31/1186556931.db2.gz	VWQLIFAXQNTUTQ-IRXDYDNUSA-N	0	1	381.498	0.896	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(NC(=O)C2CC2)CC1)c1cc[nH]n1	ZINC000277752757	1186589464	/nfs/dbraw/zinc/58/94/64/1186589464.db2.gz	CLCLYQZBMGCMCB-CJLVFECKSA-N	0	1	391.428	0.211	20	30		GCEDMN
COC(=O)c1ccsc1N1CC[C@H](NC[C@H](O)CN(C)CCC#N)C1=O	ZINC000582720754	1186625328	/nfs/dbraw/zinc/62/53/28/1186625328.db2.gz	FKRBMDATPWLIEE-JSGCOSHPSA-N	0	1	380.470	0.436	20	30		GCEDMN
COC(=O)c1ccsc1N1CC[C@H](NC[C@@H](O)CN(C)CCC#N)C1=O	ZINC000582720755	1186625621	/nfs/dbraw/zinc/62/56/21/1186625621.db2.gz	FKRBMDATPWLIEE-OCCSQVGLSA-N	0	1	380.470	0.436	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1	ZINC000277935108	1186711371	/nfs/dbraw/zinc/71/13/71/1186711371.db2.gz	YXXWOYWRFQRIQA-GBESFXJTSA-N	0	1	388.516	0.120	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1	ZINC000277935104	1186711578	/nfs/dbraw/zinc/71/15/78/1186711578.db2.gz	YXXWOYWRFQRIQA-FHWLQOOXSA-N	0	1	388.516	0.120	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCN(C(=O)C(C)C)CC1)c1cc[nH]n1	ZINC000277940732	1186712951	/nfs/dbraw/zinc/71/29/51/1186712951.db2.gz	GLMFBDRPHKQHBE-LTGZKZEYSA-N	0	1	393.444	0.410	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCN(C(=O)OCC)CC1)c1cc[nH]n1	ZINC000278195920	1186823976	/nfs/dbraw/zinc/82/39/76/1186823976.db2.gz	RUDFDARRXJCXQQ-HMMYKYKNSA-N	0	1	395.416	0.384	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](NC(=O)OCC)C1)c1cc[nH]n1	ZINC000278200848	1186826385	/nfs/dbraw/zinc/82/63/85/1186826385.db2.gz	SBKIYYHUBGCLHG-GHTHLWOPSA-N	0	1	395.416	0.431	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCn1cnc2ccccc21)c1ccn[nH]1	ZINC000278215497	1186834775	/nfs/dbraw/zinc/83/47/75/1186834775.db2.gz	TYCCJZBYLJJKFS-HAVVHWLPSA-N	0	1	384.396	0.860	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)OCC)C1)c1ccn[nH]1	ZINC000278264141	1186861129	/nfs/dbraw/zinc/86/11/29/1186861129.db2.gz	AIGDNMATAPGMEY-BTNWAMHGSA-N	0	1	381.389	0.041	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1	ZINC000583507043	1186873599	/nfs/dbraw/zinc/87/35/99/1186873599.db2.gz	RFFVCAMVISDMGA-KSZLIROESA-N	0	1	380.533	0.472	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)Cn3nnc4ccccc4c3=O)CC2)C1=O	ZINC000329205990	1186877476	/nfs/dbraw/zinc/87/74/76/1186877476.db2.gz	XYHVMDFHSAFVRC-MRXNPFEDSA-N	0	1	384.440	0.443	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](C(=O)OC)[C@@H](C)C1)c1cc[nH]n1	ZINC000278328678	1186890551	/nfs/dbraw/zinc/89/05/51/1186890551.db2.gz	LTKKPMAKBGNQQQ-HXQHOIESSA-N	0	1	380.401	0.351	20	30		GCEDMN
C#CCNC(=O)CN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000728572564	1186916265	/nfs/dbraw/zinc/91/62/65/1186916265.db2.gz	KAWSDRVCCCBOIU-UHFFFAOYSA-N	0	1	382.464	0.430	20	30		GCEDMN
COc1ccnc(N2CCN(C(=O)C(=O)Nc3cc(C)c(C#N)cn3)CC2)c1	ZINC000583943142	1186966287	/nfs/dbraw/zinc/96/62/87/1186966287.db2.gz	AADYKZXDJAYWEU-UHFFFAOYSA-N	0	1	380.408	0.953	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CO)Cc1ccc(F)cc1)c1ccn[nH]1	ZINC000278609611	1186993228	/nfs/dbraw/zinc/99/32/28/1186993228.db2.gz	LGYGGFVKCCDPHY-WYOZQYPVSA-N	0	1	392.387	0.552	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H]1COC2(CCCC2)O1)c1ccn[nH]1	ZINC000278708596	1187027337	/nfs/dbraw/zinc/02/73/37/1187027337.db2.gz	QPXMYHCCOPMWCN-DRPFOCBESA-N	0	1	380.401	0.495	20	30		GCEDMN
CC(C)c1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)n[nH]1	ZINC000329756550	1187032061	/nfs/dbraw/zinc/03/20/61/1187032061.db2.gz	MIRVSMPMNMEFGM-CYBMUJFWSA-N	0	1	397.501	0.435	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc(OC)c1O)c1ccn[nH]1	ZINC000278729325	1187035550	/nfs/dbraw/zinc/03/55/50/1187035550.db2.gz	RWPRLTCTLMILRP-RCCKNPSSSA-N	0	1	376.369	0.724	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CO)c1ccc(F)cc1)c1ccn[nH]1	ZINC000278747029	1187044989	/nfs/dbraw/zinc/04/49/89/1187044989.db2.gz	STZMIDZRRPTUBM-TYIKUYDASA-N	0	1	378.360	0.682	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1ccccc1	ZINC001211618120	1187051108	/nfs/dbraw/zinc/05/11/08/1187051108.db2.gz	CINZGQULXXPTDG-BOLBYERCSA-N	0	1	387.480	0.677	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1O	ZINC001023960334	1187196107	/nfs/dbraw/zinc/19/61/07/1187196107.db2.gz	FRKAITXTJSBGFI-VQHPVUNQSA-N	0	1	379.501	0.387	20	30		GCEDMN
C=CCOc1cccc(NC(=O)C(=O)N(CCN(C)C)CC(=O)N(C)C)c1	ZINC000658567900	1187349045	/nfs/dbraw/zinc/34/90/45/1187349045.db2.gz	FOIVXVAVYCQNLS-UHFFFAOYSA-N	0	1	376.457	0.668	20	30		GCEDMN
C=CCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000685799772	1187570976	/nfs/dbraw/zinc/57/09/76/1187570976.db2.gz	DPSDAJXEPAHIHG-CVEARBPZSA-N	0	1	396.513	0.685	20	30		GCEDMN
Cn1c2ncc(S(=O)(=O)Nc3ccc(C#N)c(F)c3)cc2c(=O)[nH]c1=O	ZINC000581402631	1187713182	/nfs/dbraw/zinc/71/31/82/1187713182.db2.gz	VNFUNIVRZLJJMG-UHFFFAOYSA-N	0	1	375.341	0.846	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN(CCOCCO)C(C)C)CC2)o1	ZINC000549079801	1187867747	/nfs/dbraw/zinc/86/77/47/1187867747.db2.gz	JERUSJNJDTXWLR-UHFFFAOYSA-N	0	1	379.461	0.223	20	30		GCEDMN
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1	ZINC000415333315	1188038650	/nfs/dbraw/zinc/03/86/50/1188038650.db2.gz	PPXOJBDWCXRGSI-INIZCTEOSA-N	0	1	383.452	0.362	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1	ZINC001025766470	1188051664	/nfs/dbraw/zinc/05/16/64/1188051664.db2.gz	YIYNJQWVBAYQDT-BRSBDYLESA-N	0	1	385.464	0.416	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC[C@H]2C)cc1	ZINC000415343360	1188057508	/nfs/dbraw/zinc/05/75/08/1188057508.db2.gz	LHJAEGIFRASXGL-CYBMUJFWSA-N	0	1	380.470	0.252	20	30		GCEDMN
CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@H]2C1	ZINC000377937280	1189378607	/nfs/dbraw/zinc/37/86/07/1189378607.db2.gz	GDPJNALJORADCC-CJNGLKHVSA-N	0	1	379.424	0.630	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](CN3CCOCC3)C2)cc1	ZINC000290650569	1189429385	/nfs/dbraw/zinc/42/93/85/1189429385.db2.gz	AGHMINXHEPMJOL-MRXNPFEDSA-N	0	1	392.481	0.017	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1	ZINC000296667590	1189724719	/nfs/dbraw/zinc/72/47/19/1189724719.db2.gz	GKVDRWFHDOPVTG-UHOFOFEASA-N	0	1	375.425	0.981	20	30		GCEDMN
C#CCNC(=O)CN1CCC(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001267945383	1189744401	/nfs/dbraw/zinc/74/44/01/1189744401.db2.gz	IPJIQGYASRKVGX-JENIJYKNSA-N	0	1	377.485	0.006	20	30		GCEDMN
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CCN1CC#CCOC	ZINC001691488455	1189761159	/nfs/dbraw/zinc/76/11/59/1189761159.db2.gz	RYKUBTQRAFDEMR-WCIQWLHISA-N	0	1	393.528	0.485	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)OCCCN2CCO[C@H](C)C2)cc1	ZINC000893394322	1189879324	/nfs/dbraw/zinc/87/93/24/1189879324.db2.gz	UQNIXIZHXWRMDQ-OAHLLOKOSA-N	0	1	380.466	0.866	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]32)CC1	ZINC000975747519	1189970507	/nfs/dbraw/zinc/97/05/07/1189970507.db2.gz	BRWJRTCUNDLUEE-FUOQNJDISA-N	0	1	385.508	0.818	20	30		GCEDMN
N#Cc1ccc([C@@H](NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C(N)=O)cc1	ZINC000126208200	1193755573	/nfs/dbraw/zinc/75/55/73/1193755573.db2.gz	WKCXBVOGRDJEOX-CYBMUJFWSA-N	0	1	390.387	0.988	20	30		GCEDMN
C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)c1ccc(C#N)cc1	ZINC000419296940	1193792459	/nfs/dbraw/zinc/79/24/59/1193792459.db2.gz	YHADZLSOXKQOSS-QAPCUYQASA-N	0	1	397.479	0.406	20	30		GCEDMN
N#Cc1ccc(F)c(CS(=O)(=O)NCCCCN2CCN(CCO)CC2)c1	ZINC000500933206	1193819652	/nfs/dbraw/zinc/81/96/52/1193819652.db2.gz	BBBXRFJITIQFTP-UHFFFAOYSA-N	0	1	398.504	0.507	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)CN1	ZINC000419613614	1194073464	/nfs/dbraw/zinc/07/34/64/1194073464.db2.gz	LAZSZSGZSHLPMX-VBJONLRCSA-N	0	1	385.468	0.968	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)c(C#N)cn1CC	ZINC000421211199	1194305852	/nfs/dbraw/zinc/30/58/52/1194305852.db2.gz	IBVBETSOJAIRGB-CYBMUJFWSA-N	0	1	387.440	0.848	20	30		GCEDMN
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000423087242	1194726497	/nfs/dbraw/zinc/72/64/97/1194726497.db2.gz	NKZFELBTYRTQPE-SFHVURJKSA-N	0	1	397.479	0.187	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CCN1	ZINC000423212378	1194737579	/nfs/dbraw/zinc/73/75/79/1194737579.db2.gz	IJGAUCOSZDQVRG-HNNXBMFYSA-N	0	1	392.463	0.575	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCN1	ZINC000423229437	1194742117	/nfs/dbraw/zinc/74/21/17/1194742117.db2.gz	GYJFETHPWIUDMG-UHFFFAOYSA-N	0	1	397.479	0.946	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCN1	ZINC000423230552	1194742388	/nfs/dbraw/zinc/74/23/88/1194742388.db2.gz	JKHRYBIMZGSKRA-AWEZNQCLSA-N	0	1	383.452	0.556	20	30		GCEDMN
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000423340295	1194750260	/nfs/dbraw/zinc/75/02/60/1194750260.db2.gz	JHLZNFXBTKSESI-KRWDZBQOSA-N	0	1	378.517	0.862	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CCN1	ZINC000423560746	1194764164	/nfs/dbraw/zinc/76/41/64/1194764164.db2.gz	LMEVFTXYROGXCP-RNODOKPDSA-N	0	1	381.436	0.069	20	30		GCEDMN
C[C@H]1CNCCN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000423615720	1194773885	/nfs/dbraw/zinc/77/38/85/1194773885.db2.gz	ZGGOYSSRHANZMT-AWEZNQCLSA-N	0	1	383.452	0.556	20	30		GCEDMN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H](O)CN1CCOCC1	ZINC000434981894	1194880234	/nfs/dbraw/zinc/88/02/34/1194880234.db2.gz	MJCVAAOJEQQPOM-AGYKMIKPSA-N	0	1	380.533	0.931	20	30		GCEDMN
C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1	ZINC000425380087	1194932414	/nfs/dbraw/zinc/93/24/14/1194932414.db2.gz	DWGVLFHKWMHHGJ-QFBILLFUSA-N	0	1	399.470	0.899	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1OCC	ZINC000983347466	1194971922	/nfs/dbraw/zinc/97/19/22/1194971922.db2.gz	JWMKRSUTINZWTE-LVQVYYBASA-N	0	1	391.472	0.308	20	30		GCEDMN
Cc1cc(C(=O)N2CCN(C(=O)CN(C)C)CC2)nn1-c1cccc(C#N)c1	ZINC000505747545	1194981863	/nfs/dbraw/zinc/98/18/63/1194981863.db2.gz	LLCVASGDGPOOAS-UHFFFAOYSA-N	0	1	380.452	0.898	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OCC	ZINC000983371758	1195028520	/nfs/dbraw/zinc/02/85/20/1195028520.db2.gz	AUICVRRDQSCJGZ-MXASKKJJSA-N	0	1	376.457	0.523	20	30		GCEDMN
CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC2=CCN(C)CC2)cc1	ZINC000516194544	1195030487	/nfs/dbraw/zinc/03/04/87/1195030487.db2.gz	MFEWDWWHJJVWSI-UHFFFAOYSA-N	0	1	398.510	0.371	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)N1CC[C@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001270292334	1195177350	/nfs/dbraw/zinc/17/73/50/1195177350.db2.gz	OMJCYGFJWAGJKJ-ACJLOTCBSA-N	0	1	375.450	0.659	20	30		GCEDMN
CCOCCN1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270294078	1195180733	/nfs/dbraw/zinc/18/07/33/1195180733.db2.gz	VPJDUZUOIBNMMN-AWEZNQCLSA-N	0	1	377.466	0.907	20	30		GCEDMN
N#Cc1ccc(NC(=O)CS(=O)(=O)C2N=NC(=O)N2C[C@@H]2CCCO2)cc1	ZINC000518158898	1195256962	/nfs/dbraw/zinc/25/69/62/1195256962.db2.gz	HBEHDRLZCFEASJ-ZDUSSCGKSA-N	0	1	391.409	0.447	20	30		GCEDMN
COC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000509566165	1195258395	/nfs/dbraw/zinc/25/83/95/1195258395.db2.gz	CVWKZWPBZZTRHR-UHFFFAOYSA-N	0	1	388.405	0.586	20	30		GCEDMN
COCC[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000518606925	1195309171	/nfs/dbraw/zinc/30/91/71/1195309171.db2.gz	MKRSPCXXFZPMHG-HNNXBMFYSA-N	0	1	380.470	0.016	20	30		GCEDMN
C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000439359883	1195313821	/nfs/dbraw/zinc/31/38/21/1195313821.db2.gz	OPRPPFHZIBYVOE-ZDUSSCGKSA-N	0	1	384.415	1.374	20	30		GCEDMN
C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000439359883	1195313825	/nfs/dbraw/zinc/31/38/25/1195313825.db2.gz	OPRPPFHZIBYVOE-ZDUSSCGKSA-N	0	1	384.415	1.374	20	30		GCEDMN
N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1	ZINC000439603809	1195336377	/nfs/dbraw/zinc/33/63/77/1195336377.db2.gz	XZWNDEKLELHIOR-UHFFFAOYSA-N	0	1	391.391	0.938	20	30		GCEDMN
Cc1ncc(S(=O)(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1C#N	ZINC000427306882	1195526642	/nfs/dbraw/zinc/52/66/42/1195526642.db2.gz	DGBZCCVAHNDKGX-HNNXBMFYSA-N	0	1	385.405	0.813	20	30		GCEDMN
Cc1ncc(S(=O)(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)cc1C#N	ZINC000427324583	1195527672	/nfs/dbraw/zinc/52/76/72/1195527672.db2.gz	NTDIFQAYJOBRFV-UHFFFAOYSA-N	0	1	388.409	0.669	20	30		GCEDMN
C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1nnc[nH]1	ZINC000441354282	1195625142	/nfs/dbraw/zinc/62/51/42/1195625142.db2.gz	IBIQSFNUGKHFRJ-VIFPVBQESA-N	0	1	384.787	1.331	20	30		GCEDMN
CC[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)C(=O)N1CCOCC1	ZINC000328754288	1195663779	/nfs/dbraw/zinc/66/37/79/1195663779.db2.gz	SLHXLHIJEZCJIV-IAGOWNOFSA-N	0	1	382.505	0.582	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@]1(N3CCOCC3)CCSC1)CC2	ZINC000328817610	1195666525	/nfs/dbraw/zinc/66/65/25/1195666525.db2.gz	OYLIZPJUDUHIJG-PBHICJAKSA-N	0	1	380.518	0.613	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@@]1(N3CCOCC3)CCSC1)CC2	ZINC000328817610	1195666530	/nfs/dbraw/zinc/66/65/30/1195666530.db2.gz	OYLIZPJUDUHIJG-PBHICJAKSA-N	0	1	380.518	0.613	20	30		GCEDMN
CS(=O)(=O)N1CCC(CNC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1	ZINC000328786878	1195667649	/nfs/dbraw/zinc/66/76/49/1195667649.db2.gz	WWADJYINNHDQJL-INIZCTEOSA-N	0	1	388.534	0.226	20	30		GCEDMN
C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1	ZINC000328858317	1195671684	/nfs/dbraw/zinc/67/16/84/1195671684.db2.gz	YHPNWLQMSBLEPN-CJNGLKHVSA-N	0	1	381.502	0.884	20	30		GCEDMN
CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)Cc2ccccc21	ZINC000328896570	1195675234	/nfs/dbraw/zinc/67/52/34/1195675234.db2.gz	CDTBIOMQSBFZNK-CQSZACIVSA-N	0	1	390.469	0.789	20	30		GCEDMN
CCS(=O)(=O)NC1CCN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1	ZINC000330473330	1195689688	/nfs/dbraw/zinc/68/96/88/1195689688.db2.gz	GIHNLUKIBAYEHO-INIZCTEOSA-N	0	1	390.550	0.661	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1	ZINC000331217555	1195724268	/nfs/dbraw/zinc/72/42/68/1195724268.db2.gz	GKSGNRDOEZNATP-OAHLLOKOSA-N	0	1	384.521	0.705	20	30		GCEDMN
C=CCn1cc(CNC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)nn1	ZINC000424925852	1195763060	/nfs/dbraw/zinc/76/30/60/1195763060.db2.gz	QWMBPCOXIXHVRE-UHFFFAOYSA-N	0	1	382.310	0.420	20	30		GCEDMN
CCOCCO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000441663635	1195812087	/nfs/dbraw/zinc/81/20/87/1195812087.db2.gz	DDXGVAJVYLJGKT-INIZCTEOSA-N	0	1	391.472	0.631	20	30		GCEDMN
CCOCCO[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000441663635	1195812089	/nfs/dbraw/zinc/81/20/89/1195812089.db2.gz	DDXGVAJVYLJGKT-INIZCTEOSA-N	0	1	391.472	0.631	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cc1F	ZINC000427925633	1195899283	/nfs/dbraw/zinc/89/92/83/1195899283.db2.gz	OEBFBWLOLHKOLB-AWEZNQCLSA-N	0	1	380.445	0.530	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1	ZINC000521860376	1196020965	/nfs/dbraw/zinc/02/09/65/1196020965.db2.gz	LSNMZBDINZTFMF-HNNXBMFYSA-N	0	1	384.436	0.915	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1CC	ZINC001087732169	1196069683	/nfs/dbraw/zinc/06/96/83/1196069683.db2.gz	GFFQKSRNJCTOAK-TWMKSMIVSA-N	0	1	390.484	0.144	20	30		GCEDMN
C#CCN1CCC(Nc2nc(NC3CC[NH+](CC#C)CC3)nc(OC)n2)CC1	ZINC000895809276	1196112710	/nfs/dbraw/zinc/11/27/10/1196112710.db2.gz	SQNVIEIQTDYTKT-UHFFFAOYSA-N	0	1	383.500	0.899	20	30		GCEDMN
C#CCN1CCC(Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1	ZINC000895808220	1196113575	/nfs/dbraw/zinc/11/35/75/1196113575.db2.gz	IRJPUUIAJSEPLT-UHFFFAOYSA-N	0	1	376.482	0.462	20	30		GCEDMN
N#Cc1csc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)n1	ZINC000896467745	1196148826	/nfs/dbraw/zinc/14/88/26/1196148826.db2.gz	HAEWDECTORTLRU-AWEZNQCLSA-N	0	1	378.502	0.611	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)N2CCCS(=O)(=O)CC2)CC1	ZINC000329010617	1196156052	/nfs/dbraw/zinc/15/60/52/1196156052.db2.gz	OLIYDPXBWUTGPW-UHFFFAOYSA-N	0	1	381.502	0.368	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@H]3CCN(C)C[C@@H]32)c1C	ZINC000329022946	1196157074	/nfs/dbraw/zinc/15/70/74/1196157074.db2.gz	MTGCKOWOPACWTF-IRXDYDNUSA-N	0	1	396.513	0.944	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@@H]3CCN(C)C[C@@H]32)c1C	ZINC000329022944	1196157166	/nfs/dbraw/zinc/15/71/66/1196157166.db2.gz	MTGCKOWOPACWTF-DLBZAZTESA-N	0	1	396.513	0.944	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]3[C@@H](C1)NC(=O)N3C(C)C)CC2	ZINC000329058233	1196160414	/nfs/dbraw/zinc/16/04/14/1196160414.db2.gz	MTTFAOPEQIYSEQ-MCIONIFRSA-N	0	1	391.476	0.734	20	30		GCEDMN
CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1	ZINC000329062397	1196160506	/nfs/dbraw/zinc/16/05/06/1196160506.db2.gz	NWHJDOQELVXCHV-NLWGTHIKSA-N	0	1	375.469	0.952	20	30		GCEDMN
CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)C1	ZINC000329062397	1196160508	/nfs/dbraw/zinc/16/05/08/1196160508.db2.gz	NWHJDOQELVXCHV-NLWGTHIKSA-N	0	1	375.469	0.952	20	30		GCEDMN
Cc1cc(O)cc(=O)n1CCC(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1	ZINC000329186747	1196173842	/nfs/dbraw/zinc/17/38/42/1196173842.db2.gz	PWTHAZHLTVHGHL-INIZCTEOSA-N	0	1	376.457	0.904	20	30		GCEDMN
CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1	ZINC000329187680	1196173922	/nfs/dbraw/zinc/17/39/22/1196173922.db2.gz	QXHWXBOMUPYANV-HZPDHXFCSA-N	0	1	387.550	0.036	20	30		GCEDMN
Cc1cc(O)cc(=O)n1CCC(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1	ZINC000329186748	1196173950	/nfs/dbraw/zinc/17/39/50/1196173950.db2.gz	PWTHAZHLTVHGHL-MRXNPFEDSA-N	0	1	376.457	0.904	20	30		GCEDMN
Cn1cc(-n2cc(C(=O)NC3CCN([C@@H]4CCN(C)C4=O)CC3)ccc2=O)cn1	ZINC000329206766	1196175706	/nfs/dbraw/zinc/17/57/06/1196175706.db2.gz	YHHNKYHFGZMKJL-QGZVFWFLSA-N	0	1	398.467	0.571	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCN(C)CC1	ZINC000329230285	1196178285	/nfs/dbraw/zinc/17/82/85/1196178285.db2.gz	JXWWDGJASMTWHS-HOTGVXAUSA-N	0	1	389.566	0.138	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)[C@H](C)C1	ZINC000329261220	1196181077	/nfs/dbraw/zinc/18/10/77/1196181077.db2.gz	AUIKLWAETUNNQG-IXDOHACOSA-N	0	1	381.521	0.968	20	30		GCEDMN
C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329262797	1196181099	/nfs/dbraw/zinc/18/10/99/1196181099.db2.gz	BHGHFQVAVTVSDQ-CABCVRRESA-N	0	1	385.490	0.312	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N[C@H]1CCCN(S(C)(=O)=O)C1)CC2	ZINC000329265993	1196181538	/nfs/dbraw/zinc/18/15/38/1196181538.db2.gz	CQGANWGJEAXFCS-QWHCGFSZSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)CC2	ZINC000329265993	1196181540	/nfs/dbraw/zinc/18/15/40/1196181540.db2.gz	CQGANWGJEAXFCS-QWHCGFSZSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)CC2	ZINC000329313472	1196184915	/nfs/dbraw/zinc/18/49/15/1196184915.db2.gz	GUMWZVREENAPTR-RDBSUJKOSA-N	0	1	378.477	0.856	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)CC2	ZINC000329313472	1196184917	/nfs/dbraw/zinc/18/49/17/1196184917.db2.gz	GUMWZVREENAPTR-RDBSUJKOSA-N	0	1	378.477	0.856	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)CC2	ZINC000329349182	1196187812	/nfs/dbraw/zinc/18/78/12/1196187812.db2.gz	SOAADZBJPSHDRM-ZIAGYGMSSA-N	0	1	398.533	0.892	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(C(=O)[C@H]3CCCO3)CC1)CC2	ZINC000329364033	1196189146	/nfs/dbraw/zinc/18/91/46/1196189146.db2.gz	ZXIUKMZQOILOTA-HUUCEWRRSA-N	0	1	390.488	0.954	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1	ZINC000329373476	1196189662	/nfs/dbraw/zinc/18/96/62/1196189662.db2.gz	NAJNOGZQLCBHEA-OAHLLOKOSA-N	0	1	383.452	0.826	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C(=O)N3CCCC3)C1)CC2	ZINC000329467621	1196198910	/nfs/dbraw/zinc/19/89/10/1196198910.db2.gz	WSEXXAZCOUBEME-UONOGXRCSA-N	0	1	376.461	0.598	20	30		GCEDMN
C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329774320	1196230663	/nfs/dbraw/zinc/23/06/63/1196230663.db2.gz	MDJBENGXWPAFCK-INIZCTEOSA-N	0	1	386.562	0.970	20	30		GCEDMN
CC[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C[C@@H](C)S1(=O)=O	ZINC000329793919	1196231552	/nfs/dbraw/zinc/23/15/52/1196231552.db2.gz	FVULTFUEDGTKRH-JHJVBQTASA-N	0	1	385.490	0.551	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N3CCN4CCOC[C@H]4C3)cn2)CC1	ZINC000329808156	1196232306	/nfs/dbraw/zinc/23/23/06/1196232306.db2.gz	BPLLFTZFSSDCDV-GOSISDBHSA-N	0	1	388.516	0.654	20	30		GCEDMN
Cc1nc2n(n1)C[C@@H](NC([O-])=[NH+]C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)CC2	ZINC000329898970	1196237050	/nfs/dbraw/zinc/23/70/50/1196237050.db2.gz	FDIYOCUBWWXBTL-JYJNAYRXSA-N	0	1	390.467	0.751	20	30		GCEDMN
Cc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)CC2	ZINC000329898970	1196237054	/nfs/dbraw/zinc/23/70/54/1196237054.db2.gz	FDIYOCUBWWXBTL-JYJNAYRXSA-N	0	1	390.467	0.751	20	30		GCEDMN
Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NC2CCN(CC3CC3)CC2)cn1	ZINC000329916826	1196238465	/nfs/dbraw/zinc/23/84/65/1196238465.db2.gz	DYKJMOXAWDLIIV-KRWDZBQOSA-N	0	1	395.529	0.980	20	30		GCEDMN
Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NC2CCN(CC3CC3)CC2)cn1	ZINC000329916827	1196238591	/nfs/dbraw/zinc/23/85/91/1196238591.db2.gz	DYKJMOXAWDLIIV-QGZVFWFLSA-N	0	1	395.529	0.980	20	30		GCEDMN
C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21	ZINC000329979021	1196243863	/nfs/dbraw/zinc/24/38/63/1196243863.db2.gz	ITILQSPPXUKIOK-IXDOHACOSA-N	0	1	386.562	0.968	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1	ZINC000330123980	1196254165	/nfs/dbraw/zinc/25/41/65/1196254165.db2.gz	AYWAXBMFEZDCDG-MSOLQXFVSA-N	0	1	395.548	0.496	20	30		GCEDMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)C1	ZINC000330234700	1196260739	/nfs/dbraw/zinc/26/07/39/1196260739.db2.gz	GODOINDCVAVKLJ-FUHWJXTLSA-N	0	1	393.532	0.391	20	30		GCEDMN
C[C@H](NC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[C@H](C)N1CCOCC1	ZINC000330326843	1196284659	/nfs/dbraw/zinc/28/46/59/1196284659.db2.gz	KKLYRHDHDAIRBO-IHRRRGAJSA-N	0	1	379.465	0.037	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO	ZINC000281712024	1196323412	/nfs/dbraw/zinc/32/34/12/1196323412.db2.gz	DEKUWTHKEGEBGY-NXHRZFHOSA-N	0	1	380.514	0.795	20	30		GCEDMN
COCCCN(CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000446058972	1196611255	/nfs/dbraw/zinc/61/12/55/1196611255.db2.gz	FGSBSQDEXSMZAH-MRXNPFEDSA-N	0	1	380.514	0.788	20	30		GCEDMN
CN(C[C@@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1)S(C)(=O)=O	ZINC000528503264	1196864447	/nfs/dbraw/zinc/86/44/47/1196864447.db2.gz	DZTNUGODQGAFQL-RDJZCZTQSA-N	0	1	381.498	0.901	20	30		GCEDMN
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](CO)C2)CC1	ZINC000528607264	1196872149	/nfs/dbraw/zinc/87/21/49/1196872149.db2.gz	WDYPVUQTEMYBKW-LNLFQRSKSA-N	0	1	390.459	0.067	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@]2(CO)COc3ccccc3C2)CC1	ZINC000528645726	1196874079	/nfs/dbraw/zinc/87/40/79/1196874079.db2.gz	NUYIFMIDVHLJIT-WIYYLYMNSA-N	0	1	386.496	0.635	20	30		GCEDMN
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2COCCN2)CC1	ZINC000529372126	1196918144	/nfs/dbraw/zinc/91/81/44/1196918144.db2.gz	DGTCZEOAILDITK-CYBMUJFWSA-N	0	1	386.412	0.626	20	30		GCEDMN
C[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000530413916	1196986220	/nfs/dbraw/zinc/98/62/20/1196986220.db2.gz	QJMQEONKJXZFSS-UONOGXRCSA-N	0	1	385.424	0.910	20	30		GCEDMN
COC[C@@]1(C(=O)OC)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000451334973	1196989131	/nfs/dbraw/zinc/98/91/31/1196989131.db2.gz	MCEGMCGMXXTHTM-VQIMIIECSA-N	0	1	380.489	0.190	20	30		GCEDMN
Cn1c(=O)c(C#N)c(N2CCCN(Cc3ccc(C#N)cc3)CC2)n(C)c1=O	ZINC000054369721	1197016001	/nfs/dbraw/zinc/01/60/01/1197016001.db2.gz	QJWCCHRHBSWFJM-UHFFFAOYSA-N	0	1	378.436	0.540	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)N[C@@H](C)Cc1ccccc1C	ZINC000453029186	1197094709	/nfs/dbraw/zinc/09/47/09/1197094709.db2.gz	PCOVGHJKLCUTQG-ZDUSSCGKSA-N	0	1	378.454	0.999	20	30		GCEDMN
CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2	ZINC000180675886	1197201956	/nfs/dbraw/zinc/20/19/56/1197201956.db2.gz	DITNTKIJYNEDQS-IPMKNSEASA-N	0	1	392.544	0.931	20	30		GCEDMN
N#Cc1ccc(CN2CC[C@@H](N3C(=O)N[C@@H](Cc4cnc[nH]4)C3=O)C2=O)cc1	ZINC000348558930	1197237884	/nfs/dbraw/zinc/23/78/84/1197237884.db2.gz	WYWOSEPAPAPYKO-JKSUJKDBSA-N	0	1	378.392	0.545	20	30		GCEDMN
CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)CCCc2nn[nH]n2)c1	ZINC001625969600	1197265189	/nfs/dbraw/zinc/26/51/89/1197265189.db2.gz	GUFKBPRAJFLSJG-HKWRFOASSA-N	0	1	391.457	0.974	20	30		GCEDMN
Cn1c2ncc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2c(=O)n(C)c1=O	ZINC000041507058	1197301597	/nfs/dbraw/zinc/30/15/97/1197301597.db2.gz	KHPKNGUBNOIEBR-CYBMUJFWSA-N	0	1	393.407	0.440	20	30		GCEDMN
CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2	ZINC000245961338	1197441091	/nfs/dbraw/zinc/44/10/91/1197441091.db2.gz	DITNTKIJYNEDQS-GUDVDZBRSA-N	0	1	392.544	0.931	20	30		GCEDMN
C[C@H](CO)[N@H+]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000470088650	1197441516	/nfs/dbraw/zinc/44/15/16/1197441516.db2.gz	XYPPDZMOXYJXNO-OAHLLOKOSA-N	0	1	394.497	0.094	20	30		GCEDMN
C#CCN1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)NCCOC)cc1	ZINC000729809560	1197525327	/nfs/dbraw/zinc/52/53/27/1197525327.db2.gz	LSXZMHXGBKWZSZ-MRXNPFEDSA-N	0	1	380.466	0.866	20	30		GCEDMN
CC(C)[C@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(N)=O	ZINC000459479359	1197581634	/nfs/dbraw/zinc/58/16/34/1197581634.db2.gz	KLTATZYTTPILEN-KSSFIOAISA-N	0	1	377.514	0.947	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO	ZINC000282298591	1198963333	/nfs/dbraw/zinc/96/33/33/1198963333.db2.gz	LRGPVKKLPWLVEK-KBAYOESNSA-N	0	1	380.514	0.938	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO	ZINC000282298597	1198963615	/nfs/dbraw/zinc/96/36/15/1198963615.db2.gz	LRGPVKKLPWLVEK-NJAFHUGGSA-N	0	1	380.514	0.938	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO	ZINC000282298587	1198963745	/nfs/dbraw/zinc/96/37/45/1198963745.db2.gz	LRGPVKKLPWLVEK-BPQIPLTHSA-N	0	1	380.514	0.938	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000265715876	1198971416	/nfs/dbraw/zinc/97/14/16/1198971416.db2.gz	XRVYVGSQCDKLDB-FQEVSTJZSA-N	0	1	391.475	0.782	20	30		GCEDMN
Cn1c2ccccc2nc1C(C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000765966686	1199264969	/nfs/dbraw/zinc/26/49/69/1199264969.db2.gz	JQYGUFOKYNINJO-ZDUSSCGKSA-N	0	1	375.454	0.327	20	30		GCEDMN
COc1cc(C#N)ccc1OCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000265846553	1199653578	/nfs/dbraw/zinc/65/35/78/1199653578.db2.gz	OXQYOVQQAQVOLQ-HZPDHXFCSA-N	0	1	395.481	0.033	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)c(F)c1	ZINC000124283654	1199836752	/nfs/dbraw/zinc/83/67/52/1199836752.db2.gz	YHZXTRRWZRUVAZ-UHFFFAOYSA-N	0	1	397.407	0.900	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4[nH]nnc4C2)C3)c1	ZINC001004336397	1199862103	/nfs/dbraw/zinc/86/21/03/1199862103.db2.gz	OIBHETWMBNOTTP-NENTXLIVSA-N	0	1	379.424	0.671	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4nn[nH]c4C2)C3)c1	ZINC001004336397	1199862108	/nfs/dbraw/zinc/86/21/08/1199862108.db2.gz	OIBHETWMBNOTTP-NENTXLIVSA-N	0	1	379.424	0.671	20	30		GCEDMN
C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1O	ZINC000509141353	1199941783	/nfs/dbraw/zinc/94/17/83/1199941783.db2.gz	UVGGSPWYALEGAX-DZGCQCFKSA-N	0	1	385.424	0.767	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(F)CCOC2)C3)CC1	ZINC001005342074	1200258114	/nfs/dbraw/zinc/25/81/14/1200258114.db2.gz	UMIXLWPCRQZBID-PDOICOKGSA-N	0	1	377.460	0.708	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H](n2ccnn2)C1	ZINC001129272190	1200600623	/nfs/dbraw/zinc/60/06/23/1200600623.db2.gz	ZRWWICWKGHKVEV-MLHJIOFPSA-N	0	1	385.472	0.359	20	30		GCEDMN
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(Cc3nnc[nH]3)CC2)n1	ZINC000593177902	1200675537	/nfs/dbraw/zinc/67/55/37/1200675537.db2.gz	FIWXJNULBODCNR-UHFFFAOYSA-N	0	1	395.402	1.351	20	30		GCEDMN
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3n[nH]nc3C2)CC1	ZINC000429301160	1200750488	/nfs/dbraw/zinc/75/04/88/1200750488.db2.gz	KPRPCGJLRMSSGH-GOSISDBHSA-N	0	1	383.431	0.711	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)nn1CCC#N	ZINC000504040190	1200781971	/nfs/dbraw/zinc/78/19/71/1200781971.db2.gz	ASQTVTAFOWHCJT-MRXNPFEDSA-N	0	1	388.472	0.615	20	30		GCEDMN
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)CN3CCN(C)CC3)CC2)no1	ZINC000329132874	1200825040	/nfs/dbraw/zinc/82/50/40/1200825040.db2.gz	AVXZCRGGSIEAKJ-AWEZNQCLSA-N	0	1	392.504	1.183	20	30		GCEDMN
Cc1cc(NC(=O)C2CCN(C(=O)N[C@H](C)CN3CCN(C)CC3)CC2)no1	ZINC000329132875	1200825677	/nfs/dbraw/zinc/82/56/77/1200825677.db2.gz	AVXZCRGGSIEAKJ-CQSZACIVSA-N	0	1	392.504	1.183	20	30		GCEDMN
CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCN(C2CC2)C1	ZINC000439596891	1201059909	/nfs/dbraw/zinc/05/99/09/1201059909.db2.gz	PHQQWAFNTOXOOP-HNNXBMFYSA-N	0	1	396.426	1.517	20	30		GCEDMN
COC(=O)[C@@H]1CC12CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2	ZINC000611371758	1201232978	/nfs/dbraw/zinc/23/29/78/1201232978.db2.gz	CDRYOOYQMUUTOG-DLBZAZTESA-N	0	1	376.501	0.954	20	30		GCEDMN
C[C@@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1	ZINC000611386539	1201235529	/nfs/dbraw/zinc/23/55/29/1201235529.db2.gz	MVUGNEGBPNADKU-QAPCUYQASA-N	0	1	390.509	0.540	20	30		GCEDMN
COCCN(C(=O)CN[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000611388024	1201235583	/nfs/dbraw/zinc/23/55/83/1201235583.db2.gz	WCZQQPLONPAMEA-WMLDXEAASA-N	0	1	379.482	0.871	20	30		GCEDMN
C#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1c1ccccc1F	ZINC001079310650	1201251824	/nfs/dbraw/zinc/25/18/24/1201251824.db2.gz	BPVQCDVVPGJSCJ-WZGPROSRSA-N	0	1	387.455	0.979	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C	ZINC001080589886	1201276951	/nfs/dbraw/zinc/27/69/51/1201276951.db2.gz	QNCZWVVZAWWDMZ-DLTWYDFYSA-N	0	1	378.473	0.346	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1	ZINC001081010414	1201291703	/nfs/dbraw/zinc/29/17/03/1201291703.db2.gz	AWZNPYQBIBGHJF-ANQUJSFKSA-N	0	1	388.468	0.574	20	30		GCEDMN
C#CCNC(=O)[C@@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O	ZINC000728106310	1201398367	/nfs/dbraw/zinc/39/83/67/1201398367.db2.gz	VHGFABLHMVHIRG-SNVBAGLBSA-N	0	1	381.410	0.311	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]21	ZINC001084712826	1201440670	/nfs/dbraw/zinc/44/06/70/1201440670.db2.gz	XGIUYILJDJBVIP-HPFXQQBRSA-N	0	1	390.484	0.442	20	30		GCEDMN
O=C(NCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1N=CC=CC1=O	ZINC000731851022	1201505149	/nfs/dbraw/zinc/50/51/49/1201505149.db2.gz	CQWWXZKRBBZHBC-WYMLVPIESA-N	0	1	384.345	0.539	20	30		GCEDMN
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(C)CCN2C)ccc1F	ZINC000732149750	1201525069	/nfs/dbraw/zinc/52/50/69/1201525069.db2.gz	ONFPHZOLSKLDJE-CQSZACIVSA-N	0	1	384.477	0.266	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1	ZINC000733855412	1201610547	/nfs/dbraw/zinc/61/05/47/1201610547.db2.gz	IMHYNBQYNGNOJC-UHFFFAOYSA-N	0	1	380.408	0.194	20	30		GCEDMN
C#CCOc1ccccc1CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC000734671419	1201659437	/nfs/dbraw/zinc/65/94/37/1201659437.db2.gz	RAKNRBCRGKVRMX-IBGZPJMESA-N	0	1	386.496	0.904	20	30		GCEDMN
CCC[C@@H](NC(=O)CCN=C1NS(=O)(=O)c2ccccc21)c1nn[nH]n1	ZINC000736429845	1201714246	/nfs/dbraw/zinc/71/42/46/1201714246.db2.gz	FGFPWRNQBNLPBA-LLVKDONJSA-N	0	1	377.430	0.286	20	30		GCEDMN
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cn(CC(N)=O)nn1	ZINC000744029922	1201833107	/nfs/dbraw/zinc/83/31/07/1201833107.db2.gz	WZUFOSTXDUAUMW-SECBINFHSA-N	0	1	390.787	0.695	20	30		GCEDMN
Cc1c(C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)nnn1C	ZINC000744035718	1201833986	/nfs/dbraw/zinc/83/39/86/1201833986.db2.gz	VDGWCOJCPPQKTR-SECBINFHSA-N	0	1	386.324	0.764	20	30		GCEDMN
NC(=NOCC(=O)NC1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000744443432	1201843845	/nfs/dbraw/zinc/84/38/45/1201843845.db2.gz	XJASZJKZLSEZJV-UHFFFAOYSA-N	0	1	376.457	0.580	20	30		GCEDMN
C=CCSCC(=O)N1CCc2[nH]nc(C(=O)NCc3noc(C)n3)c2C1	ZINC001273422366	1201844290	/nfs/dbraw/zinc/84/42/90/1201844290.db2.gz	MADWFKUFPVCGCO-UHFFFAOYSA-N	0	1	376.442	0.835	20	30		GCEDMN
C#CCNC(=O)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1	ZINC000745537337	1201881008	/nfs/dbraw/zinc/88/10/08/1201881008.db2.gz	KOBIREOHZGAGSA-JTQLQIEISA-N	0	1	384.410	0.370	20	30		GCEDMN
C=CCCCN1CC(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2=O)C1	ZINC001108557631	1201956981	/nfs/dbraw/zinc/95/69/81/1201956981.db2.gz	VPARUIHKTTVYLQ-RIVXBTQJSA-N	0	1	377.485	0.405	20	30		GCEDMN
CCC[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000767123863	1201966862	/nfs/dbraw/zinc/96/68/62/1201966862.db2.gz	ULXKHCGRUPAHKL-MJWGMMHASA-N	0	1	378.473	0.862	20	30		GCEDMN
C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)NC(C)(C)C1=O	ZINC001109065339	1201992217	/nfs/dbraw/zinc/99/22/17/1201992217.db2.gz	KQGXJUYHTPFONN-ILXRZTDVSA-N	0	1	378.473	0.631	20	30		GCEDMN
C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C(=O)NC)cc1	ZINC001109168441	1201999753	/nfs/dbraw/zinc/99/97/53/1201999753.db2.gz	XXIPOWNVKUHWLH-SQNIBIBYSA-N	0	1	382.464	0.407	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O	ZINC001109304204	1202018320	/nfs/dbraw/zinc/01/83/20/1202018320.db2.gz	PACOYSSLUPXVRD-GFEQUFNTSA-N	0	1	379.501	0.842	20	30		GCEDMN
C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O)OCC	ZINC001109361330	1202024842	/nfs/dbraw/zinc/02/48/42/1202024842.db2.gz	SPAAFEYAAFBVIO-UGUYLWEFSA-N	0	1	378.473	0.631	20	30		GCEDMN
CNS(=O)(=O)c1ccc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cn1	ZINC000770457266	1202099791	/nfs/dbraw/zinc/09/97/91/1202099791.db2.gz	IVTPUPKQJWMKDT-NSHDSACASA-N	0	1	394.434	0.788	20	30		GCEDMN
CNS(=O)(=O)c1ccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cn1	ZINC000770457266	1202099793	/nfs/dbraw/zinc/09/97/93/1202099793.db2.gz	IVTPUPKQJWMKDT-NSHDSACASA-N	0	1	394.434	0.788	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc(C(=O)NC)c1)c1ccn[nH]1	ZINC000770822641	1202114752	/nfs/dbraw/zinc/11/47/52/1202114752.db2.gz	CNQMHPQLLSYWRC-UHFFFAOYSA-N	0	1	387.396	0.370	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1cn2c(n1)CCCC2)c1ccn[nH]1	ZINC000770822556	1202114788	/nfs/dbraw/zinc/11/47/88/1202114788.db2.gz	BSRNAJSXTKNAJQ-UHFFFAOYSA-N	0	1	388.428	0.585	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-n2cnnn2)c(C)c1)c1ccn[nH]1	ZINC000770824713	1202115070	/nfs/dbraw/zinc/11/50/70/1202115070.db2.gz	QIXHQBVCNDINPT-UHFFFAOYSA-N	0	1	398.383	0.616	20	30		GCEDMN
CCCC(=O)NC1CCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1	ZINC000770834950	1202116633	/nfs/dbraw/zinc/11/66/33/1202116633.db2.gz	QISYVEWCQLIQPG-UHFFFAOYSA-N	0	1	393.444	0.601	20	30		GCEDMN
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1	ZINC001109760673	1202118658	/nfs/dbraw/zinc/11/86/58/1202118658.db2.gz	MBUBLOZAEASQJI-IEAZIUSSSA-N	0	1	376.482	0.717	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O	ZINC001109826574	1202130215	/nfs/dbraw/zinc/13/02/15/1202130215.db2.gz	OFXRUILYJJWYPN-BCYZHJNNSA-N	0	1	379.501	0.842	20	30		GCEDMN
O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn[n-]1)C2)NCC#Cc1ccccc1	ZINC001109861159	1202138419	/nfs/dbraw/zinc/13/84/19/1202138419.db2.gz	ADVOYBRJXNEZRH-IKGGRYGDSA-N	0	1	378.436	0.308	20	30		GCEDMN
O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn[n-]1)C2)NCC#Cc1ccccc1	ZINC001109861159	1202138420	/nfs/dbraw/zinc/13/84/20/1202138420.db2.gz	ADVOYBRJXNEZRH-IKGGRYGDSA-N	0	1	378.436	0.308	20	30		GCEDMN
O=C(CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn[nH]1)C2)NCC#Cc1ccccc1	ZINC001109861159	1202138421	/nfs/dbraw/zinc/13/84/21/1202138421.db2.gz	ADVOYBRJXNEZRH-IKGGRYGDSA-N	0	1	378.436	0.308	20	30		GCEDMN
Cc1ccc2[nH]cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2c1	ZINC000771889464	1202166305	/nfs/dbraw/zinc/16/63/05/1202166305.db2.gz	JNBHZBXUEJDJOY-UHFFFAOYSA-N	0	1	375.410	0.186	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cc3cc(F)ccc3o2)c(=O)n(C)c1=O	ZINC000771890018	1202168047	/nfs/dbraw/zinc/16/80/47/1202168047.db2.gz	DGOTUPIVKOYNGO-UHFFFAOYSA-N	0	1	380.357	0.282	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@@H]2c2ccccc2)c(=O)n(C)c1=O	ZINC000771896623	1202168535	/nfs/dbraw/zinc/16/85/35/1202168535.db2.gz	DTVVGIWJYCXXDK-CYBMUJFWSA-N	0	1	376.438	0.686	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O	ZINC000771897932	1202169009	/nfs/dbraw/zinc/16/90/09/1202169009.db2.gz	KEZUMZLLZNAUFG-UHFFFAOYSA-N	0	1	390.343	0.415	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cccc(-c3cccnc3)c2)c(=O)n(C)c1=O	ZINC000771898302	1202169060	/nfs/dbraw/zinc/16/90/60/1202169060.db2.gz	WLWZBAGRMLNVPS-UHFFFAOYSA-N	0	1	399.432	0.458	20	30		GCEDMN
C#CCN1CCC(C(=O)OCc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)CC1	ZINC000772112794	1202174790	/nfs/dbraw/zinc/17/47/90/1202174790.db2.gz	FXRIMYBMSJJIBU-UHFFFAOYSA-N	0	1	386.408	1.000	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)NCc2ccc(OCC(N)=O)cc2)CC1	ZINC000772112859	1202174846	/nfs/dbraw/zinc/17/48/46/1202174846.db2.gz	BEHWFPNOMATMHZ-UHFFFAOYSA-N	0	1	387.436	0.055	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772109636	1202174916	/nfs/dbraw/zinc/17/49/16/1202174916.db2.gz	MJHMUBUOUBUJPO-APWZRJJASA-N	0	1	398.525	0.593	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)CC1	ZINC000772109767	1202174922	/nfs/dbraw/zinc/17/49/22/1202174922.db2.gz	JTRDXMNBLUNCMS-DLBZAZTESA-N	0	1	377.485	0.623	20	30		GCEDMN
N#CC(C(=O)CC1CCC2(CC1)OCCO2)C(=O)N1CCS(=O)(=O)CC1	ZINC000788359560	1205420766	/nfs/dbraw/zinc/42/07/66/1205420766.db2.gz	QQXMKGQLVGVNFH-CQSZACIVSA-N	0	1	384.454	0.276	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCN(c2nccs2)CC1)c1cc[nH]n1	ZINC000789947033	1205453025	/nfs/dbraw/zinc/45/30/25/1205453025.db2.gz	VYOZLSOKNMHWEJ-UHFFFAOYSA-N	0	1	392.441	0.499	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(O)c(OC)c1)c1ccn[nH]1	ZINC000789997111	1205454046	/nfs/dbraw/zinc/45/40/46/1205454046.db2.gz	YXBHVWBMTDLWAC-UHFFFAOYSA-N	0	1	376.369	0.724	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCS[C@@H]2COCC[C@H]21)c1cc[nH]n1	ZINC000789994789	1205454061	/nfs/dbraw/zinc/45/40/61/1205454061.db2.gz	COMQKCBDHOSWHB-CHWSQXEVSA-N	0	1	382.442	0.426	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1	ZINC001129854879	1205521136	/nfs/dbraw/zinc/52/11/36/1205521136.db2.gz	BOQOQCGTOUMXLP-NCOADZHNSA-N	0	1	390.488	0.127	20	30		GCEDMN
O=C(N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2	ZINC001129858021	1205521219	/nfs/dbraw/zinc/52/12/19/1205521219.db2.gz	LAIDRKBRVPEKHH-JTJHWIPRSA-N	0	1	377.448	0.708	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1	ZINC001129940933	1205525102	/nfs/dbraw/zinc/52/51/02/1205525102.db2.gz	AXROOGWQWLMNSB-AVEIZBFRSA-N	0	1	386.500	0.748	20	30		GCEDMN
CC(C)[C@@H]1CCO[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1	ZINC001130212901	1205536734	/nfs/dbraw/zinc/53/67/34/1205536734.db2.gz	JYXUHNHRKOXCCG-YXWQFLTLSA-N	0	1	376.461	0.468	20	30		GCEDMN
CC(C)[C@@H]1CCO[C@@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1	ZINC001130212901	1205536736	/nfs/dbraw/zinc/53/67/36/1205536736.db2.gz	JYXUHNHRKOXCCG-YXWQFLTLSA-N	0	1	376.461	0.468	20	30		GCEDMN
CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1	ZINC001130212764	1205536815	/nfs/dbraw/zinc/53/68/15/1205536815.db2.gz	BXSWEDCFKXHRSI-JKQORVJESA-N	0	1	390.488	0.858	20	30		GCEDMN
CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1	ZINC001130212764	1205536816	/nfs/dbraw/zinc/53/68/16/1205536816.db2.gz	BXSWEDCFKXHRSI-JKQORVJESA-N	0	1	390.488	0.858	20	30		GCEDMN
COCC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001130301881	1205541874	/nfs/dbraw/zinc/54/18/74/1205541874.db2.gz	IVRHTJGMPVUYFL-BEKAIBRUSA-N	0	1	391.512	0.537	20	30		GCEDMN
COCC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001130302426	1205541880	/nfs/dbraw/zinc/54/18/80/1205541880.db2.gz	ZHXHRAKKEUGEPJ-UIXUWTQFSA-N	0	1	391.512	0.679	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n[nH]1	ZINC000805852295	1205545193	/nfs/dbraw/zinc/54/51/93/1205545193.db2.gz	ZTZSOTMPVKYWLY-UHFFFAOYSA-N	0	1	384.415	0.948	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1	ZINC001130630324	1205557103	/nfs/dbraw/zinc/55/71/03/1205557103.db2.gz	LRHSKGAURRAPCQ-HROONELDSA-N	0	1	386.496	0.769	20	30		GCEDMN
Cn1nccc1[C@@H]1C[C@H]1C(=O)NCc1n[nH]c([C@H]2CC[C@@H](CNCC#N)O2)n1	ZINC001130794500	1205570235	/nfs/dbraw/zinc/57/02/35/1205570235.db2.gz	WMAOQJAWVXILAH-KYEXWDHISA-N	0	1	384.444	0.291	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)N(C)C)C1	ZINC001130991354	1205584968	/nfs/dbraw/zinc/58/49/68/1205584968.db2.gz	FLLPJSDUMPULAV-KONPQCLYSA-N	0	1	389.500	0.374	20	30		GCEDMN
CN(CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1)Cc1ccc(F)cc1	ZINC000807809024	1205590356	/nfs/dbraw/zinc/59/03/56/1205590356.db2.gz	HAZCAGKKTWJDET-UHFFFAOYSA-N	0	1	398.442	0.869	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NC2CC2)C1	ZINC001131072341	1205591622	/nfs/dbraw/zinc/59/16/22/1205591622.db2.gz	TYSIEVLPDYTUJR-KONPQCLYSA-N	0	1	387.484	0.174	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NC)C1	ZINC001131086663	1205594122	/nfs/dbraw/zinc/59/41/22/1205594122.db2.gz	YSLMMWYZFPXRAN-BORJPKMPSA-N	0	1	375.473	0.031	20	30		GCEDMN
CCSCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000807978945	1205595561	/nfs/dbraw/zinc/59/55/61/1205595561.db2.gz	JCJGEDSRVHXYIL-UHFFFAOYSA-N	0	1	396.494	0.520	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2	ZINC001110103189	1205628282	/nfs/dbraw/zinc/62/82/82/1205628282.db2.gz	IYLGMYVNUMJZPQ-FZKCQIBNSA-N	0	1	377.489	0.204	20	30		GCEDMN
N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CCN1C1CC1	ZINC000810391536	1205636655	/nfs/dbraw/zinc/63/66/55/1205636655.db2.gz	GQBRRIDSFHQDMZ-GFCCVEGCSA-N	0	1	384.408	0.442	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1	ZINC000747818633	1205668432	/nfs/dbraw/zinc/66/84/32/1205668432.db2.gz	XKVXJTOFDNAYRZ-RDJZCZTQSA-N	0	1	377.485	0.638	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)CC1	ZINC000747818191	1205668466	/nfs/dbraw/zinc/66/84/66/1205668466.db2.gz	INKOFXGEXULYPI-UHFFFAOYSA-N	0	1	388.537	0.854	20	30		GCEDMN
C#CCN1CCN(C(=O)CN(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1	ZINC000812835660	1205669334	/nfs/dbraw/zinc/66/93/34/1205669334.db2.gz	UBGHOSJBKNGPSE-QGZVFWFLSA-N	0	1	378.517	0.999	20	30		GCEDMN
N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cc4ccn[nH]4)C3)OCC2=O)cc1	ZINC001175723577	1205740628	/nfs/dbraw/zinc/74/06/28/1205740628.db2.gz	RQLLJQHQTDQMGM-FQEVSTJZSA-N	0	1	395.419	0.485	20	30		GCEDMN
C#CCN1CCN(C(=O)CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)CC1	ZINC001175975387	1205742970	/nfs/dbraw/zinc/74/29/70/1205742970.db2.gz	YQNSACMVWCGWSU-LAUBAEHRSA-N	0	1	390.528	0.953	20	30		GCEDMN
COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CC(=O)NCC#N)C2	ZINC001176121647	1205744343	/nfs/dbraw/zinc/74/43/43/1205744343.db2.gz	IWMHZMAEKHHTKY-FHSNZYRGSA-N	0	1	380.445	0.404	20	30		GCEDMN
N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)Cc4nn[nH]n4)C3)C2)n1	ZINC001176840235	1205755966	/nfs/dbraw/zinc/75/59/66/1205755966.db2.gz	MDZGGRDBGWQMGD-SFHVURJKSA-N	0	1	382.428	0.154	20	30		GCEDMN
COCCOc1cc(C#N)c(NC(=O)Cc2nn[nH]n2)cc1OCCOC	ZINC001176844407	1205756328	/nfs/dbraw/zinc/75/63/28/1205756328.db2.gz	BGSINSXUKKYJII-UHFFFAOYSA-N	0	1	376.373	0.303	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1ccc(OC)c(O)c1)c1ccn[nH]1	ZINC001176963715	1205759068	/nfs/dbraw/zinc/75/90/68/1205759068.db2.gz	LULOHKLSDXVMIY-UHFFFAOYSA-N	0	1	390.396	0.767	20	30		GCEDMN
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CCC#N)CC1	ZINC001177085256	1205761899	/nfs/dbraw/zinc/76/18/99/1205761899.db2.gz	WTSUPIRIIXXWKH-OAHLLOKOSA-N	0	1	376.461	0.903	20	30		GCEDMN
N#Cc1c(N)nc(=NC2CC2)n(C(=O)C2CCN(Cc3ccccn3)CC2)c1N	ZINC001177207583	1205763165	/nfs/dbraw/zinc/76/31/65/1205763165.db2.gz	QIJREUZIAYKGFH-UHFFFAOYSA-N	0	1	392.467	0.930	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1C[C@@H](OCC)[C@H]2OCCC[C@H]21)c1cc[nH]n1	ZINC001177258634	1205764034	/nfs/dbraw/zinc/76/40/34/1205764034.db2.gz	NBEZNVUFNNWFGV-KMJGWDDASA-N	0	1	394.428	0.488	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)Nc1[nH]cnc1C(=O)OCC)c1cc[nH]n1	ZINC001177256891	1205764916	/nfs/dbraw/zinc/76/49/16/1205764916.db2.gz	AYDVUKNYXVZPDI-NHDPSOOVSA-N	0	1	378.345	0.232	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnccc1C(=O)OCC)c1ccn[nH]1	ZINC001177257272	1205764939	/nfs/dbraw/zinc/76/49/39/1205764939.db2.gz	KWOAVBPFTULVJE-JCMHNJIXSA-N	0	1	389.368	0.904	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCN(C2CCOCC2)CC1)c1ccn[nH]1	ZINC001177258171	1205765010	/nfs/dbraw/zinc/76/50/10/1205765010.db2.gz	BBFIAILLSWTBDR-FXBPSFAMSA-N	0	1	393.444	0.017	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccnc1OC1COC1)c1ccn[nH]1	ZINC001177257743	1205765057	/nfs/dbraw/zinc/76/50/57/1205765057.db2.gz	XYXAAPRXSZCEOB-JCMHNJIXSA-N	0	1	389.368	0.505	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C)C1)c1cc[nH]n1	ZINC001177262790	1205765135	/nfs/dbraw/zinc/76/51/35/1205765135.db2.gz	GPDZUENTYPIUGK-MZWHQWMDSA-N	0	1	391.428	0.163	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1cn2ccccc2n1)c1ccn[nH]1	ZINC001177263778	1205765464	/nfs/dbraw/zinc/76/54/64/1205765464.db2.gz	DJSWSPMWTFIOJC-QJOMJCCJSA-N	0	1	384.396	0.700	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1)c1cc[nH]n1	ZINC001177263138	1205765551	/nfs/dbraw/zinc/76/55/51/1205765551.db2.gz	MJWGNYWIZFMARK-PGNKNYKJSA-N	0	1	393.444	0.014	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC(C)(C)CC(=O)N1CCCC1)c1ccn[nH]1	ZINC001177263746	1205765606	/nfs/dbraw/zinc/76/56/06/1205765606.db2.gz	CJOFYYSAEXTCDX-JWGURIENSA-N	0	1	393.444	0.601	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCC(=O)Nc1nccs1)c1ccn[nH]1	ZINC001177263726	1205765630	/nfs/dbraw/zinc/76/56/30/1205765630.db2.gz	BTFQBRZOJUCIST-BKUYFWCQSA-N	0	1	394.413	0.295	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC12CCC(C(=O)OC)(CC1)C2)c1ccn[nH]1	ZINC001177265843	1205765800	/nfs/dbraw/zinc/76/58/00/1205765800.db2.gz	CKTZQXSCLXQVCT-HMAPJEAMSA-N	0	1	392.412	0.686	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CCSC)C(=O)OC)c1ccn[nH]1	ZINC001177264065	1205765840	/nfs/dbraw/zinc/76/58/40/1205765840.db2.gz	QBGHZBWMWNIVNF-UQGHUHRHSA-N	0	1	386.430	0.104	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc2nnc(CC)n2c1)c1ccn[nH]1	ZINC001177266728	1205766091	/nfs/dbraw/zinc/76/60/91/1205766091.db2.gz	NZXLCDRWZLWSSK-ULJHMMPZSA-N	0	1	399.411	0.615	20	30		GCEDMN
CO/N=C(\C(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1)c1ccco1	ZINC001177351156	1205768203	/nfs/dbraw/zinc/76/82/03/1205768203.db2.gz	QWASSMPTUXXGRA-UZYVYHOESA-N	0	1	386.456	0.616	20	30		GCEDMN
CO/N=C(\C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1)c1ccco1	ZINC001177355082	1205768383	/nfs/dbraw/zinc/76/83/83/1205768383.db2.gz	DNSKMDHEDBLMLN-SILNSSARSA-N	0	1	392.437	0.576	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001177918406	1205779420	/nfs/dbraw/zinc/77/94/20/1205779420.db2.gz	XKIFTVRHBDLDIB-HOCLYGCPSA-N	0	1	384.461	0.759	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2ncccn2)C1)c1cc[nH]n1	ZINC001178048749	1205781081	/nfs/dbraw/zinc/78/10/81/1205781081.db2.gz	XGVTYGXJYNSVOC-CYBMUJFWSA-N	0	1	386.412	0.890	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCOC12CCOCC2)c1ccn[nH]1	ZINC001180230279	1205819259	/nfs/dbraw/zinc/81/92/59/1205819259.db2.gz	DJUSDMCUKBRTED-ZDUSSCGKSA-N	0	1	380.401	0.148	20	30		GCEDMN
COc1ccc(C#CC(=O)N2Cc3n[nH]c(C(=O)N4CCOCC4)c3C2)cc1	ZINC001182047137	1205853920	/nfs/dbraw/zinc/85/39/20/1205853920.db2.gz	YUKDTRNIZGFSPB-UHFFFAOYSA-N	0	1	380.404	0.785	20	30		GCEDMN
C=CCSCC(=O)N1C[C@@H]2OCCN(C(=O)[C@H]3CC4CCN3CC4)[C@H]2C1	ZINC001273475062	1205868713	/nfs/dbraw/zinc/86/87/13/1205868713.db2.gz	VFEAPHGIDPLQKK-IKGGRYGDSA-N	0	1	379.526	0.828	20	30		GCEDMN
CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1cnc[nH]1	ZINC001182977907	1205885333	/nfs/dbraw/zinc/88/53/33/1205885333.db2.gz	ZCWYLDGOFAOEJZ-PMPSAXMXSA-N	0	1	393.488	0.487	20	30		GCEDMN
C=C(CC(=O)OCCCC)C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O	ZINC001184308196	1205907682	/nfs/dbraw/zinc/90/76/82/1205907682.db2.gz	GYEGATIGPQHGGB-UHFFFAOYSA-N	0	1	399.469	0.898	20	30		GCEDMN
COC(=O)[C@H](CS)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184361600	1205908270	/nfs/dbraw/zinc/90/82/70/1205908270.db2.gz	JPVSJZGMJWLJSQ-ZDUSSCGKSA-N	0	1	394.449	0.826	20	30		GCEDMN
N#Cc1cccc(N2CC(=C([O-])NC(=[NH2+])c3ccc(C(N)=O)cc3)OC2=O)c1	ZINC001184379455	1205908696	/nfs/dbraw/zinc/90/86/96/1205908696.db2.gz	JLKOBRKUEMUQPA-OAHLLOKOSA-N	0	1	377.360	0.914	20	30		GCEDMN
N#Cc1cccc(N2CC(=C([O-])NC(=[NH2+])c3ccc(C(N)=O)cc3)OC2=O)c1	ZINC001184379452	1205908708	/nfs/dbraw/zinc/90/87/08/1205908708.db2.gz	JLKOBRKUEMUQPA-HNNXBMFYSA-N	0	1	377.360	0.914	20	30		GCEDMN
CN(C)[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccs1	ZINC000774853964	1205920424	/nfs/dbraw/zinc/92/04/24/1205920424.db2.gz	IJRYJEVXGIQGNX-AWEZNQCLSA-N	0	1	386.481	0.962	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000774953878	1205932038	/nfs/dbraw/zinc/93/20/38/1205932038.db2.gz	CIENQDCIDDESAB-PMACEKPBSA-N	0	1	398.507	0.217	20	30		GCEDMN
CCN1CCN(c2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2F)CC1	ZINC001187405717	1205962385	/nfs/dbraw/zinc/96/23/85/1205962385.db2.gz	QQSSOLLWEOLBGS-UHFFFAOYSA-N	0	1	386.431	0.980	20	30		GCEDMN
N#CC1(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)CCN(Cc2ccccc2)CC1	ZINC001187525613	1205964694	/nfs/dbraw/zinc/96/46/94/1205964694.db2.gz	DRWJAFVONOTUNY-INIZCTEOSA-N	0	1	383.452	0.056	20	30		GCEDMN
N#CCc1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1	ZINC001188689444	1205989484	/nfs/dbraw/zinc/98/94/84/1205989484.db2.gz	SWUCBMIZQFZSEG-IRXDYDNUSA-N	0	1	394.435	0.293	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000775188754	1205989529	/nfs/dbraw/zinc/98/95/29/1205989529.db2.gz	DDWIQEVYRWTPMT-MRXNPFEDSA-N	0	1	392.525	0.365	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1	ZINC001188742507	1205990931	/nfs/dbraw/zinc/99/09/31/1205990931.db2.gz	BWMFYPRKWBUMQK-IRXDYDNUSA-N	0	1	379.420	0.208	20	30		GCEDMN
C#C[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)[C@@H]1CCCO1	ZINC000775328730	1206018458	/nfs/dbraw/zinc/01/84/58/1206018458.db2.gz	JOOYKTGSPKYEOK-SJORKVTESA-N	0	1	383.404	0.792	20	30		GCEDMN
CN1CCN(Cc2cn3c(n2)CN(c2ncc4c(C#N)c[nH]c4n2)CC3)CC1	ZINC001164797759	721517378	/nfs/dbraw/zinc/51/73/78/721517378.db2.gz	MMAZSRIGCDPSRV-UHFFFAOYSA-N	0	1	377.456	0.794	20	30		GCEDMN
COC(=O)c1cc(C#N)cnc1N1CCn2cc(CN3CCN(C)CC3)nc2C1	ZINC001164795902	721521503	/nfs/dbraw/zinc/52/15/03/721521503.db2.gz	UQJSYVSRGVFZMD-UHFFFAOYSA-N	0	1	395.467	0.704	20	30		GCEDMN
CCNS(=O)(=O)c1cccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1	ZINC001571257985	945344132	/nfs/dbraw/zinc/34/41/32/945344132.db2.gz	KTWWQJWJKHJWJQ-UHFFFAOYSA-N	0	1	385.413	0.439	20	30		GCEDMN
N#Cc1ccccc1CNC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1	ZINC001571309653	946450221	/nfs/dbraw/zinc/45/02/21/946450221.db2.gz	GWMHIIXARDDAMP-OAHLLOKOSA-N	0	1	392.423	0.697	20	30		GCEDMN
C#CCN(C(=O)c1ccccn1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573282197	946686245	/nfs/dbraw/zinc/68/62/45/946686245.db2.gz	GNAFSSWPFNOMKV-UHFFFAOYSA-N	0	1	389.423	0.796	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573282465	946693643	/nfs/dbraw/zinc/69/36/43/946693643.db2.gz	JFTBFZDOMLTUDZ-OLZOCXBDSA-N	0	1	383.460	0.307	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573284949	946761667	/nfs/dbraw/zinc/76/16/67/946761667.db2.gz	AWQWYBDPSKQBPH-STQMWFEESA-N	0	1	386.431	0.981	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1	ZINC001573284946	946763034	/nfs/dbraw/zinc/76/30/34/946763034.db2.gz	AWQWYBDPSKQBPH-OLZOCXBDSA-N	0	1	386.431	0.981	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21	ZINC001573286112	946793874	/nfs/dbraw/zinc/79/38/74/946793874.db2.gz	UHWBNVBKQZLVJU-ZTFGCOKTSA-N	0	1	380.452	0.938	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)cc1	ZINC001573286796	946820568	/nfs/dbraw/zinc/82/05/68/946820568.db2.gz	BFGWXQCZEXNKQP-OAHLLOKOSA-N	0	1	390.407	0.273	20	30		GCEDMN
C#CCOCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1	ZINC001573288339	946865106	/nfs/dbraw/zinc/86/51/06/946865106.db2.gz	UNCPQGLHNJJGLW-UONOGXRCSA-N	0	1	384.444	0.015	20	30		GCEDMN
C#CCOCCC(=O)N(C)[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1	ZINC001573288330	946865671	/nfs/dbraw/zinc/86/56/71/946865671.db2.gz	UMGUJBPFKJHAMS-QGZVFWFLSA-N	0	1	383.456	0.681	20	30		GCEDMN
C#CCOc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1	ZINC001573290312	946903197	/nfs/dbraw/zinc/90/31/97/946903197.db2.gz	WGTZQYLATZOUKD-AWEZNQCLSA-N	0	1	390.407	0.417	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nc1	ZINC001573290455	946905531	/nfs/dbraw/zinc/90/55/31/946905531.db2.gz	JXYWQAKKTXIAQY-SHTZXODSSA-N	0	1	388.435	0.989	20	30		GCEDMN
C#Cc1ccccc1CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1	ZINC001573290774	946909773	/nfs/dbraw/zinc/90/97/73/946909773.db2.gz	PCXOBMPLKOFJKH-UHFFFAOYSA-N	0	1	388.435	0.753	20	30		GCEDMN
C=C(C)[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)OCC	ZINC001573292840	946941055	/nfs/dbraw/zinc/94/10/55/946941055.db2.gz	DUHJQLSKYBXPJX-AWEZNQCLSA-N	0	1	386.460	0.853	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566278	947022009	/nfs/dbraw/zinc/02/20/09/947022009.db2.gz	AJBFELLCKFAVSF-SGTLLEGYSA-N	0	1	387.419	0.609	20	30		GCEDMN
C=C1CC(C)(C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)C1	ZINC001573296939	947057445	/nfs/dbraw/zinc/05/74/45/947057445.db2.gz	BVAIBBFIYDVORF-LJQANCHMSA-N	0	1	383.456	0.984	20	30		GCEDMN
C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573298347	947074394	/nfs/dbraw/zinc/07/43/94/947074394.db2.gz	OSPUVGXRJMYBIR-OLZOCXBDSA-N	0	1	384.444	0.463	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573578162	947182373	/nfs/dbraw/zinc/18/23/73/947182373.db2.gz	ZFQQEQPHHXSBAE-CPFSXVBKSA-N	0	1	382.837	0.194	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1	ZINC001573582922	947197592	/nfs/dbraw/zinc/19/75/92/947197592.db2.gz	HWTVGHNSNBZNTP-WFASDCNBSA-N	0	1	389.423	0.864	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1	ZINC001573582910	947198979	/nfs/dbraw/zinc/19/89/79/947198979.db2.gz	HWTVGHNSNBZNTP-DOMZBBRYSA-N	0	1	389.423	0.864	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCCN1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1	ZINC001573583756	947207477	/nfs/dbraw/zinc/20/74/77/947207477.db2.gz	OJQIETCEBGSNDI-NSHDSACASA-N	0	1	387.423	0.553	20	30		GCEDMN
C=CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O	ZINC001573328000	947401464	/nfs/dbraw/zinc/40/14/64/947401464.db2.gz	PMBWMTMKPJKHQV-DTWKUNHWSA-N	0	1	383.865	0.999	20	30		GCEDMN
C=CCOCC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573343068	947551889	/nfs/dbraw/zinc/55/18/89/947551889.db2.gz	IYRIYLBQTFSNSV-SFHVURJKSA-N	0	1	390.419	0.261	20	30		GCEDMN
C=CCn1cc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1	ZINC001573347285	947571181	/nfs/dbraw/zinc/57/11/81/947571181.db2.gz	BKTBTXZYXUHJSP-LBPRGKRZSA-N	0	1	380.416	0.178	20	30		GCEDMN
C=CCOCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573348996	947588737	/nfs/dbraw/zinc/58/87/37/947588737.db2.gz	XSKLWFGWVMVAKK-ZIAGYGMSSA-N	0	1	386.460	0.710	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573350245	947592875	/nfs/dbraw/zinc/59/28/75/947592875.db2.gz	ALUYIGSMJBGUFE-MJBXVCDLSA-N	0	1	384.444	0.533	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1	ZINC001573351067	947607781	/nfs/dbraw/zinc/60/77/81/947607781.db2.gz	JIHHUVSLBISYKX-KGLIPLIRSA-N	0	1	384.444	0.723	20	30		GCEDMN
CC#CCCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1	ZINC001573357929	947655015	/nfs/dbraw/zinc/65/50/15/947655015.db2.gz	COLDFNUXZJAYNC-SFHVURJKSA-N	0	1	384.444	0.562	20	30		GCEDMN
C[C@@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)n1cnc(-c2nn[nH]n2)n1	ZINC001573622659	947683454	/nfs/dbraw/zinc/68/34/54/947683454.db2.gz	CCIDWIFRSVWTGL-LBPRGKRZSA-N	0	1	392.427	0.994	20	30		GCEDMN
C[C@@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573643106	947862778	/nfs/dbraw/zinc/86/27/78/947862778.db2.gz	UEMMXSMKDGCUQX-SMDDNHRTSA-N	0	1	379.384	0.491	20	30		GCEDMN
C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575886592	949889681	/nfs/dbraw/zinc/88/96/81/949889681.db2.gz	MYPYRQYKSCLMMF-ZYHUDNBSSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576192777	950265637	/nfs/dbraw/zinc/26/56/37/950265637.db2.gz	QYGHLTVMYFMZKR-NWDGAFQWSA-N	0	1	392.427	0.489	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573851958	950296427	/nfs/dbraw/zinc/29/64/27/950296427.db2.gz	AUQNZXPQUNJZCZ-KOLCDFICSA-N	0	1	382.388	0.699	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573851959	950297265	/nfs/dbraw/zinc/29/72/65/950297265.db2.gz	AUQNZXPQUNJZCZ-MWLCHTKSSA-N	0	1	382.388	0.699	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573856512	950390715	/nfs/dbraw/zinc/39/07/15/950390715.db2.gz	BFMWILNCVYNFIO-GXSJLCMTSA-N	0	1	387.404	0.168	20	30		GCEDMN
C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1	ZINC001575142756	952148529	/nfs/dbraw/zinc/14/85/29/952148529.db2.gz	LJAROFPYIWBBFM-KRWDZBQOSA-N	0	1	378.400	0.289	20	30		GCEDMN
C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001571124581	952541401	/nfs/dbraw/zinc/54/14/01/952541401.db2.gz	NQXZLGWYOCYQQP-WCQYABFASA-N	0	1	377.412	0.704	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnc1-c1nnn[n-]1	ZINC001571128174	952564579	/nfs/dbraw/zinc/56/45/79/952564579.db2.gz	PSZLMUHQRVRERQ-CQSZACIVSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cnc1-c1nnn[n-]1	ZINC001571128174	952564584	/nfs/dbraw/zinc/56/45/84/952564584.db2.gz	PSZLMUHQRVRERQ-CQSZACIVSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnc1-c1nn[n-]n1	ZINC001571128174	952564588	/nfs/dbraw/zinc/56/45/88/952564588.db2.gz	PSZLMUHQRVRERQ-CQSZACIVSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cnc1-c1nn[n-]n1	ZINC001571128174	952564593	/nfs/dbraw/zinc/56/45/93/952564593.db2.gz	PSZLMUHQRVRERQ-CQSZACIVSA-N	0	1	377.412	0.707	20	30		GCEDMN
C[N@@H+](CCC(=O)[O-])CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000818457256	955400217	/nfs/dbraw/zinc/40/02/17/955400217.db2.gz	BBJLTRMDPYPSAX-UHFFFAOYSA-N	0	1	387.396	0.861	20	30		GCEDMN
N#Cc1ccc(CNC(=O)C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1	ZINC001594620572	956277298	/nfs/dbraw/zinc/27/72/98/956277298.db2.gz	MPTSHLGQNOYORB-INIZCTEOSA-N	0	1	384.436	0.572	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](C[C@H](O)COc1ccccc1C#N)C[C@@H]2C(=O)[O-]	ZINC001604289923	972886942	/nfs/dbraw/zinc/88/69/42/972886942.db2.gz	AQHBLRWESIJMIZ-QNBXZPKWSA-N	0	1	388.420	0.884	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)CC2)o1	ZINC001605398207	973380526	/nfs/dbraw/zinc/38/05/26/973380526.db2.gz	DSDOKQVQAQNJED-TZMCWYRMSA-N	0	1	375.429	0.546	20	30		GCEDMN
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)CC2)cc1	ZINC001605601818	973907230	/nfs/dbraw/zinc/90/72/30/973907230.db2.gz	FHWOKSSHCYXQQU-GOSISDBHSA-N	0	1	398.463	0.916	20	30		GCEDMN
CC[C@@](COC)([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)[O-]	ZINC001595194453	979900274	/nfs/dbraw/zinc/90/02/74/979900274.db2.gz	GAHBPXSQUMUKMQ-KSSFIOAISA-N	0	1	394.497	0.926	20	30		GCEDMN
C=CCOC[C@@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)C(=O)[O-]	ZINC001588859970	984409739	/nfs/dbraw/zinc/40/97/39/984409739.db2.gz	DDPVQFRUSJFGSB-MRXNPFEDSA-N	0	1	399.451	0.949	20	30		GCEDMN
C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588909819	984546077	/nfs/dbraw/zinc/54/60/77/984546077.db2.gz	AZBBHLGMEHOWFW-RDBSUJKOSA-N	0	1	377.445	0.583	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC001598767803	995852451	/nfs/dbraw/zinc/85/24/51/995852451.db2.gz	YRFWJIIQOYVAKT-VQHPVUNQSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC001598767803	995852458	/nfs/dbraw/zinc/85/24/58/995852458.db2.gz	YRFWJIIQOYVAKT-VQHPVUNQSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC001598781080	995985629	/nfs/dbraw/zinc/98/56/29/995985629.db2.gz	WCAVKPGOZGEKLU-VYDXJSESSA-N	0	1	376.409	0.831	20	30		GCEDMN
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O	ZINC001594072687	997923449	/nfs/dbraw/zinc/92/34/49/997923449.db2.gz	BXXWUQMDKWMWNV-CWFSZBLJSA-N	0	1	398.419	0.706	20	30		GCEDMN
CN(C)CCN(CCOCCO)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000475803383	530113969	/nfs/dbraw/zinc/11/39/69/530113969.db2.gz	JUIYXPIEPWCODH-UHFFFAOYSA-N	0	1	375.878	0.773	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000409520866	530229600	/nfs/dbraw/zinc/22/96/00/530229600.db2.gz	TYWZKXIBZVZCBL-HOTGVXAUSA-N	0	1	376.523	0.572	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000409520868	530229655	/nfs/dbraw/zinc/22/96/55/530229655.db2.gz	TYWZKXIBZVZCBL-HZPDHXFCSA-N	0	1	376.523	0.572	20	30		GCEDMN
CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC000270475515	530260445	/nfs/dbraw/zinc/26/04/45/530260445.db2.gz	HHFPXLFCVFNAHP-NSHDSACASA-N	0	1	389.455	0.370	20	30		GCEDMN
Cc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)n[nH]1	ZINC000594624927	530431983	/nfs/dbraw/zinc/43/19/83/530431983.db2.gz	CZTHCIDQSXPCFG-NSHDSACASA-N	0	1	383.455	0.387	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572319498	530511746	/nfs/dbraw/zinc/51/17/46/530511746.db2.gz	XGNCNXCBJPFVSC-ZIAGYGMSSA-N	0	1	386.499	0.177	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1	ZINC000330411566	530519699	/nfs/dbraw/zinc/51/96/99/530519699.db2.gz	KNCIMTZOILWOSY-HUUCEWRRSA-N	0	1	376.523	0.271	20	30		GCEDMN
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000645883636	530550962	/nfs/dbraw/zinc/55/09/62/530550962.db2.gz	FNJMXPYRYJDLLX-GFCCVEGCSA-N	0	1	390.483	0.509	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)N2CCC(CS(N)(=O)=O)CC2)C[C@@H](C)O1	ZINC000331269945	530542262	/nfs/dbraw/zinc/54/22/62/530542262.db2.gz	AFJQQDHZAPMBEC-ZIAGYGMSSA-N	0	1	376.523	0.400	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)C[C@@H](C)C2)C1	ZINC000330335972	530644700	/nfs/dbraw/zinc/64/47/00/530644700.db2.gz	RZOXYHRGMCBDEC-JKSUJKDBSA-N	0	1	375.535	0.666	20	30		GCEDMN
CC[C@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1	ZINC000349474927	530646471	/nfs/dbraw/zinc/64/64/71/530646471.db2.gz	DONBEAQREOPTIY-AWEZNQCLSA-N	0	1	392.547	0.098	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349486617	530652893	/nfs/dbraw/zinc/65/28/93/530652893.db2.gz	AWOFPSNAEWGKTH-LLVKDONJSA-N	0	1	375.476	0.056	20	30		GCEDMN
Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)n1	ZINC000349626363	530723955	/nfs/dbraw/zinc/72/39/55/530723955.db2.gz	VQGGCXPZVRULPW-UHFFFAOYSA-N	0	1	375.476	0.117	20	30		GCEDMN
C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1	ZINC000581835008	530763563	/nfs/dbraw/zinc/76/35/63/530763563.db2.gz	JHJPQIHVOCIMGQ-LBPRGKRZSA-N	0	1	386.499	0.249	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1OC	ZINC000579978821	530749230	/nfs/dbraw/zinc/74/92/30/530749230.db2.gz	FWIYQIVVKKUYBO-UHFFFAOYSA-N	0	1	375.472	0.507	20	30		GCEDMN
N#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c1Br	ZINC000600070598	530821321	/nfs/dbraw/zinc/82/13/21/530821321.db2.gz	NIDKUVXUHOXXGP-LLVKDONJSA-N	0	1	381.230	0.442	20	30		GCEDMN
CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1c(C#N)cnn1C1CCCC1	ZINC000349579045	530895801	/nfs/dbraw/zinc/89/58/01/530895801.db2.gz	XUNIAILJSIQQON-UHFFFAOYSA-N	0	1	389.503	0.893	20	30		GCEDMN
Cn1cc(S(=O)(=O)Nc2ccc(C#N)c(Br)c2)c(=O)n(C)c1=O	ZINC000391897080	530920700	/nfs/dbraw/zinc/92/07/00/530920700.db2.gz	CGUHOHUUMJIARC-UHFFFAOYSA-N	0	1	399.226	0.519	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)c(C)cn1	ZINC000571938849	530983059	/nfs/dbraw/zinc/98/30/59/530983059.db2.gz	HCTYTXJZAVKOHL-UHFFFAOYSA-N	0	1	386.499	0.427	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)CC2)o1	ZINC000818985495	597077612	/nfs/dbraw/zinc/07/76/12/597077612.db2.gz	DXNCNHCYYFWJNM-AWEZNQCLSA-N	0	1	375.429	0.690	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])cc1	ZINC000819706342	598068064	/nfs/dbraw/zinc/06/80/64/598068064.db2.gz	YAYAVXLHFDPCEN-AWEZNQCLSA-N	0	1	380.422	0.304	20	30		GCEDMN
C=CCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1	ZINC000735409261	598358866	/nfs/dbraw/zinc/35/88/66/598358866.db2.gz	XCLNFBUEIHBBIP-UHFFFAOYSA-N	0	1	375.389	0.321	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1nc(-c2ccc3c(c2)OCO3)no1	ZINC000737706764	598363907	/nfs/dbraw/zinc/36/39/07/598363907.db2.gz	ZKJRTVQUFLHDJT-UHFFFAOYSA-N	0	1	378.312	0.344	20	30		GCEDMN
CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)CCCC#N	ZINC000736768212	598709454	/nfs/dbraw/zinc/70/94/54/598709454.db2.gz	AXEVVNWJRYZNRK-UHFFFAOYSA-N	0	1	377.474	0.864	20	30		GCEDMN
COC(=O)Cn1cc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[nH]n2)nn1	ZINC000821663594	607464991	/nfs/dbraw/zinc/46/49/91/607464991.db2.gz	FRXBHCVNIGTHRK-UHFFFAOYSA-N	0	1	388.392	0.654	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@@H]3CC(=O)[O-])CC2)o1	ZINC000832994462	601026068	/nfs/dbraw/zinc/02/60/68/601026068.db2.gz	LBAPUUFYKIOBJT-ZDUSSCGKSA-N	0	1	393.469	0.395	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC(=O)[O-])C3CCOCC3)CC2)o1	ZINC000832995174	601047610	/nfs/dbraw/zinc/04/76/10/601047610.db2.gz	TUOXLDOZEWDUDJ-UHFFFAOYSA-N	0	1	391.428	0.069	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC(=O)[O-])C3CCOCC3)CC2)o1	ZINC000832995174	601047613	/nfs/dbraw/zinc/04/76/13/601047613.db2.gz	TUOXLDOZEWDUDJ-UHFFFAOYSA-N	0	1	391.428	0.069	20	30		GCEDMN
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499688	601664482	/nfs/dbraw/zinc/66/44/82/601664482.db2.gz	FSHAPYQYRMTYJY-HOCLYGCPSA-N	0	1	397.435	0.997	20	30		GCEDMN
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499688	601664484	/nfs/dbraw/zinc/66/44/84/601664484.db2.gz	FSHAPYQYRMTYJY-HOCLYGCPSA-N	0	1	397.435	0.997	20	30		GCEDMN
C=CCN(CC(=O)OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000823904140	607599934	/nfs/dbraw/zinc/59/99/34/607599934.db2.gz	VVGKTOWZICBJRY-UHFFFAOYSA-N	0	1	396.385	0.515	20	30		GCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857879	606699086	/nfs/dbraw/zinc/69/90/86/606699086.db2.gz	WIJYKYOKAKCKGO-PIGZYNQJSA-N	0	1	388.480	0.479	20	30		GCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857879	606699087	/nfs/dbraw/zinc/69/90/87/606699087.db2.gz	WIJYKYOKAKCKGO-PIGZYNQJSA-N	0	1	388.480	0.479	20	30		GCEDMN
CN(C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N)c1nc2ccccc2s1	ZINC000825820812	609174009	/nfs/dbraw/zinc/17/40/09/609174009.db2.gz	UZCVLDHDNWFFJN-UHFFFAOYSA-N	0	1	380.397	0.790	20	30		GCEDMN
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC#CCN(C)C)c1	ZINC000913515391	639581380	/nfs/dbraw/zinc/58/13/80/639581380.db2.gz	VSUPQFPQOILXHT-UHFFFAOYSA-N	0	1	387.889	0.560	20	30		GCEDMN
CN(C)CC#CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000913515456	639581442	/nfs/dbraw/zinc/58/14/42/639581442.db2.gz	XXUKQHFORLJQNT-UHFFFAOYSA-N	0	1	377.388	0.665	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O	ZINC000753714578	640436664	/nfs/dbraw/zinc/43/66/64/640436664.db2.gz	NXYCBEYTMDUTMW-UHFFFAOYSA-N	0	1	391.236	0.703	20	30		GCEDMN
COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl	ZINC000771898498	640835927	/nfs/dbraw/zinc/83/59/27/640835927.db2.gz	YTMVZJINGODRSF-UHFFFAOYSA-N	0	1	386.817	0.058	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CSCc3ccccc32)c(=O)n(C)c1=O	ZINC000771898489	640835957	/nfs/dbraw/zinc/83/59/57/640835957.db2.gz	YQOXKXKYAVBSFQ-UHFFFAOYSA-N	0	1	380.451	0.013	20	30		GCEDMN
COC(=O)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cc(F)ccc1F	ZINC000800044201	641765248	/nfs/dbraw/zinc/76/52/48/641765248.db2.gz	WZOYPASGWRALOO-ZWNOBZJWSA-N	0	1	375.353	0.238	20	30		GCEDMN
COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cc(F)ccc1F	ZINC000800044199	641765265	/nfs/dbraw/zinc/76/52/65/641765265.db2.gz	WZOYPASGWRALOO-MFKMUULPSA-N	0	1	375.353	0.238	20	30		GCEDMN
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000815082340	641819887	/nfs/dbraw/zinc/81/98/87/641819887.db2.gz	LNESMYKMXYTAQX-UHFFFAOYSA-N	0	1	377.463	0.431	20	30		GCEDMN
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000815082340	641819894	/nfs/dbraw/zinc/81/98/94/641819894.db2.gz	LNESMYKMXYTAQX-UHFFFAOYSA-N	0	1	377.463	0.431	20	30		GCEDMN
N#C[C@]12CN(C(=O)C3CCN([C@H]4CCSC4)CC3)C[C@@H]1CS(=O)(=O)C2	ZINC000886208431	641837318	/nfs/dbraw/zinc/83/73/18/641837318.db2.gz	IMIOQDPNSIPSOV-HLLBOEOZSA-N	0	1	383.539	0.601	20	30		GCEDMN
C#CCN1CCC(NC(=O)Cc2ccc(S(=O)(=O)NCC=C)s2)CC1	ZINC000928660210	641950812	/nfs/dbraw/zinc/95/08/12/641950812.db2.gz	MBGVCLGMLKFFSU-UHFFFAOYSA-N	0	1	381.523	0.969	20	30		GCEDMN
C#CCN1CCC(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1	ZINC000931376378	641987284	/nfs/dbraw/zinc/98/72/84/641987284.db2.gz	MRFNTIBRBQJPIC-LBPRGKRZSA-N	0	1	384.424	0.206	20	30		GCEDMN
C#CCN1CCC(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1	ZINC000931376377	641987314	/nfs/dbraw/zinc/98/73/14/641987314.db2.gz	MRFNTIBRBQJPIC-GFCCVEGCSA-N	0	1	384.424	0.206	20	30		GCEDMN
C=CCS(=O)(=O)CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000823931837	642031905	/nfs/dbraw/zinc/03/19/05/642031905.db2.gz	HCXWWDYJENGCQY-UHFFFAOYSA-N	0	1	393.397	0.024	20	30		GCEDMN
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834500116	642213434	/nfs/dbraw/zinc/21/34/34/642213434.db2.gz	QJJOSDGTFMLKEU-HZMBPMFUSA-N	0	1	386.861	0.106	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1	ZINC000834500622	642213483	/nfs/dbraw/zinc/21/34/83/642213483.db2.gz	VHNJTBILWINUMQ-WCQYABFASA-N	0	1	386.271	0.592	20	30		GCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000834501078	642213496	/nfs/dbraw/zinc/21/34/96/642213496.db2.gz	ZHIFUUCZJRSMQL-JRKPZEMJSA-N	0	1	391.225	0.661	20	30		GCEDMN
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834504475	642214096	/nfs/dbraw/zinc/21/40/96/642214096.db2.gz	BTLKIRSTAFCBBK-QEJZJMRPSA-N	0	1	382.511	0.314	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000834511093	642214128	/nfs/dbraw/zinc/21/41/28/642214128.db2.gz	IJKZUURZGQURNK-PRHODGIISA-N	0	1	377.198	0.273	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000834517270	642214517	/nfs/dbraw/zinc/21/45/17/642214517.db2.gz	SZXJWZCFNLSKCX-IAQYHMDHSA-N	0	1	382.873	0.966	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CNC[C@@H]3C#N)C2)s1	ZINC000834516645	642214570	/nfs/dbraw/zinc/21/45/70/642214570.db2.gz	KHSZWPZKFJAKKZ-IHRRRGAJSA-N	0	1	382.511	0.685	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000834521951	642214613	/nfs/dbraw/zinc/21/46/13/642214613.db2.gz	ZWDHMQXFYIIKGS-ZANVPECISA-N	0	1	376.214	0.387	20	30		GCEDMN
C#CCC[C@H](O)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000843102167	642364177	/nfs/dbraw/zinc/36/41/77/642364177.db2.gz	VETHLAPZQFCGTR-AWEZNQCLSA-N	0	1	388.511	0.075	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848957513	642568003	/nfs/dbraw/zinc/56/80/03/642568003.db2.gz	MCPXXFGHNPVYDS-UHFFFAOYSA-N	0	1	380.879	0.547	20	30		GCEDMN
C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848959753	642578600	/nfs/dbraw/zinc/57/86/00/642578600.db2.gz	PIXRZLULQOOYTN-UHFFFAOYSA-N	0	1	380.879	0.547	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1c(C#N)cnn1CC	ZINC000848960853	642583482	/nfs/dbraw/zinc/58/34/82/642583482.db2.gz	KYCFXOUKWTYTOX-GFCCVEGCSA-N	0	1	387.487	0.190	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(C)ccc1OC	ZINC000848961137	642584677	/nfs/dbraw/zinc/58/46/77/642584677.db2.gz	QEJQWSKSUXFHEL-ZDUSSCGKSA-N	0	1	389.499	0.814	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1OC	ZINC000848961187	642585143	/nfs/dbraw/zinc/58/51/43/642585143.db2.gz	VBNKFICXVUPMHV-UHFFFAOYSA-N	0	1	389.499	0.895	20	30		GCEDMN
C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1)C(C)(C)C	ZINC000848961967	642587580	/nfs/dbraw/zinc/58/75/80/642587580.db2.gz	GKQZNKSMLLKKQY-GFCCVEGCSA-N	0	1	376.504	0.519	20	30		GCEDMN
C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1)C(C)C	ZINC000848963125	642592545	/nfs/dbraw/zinc/59/25/45/642592545.db2.gz	KBBKJFABJPGVOS-LLVKDONJSA-N	0	1	394.906	0.839	20	30		GCEDMN
C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1)C(C)C	ZINC000848963618	642595134	/nfs/dbraw/zinc/59/51/34/642595134.db2.gz	XFIFDSCRQDGVEB-LLVKDONJSA-N	0	1	394.906	0.839	20	30		GCEDMN
CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848964035	642596982	/nfs/dbraw/zinc/59/69/82/642596982.db2.gz	HUMLLCILEZPLHV-UHFFFAOYSA-N	0	1	395.894	0.731	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(F)(F)F)[nH]1	ZINC000848964523	642600053	/nfs/dbraw/zinc/60/00/53/642600053.db2.gz	ALIIEKWCLHEODM-QMMMGPOBSA-N	0	1	388.393	0.501	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncccc1NC(C)=O	ZINC000848965630	642603815	/nfs/dbraw/zinc/60/38/15/642603815.db2.gz	UKUMVRCQUFISFP-LLVKDONJSA-N	0	1	388.471	0.113	20	30		GCEDMN
C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848966532	642607915	/nfs/dbraw/zinc/60/79/15/642607915.db2.gz	SOFSCQZWNNRXNN-SECBINFHSA-N	0	1	381.867	0.483	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)ncc1C	ZINC000848969589	642620717	/nfs/dbraw/zinc/62/07/17/642620717.db2.gz	SZPCQFCMWJKCGF-HNNXBMFYSA-N	0	1	387.527	0.926	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCO[C@](C)(C#N)C2)CC1	ZINC000893494414	1192164676	/nfs/dbraw/zinc/16/46/76/1192164676.db2.gz	NCBCNPNQKWEZHS-LJQANCHMSA-N	0	1	379.505	0.937	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1	ZINC000662167660	1192251452	/nfs/dbraw/zinc/25/14/52/1192251452.db2.gz	LCRIGDAELAKIFW-QGZVFWFLSA-N	0	1	377.485	0.793	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccn[nH]1	ZINC000278856637	1192255777	/nfs/dbraw/zinc/25/57/77/1192255777.db2.gz	WYRXCRNWDQCPTD-ZYAMVYCBSA-N	0	1	376.413	0.767	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H](C)N1	ZINC000418857631	1192670071	/nfs/dbraw/zinc/67/00/71/1192670071.db2.gz	SMLULZAFIUXKQJ-IIAWOOMASA-N	0	1	387.459	0.991	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)CN1	ZINC000418860067	1192670972	/nfs/dbraw/zinc/67/09/72/1192670972.db2.gz	ZGASPUUNVCYSCX-IJEWVQPXSA-N	0	1	387.459	0.991	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1	ZINC000969220996	1184203999	/nfs/dbraw/zinc/20/39/99/1184203999.db2.gz	MQBXBIUVOQKTBP-MHORFTMASA-N	0	1	384.436	0.617	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1	ZINC000275509050	1184692960	/nfs/dbraw/zinc/69/29/60/1184692960.db2.gz	ZCUWFYIXCWQSTG-HNNXBMFYSA-N	0	1	393.509	0.515	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1	ZINC000430417602	1184701024	/nfs/dbraw/zinc/70/10/24/1184701024.db2.gz	XAYBGYKOEKYZNT-QZTJIDSGSA-N	0	1	379.501	0.655	20	30		GCEDMN
N#Cc1cnn(-c2ccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)cc2)c1N	ZINC001648908300	1184974218	/nfs/dbraw/zinc/97/42/18/1184974218.db2.gz	BVWFZCCSRDXXAF-FXAWDEMLSA-N	0	1	396.451	0.282	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]nc3ccc(C)cc32)C[C@@H]1O	ZINC000970702688	1184974381	/nfs/dbraw/zinc/97/43/81/1184974381.db2.gz	XJQLRWKLQUNVJD-VZEFYGNVSA-N	0	1	384.436	0.764	20	30		GCEDMN
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)C1	ZINC000891169526	1185004512	/nfs/dbraw/zinc/00/45/12/1185004512.db2.gz	XZMHYZWSWFDZNP-UHFFFAOYSA-N	0	1	388.443	0.959	20	30		GCEDMN
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)C1	ZINC000891168485	1185005429	/nfs/dbraw/zinc/00/54/29/1185005429.db2.gz	AVBDETNOJGMFPN-UHFFFAOYSA-N	0	1	388.443	0.435	20	30		GCEDMN
Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)ccc1C#N	ZINC000261987502	1185299710	/nfs/dbraw/zinc/29/97/10/1185299710.db2.gz	DMXVAZXMNRFUCR-MRXNPFEDSA-N	0	1	376.482	0.699	20	30		GCEDMN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000262147288	1185383934	/nfs/dbraw/zinc/38/39/34/1185383934.db2.gz	YNUCDRPIDILRPH-HNNXBMFYSA-N	0	1	392.481	0.399	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1	ZINC000430554735	1185583651	/nfs/dbraw/zinc/58/36/51/1185583651.db2.gz	RAOAQNJZKCORCT-FGTMMUONSA-N	0	1	379.501	0.655	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@H]32)CC1	ZINC001021883334	1185659811	/nfs/dbraw/zinc/65/98/11/1185659811.db2.gz	DRVIQJILRONPAB-DTGNRIQCSA-N	0	1	397.519	0.814	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCC2(CC1)OCCO2)c1ccn[nH]1	ZINC000276515245	1185856038	/nfs/dbraw/zinc/85/60/38/1185856038.db2.gz	BPBRJBLEFHMWHS-RCCKNPSSSA-N	0	1	380.401	0.495	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCC(=O)N1CCCCCC1)c1ccn[nH]1	ZINC000276533291	1185872004	/nfs/dbraw/zinc/87/20/04/1185872004.db2.gz	FCNYXOUBJPFTEV-OQKWZONESA-N	0	1	393.444	0.602	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1cc[nH]n1	ZINC000276542593	1185881173	/nfs/dbraw/zinc/88/11/73/1185881173.db2.gz	GHVPSCQUJQKIAD-RCCKNPSSSA-N	0	1	393.444	0.410	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CCOC)Cc1ccco1)c1cc[nH]n1	ZINC000276586503	1185917069	/nfs/dbraw/zinc/91/70/69/1185917069.db2.gz	MLYKGTCFLVLGTG-CAPFRKAQSA-N	0	1	378.385	0.962	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1cccc(OC)c1)c1ccn[nH]1	ZINC000276618950	1185929532	/nfs/dbraw/zinc/92/95/32/1185929532.db2.gz	QMSLUPNQCIZXAG-HDHZYAPQSA-N	0	1	390.396	0.552	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(N(C)C(C)=O)CC1)c1cc[nH]n1	ZINC000276634128	1185931553	/nfs/dbraw/zinc/93/15/53/1185931553.db2.gz	TZNSSSJJNRQNMH-CAPFRKAQSA-N	0	1	379.417	0.163	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](COCCOC)C1)c1cc[nH]n1	ZINC000276648885	1185934496	/nfs/dbraw/zinc/93/44/96/1185934496.db2.gz	WHSTWCXKJYDEGW-GJEKEPIOSA-N	0	1	382.417	0.205	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(C(C)=O)c(C)n1)c1ccn[nH]1	ZINC000276654450	1185935818	/nfs/dbraw/zinc/93/58/18/1185935818.db2.gz	XAZXBWFXTGWCOR-HAVVHWLPSA-N	0	1	387.396	0.916	20	30		GCEDMN
C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)C1	ZINC000891605483	1185939004	/nfs/dbraw/zinc/93/90/04/1185939004.db2.gz	FONUTZJQTXOLEB-KRWDZBQOSA-N	0	1	383.496	0.591	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@](C)(C(N)=O)c1ccccc1)c1ccn[nH]1	ZINC000276668256	1185942822	/nfs/dbraw/zinc/94/28/22/1185942822.db2.gz	YTLOYHSARNNENR-MMTNMYCKSA-N	0	1	387.396	0.210	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCn1nc(C)cc1C)c1ccn[nH]1	ZINC000276763760	1186033321	/nfs/dbraw/zinc/03/33/21/1186033321.db2.gz	XKUANQNTTRMOLI-CJLVFECKSA-N	0	1	376.417	0.713	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247530851	1186167679	/nfs/dbraw/zinc/16/76/79/1186167679.db2.gz	ZWEQGMTYYNWKQG-HZPDHXFCSA-N	0	1	386.504	0.204	20	30		GCEDMN
CO[C@@H]1CCOC[C@H]1NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000934039825	1186224965	/nfs/dbraw/zinc/22/49/65/1186224965.db2.gz	WLTKHWWVBYRHLD-BZUAXINKSA-N	0	1	378.498	0.850	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000277134192	1186247600	/nfs/dbraw/zinc/24/76/00/1186247600.db2.gz	GEVNICRLSDPILD-ZWKOTPCHSA-N	0	1	384.484	0.204	20	30		GCEDMN
COCCN(CCC#N)C(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1	ZINC000610987692	1186270919	/nfs/dbraw/zinc/27/09/19/1186270919.db2.gz	RFRDFPSIESYXKI-UHFFFAOYSA-N	0	1	386.408	0.883	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)CC1	ZINC001022808419	1186619058	/nfs/dbraw/zinc/61/90/58/1186619058.db2.gz	PNOHATZAGMIEDB-UTBUEMAESA-N	0	1	385.508	0.958	20	30		GCEDMN
COC(=O)c1ccsc1N1CC[C@@H](NC[C@H](O)CN(C)CCC#N)C1=O	ZINC000582720753	1186625306	/nfs/dbraw/zinc/62/53/06/1186625306.db2.gz	FKRBMDATPWLIEE-GXTWGEPZSA-N	0	1	380.470	0.436	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccn[nH]1	ZINC000277863624	1186654646	/nfs/dbraw/zinc/65/46/46/1186654646.db2.gz	BEBCAKHGIVECJJ-NVOQOCLGSA-N	0	1	393.444	0.457	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(C(=O)OCC)n(C)c1)c1ccn[nH]1	ZINC000277909438	1186687718	/nfs/dbraw/zinc/68/77/18/1186687718.db2.gz	FWTNMDYWRXEIGB-RCCKNPSSSA-N	0	1	391.384	0.847	20	30		GCEDMN
COC(=O)[C@H](CS)Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1	ZINC001167624296	1186703709	/nfs/dbraw/zinc/70/37/09/1186703709.db2.gz	SCESWZCZUCNJOY-NSHDSACASA-N	0	1	389.434	0.306	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(CNC(C)=O)cc1)c1ccn[nH]1	ZINC000277986525	1186734669	/nfs/dbraw/zinc/73/46/69/1186734669.db2.gz	MYIQIVZJLRLMSG-HAVVHWLPSA-N	0	1	387.396	0.968	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1	ZINC000329138128	1186862700	/nfs/dbraw/zinc/86/27/00/1186862700.db2.gz	IBPFLVXROIGKDX-AWEZNQCLSA-N	0	1	389.456	0.294	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2C)C1	ZINC001023238638	1186912261	/nfs/dbraw/zinc/91/22/61/1186912261.db2.gz	XZOARFSNBXMJDA-HWMZRRJGSA-N	0	1	376.457	0.699	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCO[C@@H]1c1nccn1C)c1ccn[nH]1	ZINC000278420278	1186938468	/nfs/dbraw/zinc/93/84/68/1186938468.db2.gz	CFRRSMSAHRXGAD-YFXNMCCHSA-N	0	1	390.400	0.073	20	30		GCEDMN
C=C(C)C(=O)NCCCNc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1	ZINC001167671758	1186938967	/nfs/dbraw/zinc/93/89/67/1186938967.db2.gz	MWSQPKOREUBOLL-UHFFFAOYSA-N	0	1	396.448	0.917	20	30		GCEDMN
CCOC(=O)COc1cc(Cl)c(-n2c(C)ncc(CN)c2=N)nc1C#N	ZINC001167671838	1186939087	/nfs/dbraw/zinc/93/90/87/1186939087.db2.gz	CIQAUUXTPXFPCL-UHFFFAOYSA-N	0	1	376.804	0.981	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1c(CC)nn(C)c1OC)c1ccn[nH]1	ZINC000278440310	1186946086	/nfs/dbraw/zinc/94/60/86/1186946086.db2.gz	FAHIZYUEETZBAU-PXLXIMEGSA-N	0	1	392.416	0.314	20	30		GCEDMN
CCOCCO[C@H]1CCN(C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)C1	ZINC000278486124	1186957709	/nfs/dbraw/zinc/95/77/09/1186957709.db2.gz	JOAPGIQJOGHLTI-GJEKEPIOSA-N	0	1	382.417	0.348	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccccc1OC)c1ccn[nH]1	ZINC000278488196	1186958795	/nfs/dbraw/zinc/95/87/95/1186958795.db2.gz	JTOCVVZXXUBTFS-PFKVCDDJSA-N	0	1	390.396	0.552	20	30		GCEDMN
Cc1c([C@H]2OCC[C@@H]2NCCS(=O)(=O)c2ccc(C#N)cn2)cnn1C	ZINC000584314806	1187031286	/nfs/dbraw/zinc/03/12/86/1187031286.db2.gz	YDWUNGXDYGAFIO-DOTOQJQBSA-N	0	1	375.454	0.889	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](C)C[C@H]1C(=O)OC)c1cc[nH]n1	ZINC000278744498	1187044018	/nfs/dbraw/zinc/04/40/18/1187044018.db2.gz	STNVSHJAARDJFN-VCVTZMCGSA-N	0	1	380.401	0.494	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1O	ZINC001023907806	1187166652	/nfs/dbraw/zinc/16/66/52/1187166652.db2.gz	MLBLKVGQUVIJSC-SVGFKBNWSA-N	0	1	376.457	0.645	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1O	ZINC001023939619	1187179763	/nfs/dbraw/zinc/17/97/63/1187179763.db2.gz	IQJKDOXESCQUDP-MLHJIOFPSA-N	0	1	384.436	0.617	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1	ZINC001024562894	1187473867	/nfs/dbraw/zinc/47/38/67/1187473867.db2.gz	YSBQQYGGIPBSSJ-YYQUZTFQSA-N	0	1	384.436	0.764	20	30		GCEDMN
COC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000413897125	1187570248	/nfs/dbraw/zinc/57/02/48/1187570248.db2.gz	AIDAKCRGZYWRMW-MRXNPFEDSA-N	0	1	398.467	0.714	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1	ZINC001024784512	1187620782	/nfs/dbraw/zinc/62/07/82/1187620782.db2.gz	ULAKYQWHHHRSLC-NHIYQJMISA-N	0	1	376.457	0.356	20	30		GCEDMN
C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)C(C)C(=O)NC(N)=O	ZINC000414228739	1187776403	/nfs/dbraw/zinc/77/64/03/1187776403.db2.gz	ZMFFEEJHTGOYRS-LLVKDONJSA-N	0	1	377.426	0.797	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)C[C@@H]2C)CC1	ZINC000249344573	1187822733	/nfs/dbraw/zinc/82/27/33/1187822733.db2.gz	JLWIACOJGBQXGD-ZWKOTPCHSA-N	0	1	379.549	0.456	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1	ZINC001025291412	1187937639	/nfs/dbraw/zinc/93/76/39/1187937639.db2.gz	DZINFIJFRUHDNR-FAJBIJEISA-N	0	1	379.501	0.387	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1	ZINC001025292351	1187938437	/nfs/dbraw/zinc/93/84/37/1187938437.db2.gz	RAGQEOQSXVBGKY-XFKSJGNHSA-N	0	1	393.528	0.778	20	30		GCEDMN
C=C(C)CN(CC)C(=O)CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1	ZINC000077667656	1187945681	/nfs/dbraw/zinc/94/56/81/1187945681.db2.gz	DVWYSDXUGMVBRT-UHFFFAOYSA-N	0	1	378.517	0.847	20	30		GCEDMN
N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)n2)c(F)c1	ZINC000415635918	1188131527	/nfs/dbraw/zinc/13/15/27/1188131527.db2.gz	WAQNPRZMGHSUTQ-OKILXGFUSA-N	0	1	382.399	1.174	20	30		GCEDMN
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CN1C1CC1	ZINC000377893745	1188165051	/nfs/dbraw/zinc/16/50/51/1188165051.db2.gz	IXZULEVNLPEJDO-OLZOCXBDSA-N	0	1	379.424	0.819	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCN1	ZINC000415819170	1189371285	/nfs/dbraw/zinc/37/12/85/1189371285.db2.gz	YGZIWUICIMTPMY-UHFFFAOYSA-N	0	1	386.843	1.546	20	30		GCEDMN
Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCc4cn[nH]c43)CC2)c1C#N	ZINC000480836793	1189372088	/nfs/dbraw/zinc/37/20/88/1189372088.db2.gz	BZBVQXFXDXPQFE-HNNXBMFYSA-N	0	1	396.455	0.166	20	30		GCEDMN
CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@H]2C1	ZINC000377937279	1189378517	/nfs/dbraw/zinc/37/85/17/1189378517.db2.gz	GDPJNALJORADCC-BBRMVZONSA-N	0	1	379.424	0.630	20	30		GCEDMN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([S@@](C)=O)CC1	ZINC000290486059	1189412648	/nfs/dbraw/zinc/41/26/48/1189412648.db2.gz	UUCBGQLVTKLCTQ-HHHXNRCGSA-N	0	1	390.509	0.476	20	30		GCEDMN
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000416292725	1189482958	/nfs/dbraw/zinc/48/29/58/1189482958.db2.gz	IZPARHCPUSBRHH-LSDHHAIUSA-N	0	1	394.497	0.092	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(Cn2cncn2)CC1)c1cc[nH]n1	ZINC000278825130	1189498385	/nfs/dbraw/zinc/49/83/85/1189498385.db2.gz	UUKPQUFVVVNBBS-CJLVFECKSA-N	0	1	389.416	0.224	20	30		GCEDMN
CCS(=O)(=O)N(C)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1	ZINC000378479750	1189515612	/nfs/dbraw/zinc/51/56/12/1189515612.db2.gz	DETHJSQITCGSMJ-UHFFFAOYSA-N	0	1	378.498	0.942	20	30		GCEDMN
Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000053554462	1189748283	/nfs/dbraw/zinc/74/82/83/1189748283.db2.gz	RIJQJUPYVGADRM-UHFFFAOYSA-N	0	1	393.451	0.544	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)OCCCN2CCO[C@@H](C)C2)cc1	ZINC000893394321	1189879604	/nfs/dbraw/zinc/87/96/04/1189879604.db2.gz	UQNIXIZHXWRMDQ-HNNXBMFYSA-N	0	1	380.466	0.866	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)Cc1ncc(Cl)n1C)c1cc[nH]n1	ZINC000278844536	1190036884	/nfs/dbraw/zinc/03/68/84/1190036884.db2.gz	WEQQVMUHRRVBCK-XSFVSMFZSA-N	0	1	382.808	0.739	20	30		GCEDMN
COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)CC2	ZINC000129070795	1193866264	/nfs/dbraw/zinc/86/62/64/1193866264.db2.gz	ZFCCJANEQZGKST-JTQLQIEISA-N	0	1	383.380	0.868	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1OCC	ZINC000982698998	1193877966	/nfs/dbraw/zinc/87/79/66/1193877966.db2.gz	YRXUTQNLVJLTIZ-TXCZRRACSA-N	0	1	376.457	0.903	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1	ZINC000894187270	1193897066	/nfs/dbraw/zinc/89/70/66/1193897066.db2.gz	XAEQVZGUXIGXQS-HOTGVXAUSA-N	0	1	394.520	0.634	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H](C)CN1	ZINC000419613611	1194073613	/nfs/dbraw/zinc/07/36/13/1194073613.db2.gz	LAZSZSGZSHLPMX-QBBMROGASA-N	0	1	385.468	0.968	20	30		GCEDMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)C(=O)NCC#Cc2cccc(F)c2)C1	ZINC000420589447	1194244077	/nfs/dbraw/zinc/24/40/77/1194244077.db2.gz	USDRYAPKIFTCTI-UHFFFAOYSA-N	0	1	375.400	0.347	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1OCC	ZINC000983127448	1194583053	/nfs/dbraw/zinc/58/30/53/1194583053.db2.gz	KYJFZGSWRIGFGF-DLTWYDFYSA-N	0	1	391.472	0.688	20	30		GCEDMN
CCN(CCOCCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000503391523	1194661331	/nfs/dbraw/zinc/66/13/31/1194661331.db2.gz	MDVWQXBKYVNVHJ-INIZCTEOSA-N	0	1	380.514	0.788	20	30		GCEDMN
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000423083805	1194726336	/nfs/dbraw/zinc/72/63/36/1194726336.db2.gz	HAZVQOUNVLZHDO-SFHVURJKSA-N	0	1	397.479	0.187	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCN1	ZINC000423560747	1194764032	/nfs/dbraw/zinc/76/40/32/1194764032.db2.gz	LMEVFTXYROGXCP-XCLFUZPHSA-N	0	1	381.436	0.069	20	30		GCEDMN
C[C@@H]1CNCCN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000423615721	1194773941	/nfs/dbraw/zinc/77/39/41/1194773941.db2.gz	ZGGOYSSRHANZMT-CQSZACIVSA-N	0	1	383.452	0.556	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C)NC[C@@H]3C)CC2)c1C#N	ZINC000423651371	1194779453	/nfs/dbraw/zinc/77/94/53/1194779453.db2.gz	MAJKIRSCTJZBIL-RYUDHWBXSA-N	0	1	376.486	0.181	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C)N[C@@H](C)C3)CC2)c1C#N	ZINC000423677875	1194784833	/nfs/dbraw/zinc/78/48/33/1194784833.db2.gz	KGLNRIODQOVASC-RYUDHWBXSA-N	0	1	376.486	0.181	20	30		GCEDMN
Cc1[nH]ncc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000504499583	1194796104	/nfs/dbraw/zinc/79/61/04/1194796104.db2.gz	SVETYCAVQUSJRT-UHFFFAOYSA-N	0	1	388.453	0.806	20	30		GCEDMN
CCC(CC)(NC(=O)C1CN(C[C@H](O)COc2ccc(C#N)cc2)C1)C(N)=O	ZINC000504664641	1194802770	/nfs/dbraw/zinc/80/27/70/1194802770.db2.gz	ATZRVSKRUPTMHR-INIZCTEOSA-N	0	1	388.468	0.390	20	30		GCEDMN
CN(C)[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000549967141	1194805831	/nfs/dbraw/zinc/80/58/31/1194805831.db2.gz	DFZDVKMAJCPDBD-QGZVFWFLSA-N	0	1	397.483	0.674	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1OCC	ZINC000983267618	1194813580	/nfs/dbraw/zinc/81/35/80/1194813580.db2.gz	QKCGYZMKTZHNHZ-LUYZLQTOSA-N	0	1	392.456	0.310	20	30		GCEDMN
C=CCCn1cc(C(=O)N(CCN(CC)CC)[C@@H]2CCS(=O)(=O)C2)nn1	ZINC000424748475	1194828825	/nfs/dbraw/zinc/82/88/25/1194828825.db2.gz	HYKLSFZMSWDBLW-OAHLLOKOSA-N	0	1	383.518	0.825	20	30		GCEDMN
C=CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)nn1	ZINC000424782411	1194829737	/nfs/dbraw/zinc/82/97/37/1194829737.db2.gz	PCFDODHYWDXHTD-UHFFFAOYSA-N	0	1	392.485	0.946	20	30		GCEDMN
C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[C@@H]2C1	ZINC000425379927	1194932476	/nfs/dbraw/zinc/93/24/76/1194932476.db2.gz	DNMKFWCNZSTLBA-XUVXKRRUSA-N	0	1	395.507	0.776	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)CCNC[C@H](O)COc2ccc(F)cc2)nc1	ZINC000515169737	1194951477	/nfs/dbraw/zinc/95/14/77/1194951477.db2.gz	UQIMWDABFPKRAG-HNNXBMFYSA-N	0	1	379.413	0.896	20	30		GCEDMN
C=CCc1cc(C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)cc(OC)c1OC	ZINC000435704444	1194958228	/nfs/dbraw/zinc/95/82/28/1194958228.db2.gz	JMFAIDXISFUCTO-LSDHHAIUSA-N	0	1	378.425	0.634	20	30		GCEDMN
C=CCOC[C@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)C(=O)OC	ZINC000435947450	1194975813	/nfs/dbraw/zinc/97/58/13/1194975813.db2.gz	FALLTMOCQJDJHZ-SFHVURJKSA-N	0	1	375.469	0.908	20	30		GCEDMN
COc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1S(N)(=O)=O	ZINC000515833933	1195000371	/nfs/dbraw/zinc/00/03/71/1195000371.db2.gz	CUMKIMGLABQMEX-HNNXBMFYSA-N	0	1	391.449	0.744	20	30		GCEDMN
CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270293913	1195180652	/nfs/dbraw/zinc/18/06/52/1195180652.db2.gz	QNOVQWKQPCRZOK-OCCSQVGLSA-N	0	1	375.450	0.848	20	30		GCEDMN
CCOCCN1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270294079	1195181145	/nfs/dbraw/zinc/18/11/45/1195181145.db2.gz	VPJDUZUOIBNMMN-CQSZACIVSA-N	0	1	377.466	0.907	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1	ZINC000517580156	1195195006	/nfs/dbraw/zinc/19/50/06/1195195006.db2.gz	CLBOTZZMNSVWIK-UHFFFAOYSA-N	0	1	392.481	0.425	20	30		GCEDMN
CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000440333766	1195407423	/nfs/dbraw/zinc/40/74/23/1195407423.db2.gz	ANAQPRQWHYASJN-UHFFFAOYSA-N	0	1	390.387	0.629	20	30		GCEDMN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000440352290	1195409414	/nfs/dbraw/zinc/40/94/14/1195409414.db2.gz	FTFSSVMHVVIQEU-INIZCTEOSA-N	0	1	376.482	0.699	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)cc1	ZINC000415578128	1195570224	/nfs/dbraw/zinc/57/02/24/1195570224.db2.gz	ZJEPQBLPARBTSH-KBPBESRZSA-N	0	1	394.497	0.640	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1	ZINC000328706123	1195662058	/nfs/dbraw/zinc/66/20/58/1195662058.db2.gz	LJXPMKUQEDDXHA-OAHLLOKOSA-N	0	1	381.502	0.366	20	30		GCEDMN
CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@@H]3CCN(C)C[C@H]32)ccc1C	ZINC000328993525	1195684614	/nfs/dbraw/zinc/68/46/14/1195684614.db2.gz	DVHKYTFXGARZLE-HZPDHXFCSA-N	0	1	396.513	0.896	20	30		GCEDMN
C[C@@H]1CN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC(=O)N1C	ZINC000330416322	1195687981	/nfs/dbraw/zinc/68/79/81/1195687981.db2.gz	NXDJYDLCENMPOG-CQSZACIVSA-N	0	1	381.521	0.690	20	30		GCEDMN
CCCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)CN2CCN(C)CC2)CC1	ZINC000330644883	1195699038	/nfs/dbraw/zinc/69/90/38/1195699038.db2.gz	HVXUGGPAMUESRT-OAHLLOKOSA-N	0	1	389.566	0.330	20	30		GCEDMN
C[C@@H]1[C@H](C)N(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCN1C	ZINC000330621201	1195700644	/nfs/dbraw/zinc/70/06/44/1195700644.db2.gz	BEPMOUGGLJJYEP-KGLIPLIRSA-N	0	1	396.513	0.793	20	30		GCEDMN
CNS(=O)(=O)c1cc(NC(=O)N2CCN(CC(C)(C)O)CC2)ccc1C	ZINC000330679960	1195701426	/nfs/dbraw/zinc/70/14/26/1195701426.db2.gz	YGKOBTXZKLQJJI-UHFFFAOYSA-N	0	1	384.502	0.837	20	30		GCEDMN
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1	ZINC000330703870	1195704031	/nfs/dbraw/zinc/70/40/31/1195704031.db2.gz	QKPOBWLBMUYRCF-CQSZACIVSA-N	0	1	397.501	0.567	20	30		GCEDMN
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCN2C)cc1	ZINC000330725486	1195704749	/nfs/dbraw/zinc/70/47/49/1195704749.db2.gz	DUXJDMZOOTVEPA-HIFRSBDPSA-N	0	1	379.486	0.944	20	30		GCEDMN
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)CC2)cc1	ZINC000330978573	1195716196	/nfs/dbraw/zinc/71/61/96/1195716196.db2.gz	IRIZWXIJWZWJIR-CQSZACIVSA-N	0	1	398.529	0.958	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)CC1	ZINC000092618844	1195779027	/nfs/dbraw/zinc/77/90/27/1195779027.db2.gz	FLMAMUVIOXCORV-RTBURBONSA-N	0	1	377.533	0.333	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCCNc1ccc(C#N)cn1	ZINC000729520115	1195810727	/nfs/dbraw/zinc/81/07/27/1195810727.db2.gz	NUXXPWIARAEDIJ-UHFFFAOYSA-N	0	1	390.407	0.985	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOCC3(CCOCC3)C2)CC1	ZINC000184085497	1195816695	/nfs/dbraw/zinc/81/66/95/1195816695.db2.gz	VULWEDUACSNUBK-GOSISDBHSA-N	0	1	378.517	0.808	20	30		GCEDMN
CN1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1	ZINC000520701381	1195825346	/nfs/dbraw/zinc/82/53/46/1195825346.db2.gz	SDYZNGQILBFICK-HNNXBMFYSA-N	0	1	399.451	0.154	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1F	ZINC000427925634	1195899296	/nfs/dbraw/zinc/89/92/96/1195899296.db2.gz	OEBFBWLOLHKOLB-CQSZACIVSA-N	0	1	380.445	0.530	20	30		GCEDMN
C=CCN1CC[C@@H](N(C)CC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O	ZINC000366915385	1195962989	/nfs/dbraw/zinc/96/29/89/1195962989.db2.gz	UBOVFZNRNZDNSK-GOSISDBHSA-N	0	1	392.544	0.856	20	30		GCEDMN
COCCN1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1	ZINC000521756984	1196015846	/nfs/dbraw/zinc/01/58/46/1196015846.db2.gz	UFEYNOXSJGRBBU-HNNXBMFYSA-N	0	1	380.470	0.247	20	30		GCEDMN
C#CC1(O)CCN(Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1	ZINC000895377988	1196090363	/nfs/dbraw/zinc/09/03/63/1196090363.db2.gz	BFUYEWNMUMXORA-UHFFFAOYSA-N	0	1	388.464	0.893	20	30		GCEDMN
N#Cc1csc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)n1	ZINC000896467746	1196148641	/nfs/dbraw/zinc/14/86/41/1196148641.db2.gz	HAEWDECTORTLRU-CQSZACIVSA-N	0	1	378.502	0.611	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)c3csc(-c4nc[nH]n4)n3)CC2)C1=O	ZINC000329210915	1196177033	/nfs/dbraw/zinc/17/70/33/1196177033.db2.gz	ZUJIAKZBDRINJY-LBPRGKRZSA-N	0	1	375.458	0.928	20	30		GCEDMN
Cc1nccn1CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329321334	1196185263	/nfs/dbraw/zinc/18/52/63/1196185263.db2.gz	JCVWTCHIWUKRKE-HNNXBMFYSA-N	0	1	385.490	0.232	20	30		GCEDMN
CN1CCN(c2cc(CNC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)ccn2)CC1	ZINC000329332509	1196186118	/nfs/dbraw/zinc/18/61/18/1196186118.db2.gz	JSSNXGSAZOVJKE-INIZCTEOSA-N	0	1	386.500	0.848	20	30		GCEDMN
CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)CC2	ZINC000329340477	1196187259	/nfs/dbraw/zinc/18/72/59/1196187259.db2.gz	OITITJZEKNXYPA-ZDUSSCGKSA-N	0	1	384.506	0.598	20	30		GCEDMN
CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CC2	ZINC000329345284	1196187872	/nfs/dbraw/zinc/18/78/72/1196187872.db2.gz	QVWSTVBFBPBWRW-STQMWFEESA-N	0	1	384.506	0.596	20	30		GCEDMN
N#CCCCOc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1	ZINC000522536250	1196221345	/nfs/dbraw/zinc/22/13/45/1196221345.db2.gz	DSWWECJMHUNUQW-OALUTQOASA-N	0	1	393.509	0.957	20	30		GCEDMN
O=S(=O)([C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C1)N1CCOCC1	ZINC000329748181	1196229161	/nfs/dbraw/zinc/22/91/61/1196229161.db2.gz	STYHACJXIDNOHS-ZIAGYGMSSA-N	0	1	397.501	0.307	20	30		GCEDMN
Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CCO2)n[nH]1	ZINC000329758550	1196230159	/nfs/dbraw/zinc/23/01/59/1196230159.db2.gz	NRZQJLKBYINKJZ-CABCVRRESA-N	0	1	385.428	0.991	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)cn2)CC1	ZINC000329768452	1196230306	/nfs/dbraw/zinc/23/03/06/1196230306.db2.gz	GQWVNKVYYCHPAK-MRXNPFEDSA-N	0	1	387.488	0.551	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CCN(CC(F)(F)F)C1=O)CC2	ZINC000329810279	1196232520	/nfs/dbraw/zinc/23/25/20/1196232520.db2.gz	QPJVCKZZRMSNHY-NXEZZACHSA-N	0	1	390.366	0.406	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1CN1CCOCC1)CC2	ZINC000329838246	1196233629	/nfs/dbraw/zinc/23/36/29/1196233629.db2.gz	NGCCTRCKOZBUIN-CABCVRRESA-N	0	1	378.477	0.450	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1	ZINC000330006528	1196245739	/nfs/dbraw/zinc/24/57/39/1196245739.db2.gz	FEFCEAWBBQHIJR-DYVFJYSZSA-N	0	1	381.477	0.009	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1	ZINC000330006527	1196245939	/nfs/dbraw/zinc/24/59/39/1196245939.db2.gz	FEFCEAWBBQHIJR-CXAGYDPISA-N	0	1	381.477	0.009	20	30		GCEDMN
O=C(CN1CCn2c(=O)[nH]nc2C1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000330028250	1196247416	/nfs/dbraw/zinc/24/74/16/1196247416.db2.gz	ODWWRQWAHAWVJH-UHFFFAOYSA-N	0	1	385.428	0.189	20	30		GCEDMN
CN1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1	ZINC000330157061	1196256800	/nfs/dbraw/zinc/25/68/00/1196256800.db2.gz	PEGCNKOTIGXJDA-UHFFFAOYSA-N	0	1	383.474	0.286	20	30		GCEDMN
CSC1(CNC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CCOCC1	ZINC000330275117	1196262743	/nfs/dbraw/zinc/26/27/43/1196262743.db2.gz	LBIPHKDJFDXINZ-GFCCVEGCSA-N	0	1	382.490	0.840	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN(C(C)=O)C1)c1ccn[nH]1	ZINC000280904586	1196265053	/nfs/dbraw/zinc/26/50/53/1196265053.db2.gz	ZEAUADWAXONRHV-IQQDNESTSA-N	0	1	379.417	0.068	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cc1cccc(OCC#N)c1	ZINC000281190172	1196283034	/nfs/dbraw/zinc/28/30/34/1196283034.db2.gz	ZRQYGHPUDDTSIS-UHFFFAOYSA-N	0	1	388.468	0.380	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C)[C@H](c3nccn3C)C2)C1	ZINC000330323314	1196284838	/nfs/dbraw/zinc/28/48/38/1196284838.db2.gz	HNZFOCCIDYIVRA-SJORKVTESA-N	0	1	378.521	0.979	20	30		GCEDMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1	ZINC000487453073	1196288488	/nfs/dbraw/zinc/28/84/88/1196288488.db2.gz	BZYNUXRXLYIWPV-NUEKZKHPSA-N	0	1	381.498	0.713	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCOCC3)C[C@H]2C1	ZINC001088137737	1196376119	/nfs/dbraw/zinc/37/61/19/1196376119.db2.gz	BNJXWJGITMAQKS-LXZJYRNTSA-N	0	1	391.512	0.607	20	30		GCEDMN
N#CCCn1ccc(NC(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)n1	ZINC000444517271	1196499850	/nfs/dbraw/zinc/49/98/50/1196499850.db2.gz	FSCKNSNMFQJXLN-UHFFFAOYSA-N	0	1	388.472	0.696	20	30		GCEDMN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000841010056	1196586550	/nfs/dbraw/zinc/58/65/50/1196586550.db2.gz	XLDDWJYRCSCJNG-WFASDCNBSA-N	0	1	395.485	0.959	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)c1	ZINC000525601000	1196692087	/nfs/dbraw/zinc/69/20/87/1196692087.db2.gz	FOSWTKPQAADXDL-MRXNPFEDSA-N	0	1	394.541	0.764	20	30		GCEDMN
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1	ZINC000429712822	1196692763	/nfs/dbraw/zinc/69/27/63/1196692763.db2.gz	CHATXLPUDJQNDA-MRXNPFEDSA-N	0	1	397.545	0.929	20	30		GCEDMN
C[C@]1(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)NC(=O)NC1=O	ZINC000528400252	1196856238	/nfs/dbraw/zinc/85/62/38/1196856238.db2.gz	MNFFCWNYISVBEI-OAQYLSRUSA-N	0	1	394.431	0.596	20	30		GCEDMN
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC000528488362	1196864769	/nfs/dbraw/zinc/86/47/69/1196864769.db2.gz	RZVZPQINWCIABS-DLBZAZTESA-N	0	1	379.482	0.798	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@]2(CO)COc3ccccc3C2)CC1	ZINC000528645722	1196873863	/nfs/dbraw/zinc/87/38/63/1196873863.db2.gz	NUYIFMIDVHLJIT-NQIIRXRSSA-N	0	1	386.496	0.635	20	30		GCEDMN
COC[C@]1(C(=O)OC)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000451334961	1196988993	/nfs/dbraw/zinc/98/89/93/1196988993.db2.gz	MCEGMCGMXXTHTM-LPHOPBHVSA-N	0	1	380.489	0.190	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1cn(C)c2ncccc12)c1ccn[nH]1	ZINC001648983863	1197337263	/nfs/dbraw/zinc/33/72/63/1197337263.db2.gz	PKCKIEUVWIOVJS-UHFFFAOYSA-N	0	1	398.423	0.939	20	30		GCEDMN
N#Cc1ccsc1NC(=O)CCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000533383690	1197448691	/nfs/dbraw/zinc/44/86/91/1197448691.db2.gz	XUYFXEKDUKZCQQ-ZIAGYGMSSA-N	0	1	398.510	0.036	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271770214	1197559128	/nfs/dbraw/zinc/55/91/28/1197559128.db2.gz	CXIPUMDQBIMLAX-STQMWFEESA-N	0	1	382.486	0.988	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@]2(F)CCOC2)C3)CC1	ZINC000999569022	1198951900	/nfs/dbraw/zinc/95/19/00/1198951900.db2.gz	UMIXLWPCRQZBID-YLAKUSLOSA-N	0	1	377.460	0.708	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCc4n[nH]nc42)C3)c1	ZINC000999810697	1198975667	/nfs/dbraw/zinc/97/56/67/1198975667.db2.gz	YIUVMDMWBUFPAU-HLSYRSCKSA-N	0	1	379.424	0.986	20	30		GCEDMN
CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](OC)C1	ZINC001212426160	1198999379	/nfs/dbraw/zinc/99/93/79/1198999379.db2.gz	RFQOKCOXDZGABK-MUIFIZLQSA-N	0	1	388.472	0.091	20	30		GCEDMN
COCCOCCc1ncc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)[nH]1	ZINC000499834391	1199785714	/nfs/dbraw/zinc/78/57/14/1199785714.db2.gz	OCTQKCWHVDMFOD-UHFFFAOYSA-N	0	1	384.440	0.844	20	30		GCEDMN
CN(CC(=O)N1CCN2CCCC[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000328917175	1199828123	/nfs/dbraw/zinc/82/81/23/1199828123.db2.gz	RQCVWWUOMFYVNU-INIZCTEOSA-N	0	1	376.482	0.875	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCc4[nH]nnc4C2)C3)[nH]1	ZINC001004335178	1199861930	/nfs/dbraw/zinc/86/19/30/1199861930.db2.gz	IAIOBRGXXXTWJF-HOLCONJYSA-N	0	1	379.424	0.671	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCc4nn[nH]c4C2)C3)[nH]1	ZINC001004335178	1199861932	/nfs/dbraw/zinc/86/19/32/1199861932.db2.gz	IAIOBRGXXXTWJF-HOLCONJYSA-N	0	1	379.424	0.671	20	30		GCEDMN
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]nnc1C	ZINC001004722664	1199917979	/nfs/dbraw/zinc/91/79/79/1199917979.db2.gz	NNAMOMVJVIYMIF-YUELXQCFSA-N	0	1	380.408	0.696	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1OC	ZINC000946818927	1200174417	/nfs/dbraw/zinc/17/44/17/1200174417.db2.gz	RFZQATXVRDXOOO-APIJFGDWSA-N	0	1	376.457	0.620	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1OC	ZINC000946822179	1200316130	/nfs/dbraw/zinc/31/61/30/1200316130.db2.gz	JCABOEANBFCEDW-WBMYTEFPSA-N	0	1	384.383	0.894	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)CN1CCN(C)CC1	ZINC000546612390	1200970985	/nfs/dbraw/zinc/97/09/85/1200970985.db2.gz	LUNPIDMJIMNEEY-OAHLLOKOSA-N	0	1	382.472	1.205	20	30		GCEDMN
Cn1c(NC2CCN(Cc3cccc(C#N)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000593515222	1201065407	/nfs/dbraw/zinc/06/54/07/1201065407.db2.gz	KYCPSAKZDCTFIE-UHFFFAOYSA-N	0	1	393.451	1.321	20	30		GCEDMN
C#CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001079143763	1201247464	/nfs/dbraw/zinc/24/74/64/1201247464.db2.gz	MLVZJMZDZJSIPK-AKHDSKFASA-N	0	1	385.464	0.117	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1	ZINC000732444000	1201543772	/nfs/dbraw/zinc/54/37/72/1201543772.db2.gz	OKYBDOXRXLPMAD-UPTRSRDDSA-N	0	1	379.461	0.169	20	30		GCEDMN
O=C(CCNC(=O)c1n[nH]c2ccccc21)NCCNC(=O)C1N=CC=CC1=O	ZINC000732766592	1201559275	/nfs/dbraw/zinc/55/92/75/1201559275.db2.gz	UHKHHTWDXOBEJO-HTXNQAPBSA-N	0	1	396.407	0.325	20	30		GCEDMN
C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000735116482	1201679462	/nfs/dbraw/zinc/67/94/62/1201679462.db2.gz	NFHLWHOGVXVTEF-QHKYSRAXSA-N	0	1	396.407	0.324	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000735939204	1201706077	/nfs/dbraw/zinc/70/60/77/1201706077.db2.gz	ACBIAURYGTVVMV-CYBMUJFWSA-N	0	1	393.465	0.549	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001273426886	1201859446	/nfs/dbraw/zinc/85/94/46/1201859446.db2.gz	DKWFBCHUFCRQKQ-OGHNNQOOSA-N	0	1	395.506	0.440	20	30		GCEDMN
C=CCNC(=O)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1	ZINC000745539537	1201880929	/nfs/dbraw/zinc/88/09/29/1201880929.db2.gz	XNOMMTNHJDZJPE-JTQLQIEISA-N	0	1	386.426	0.923	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1	ZINC000746215856	1201903547	/nfs/dbraw/zinc/90/35/47/1201903547.db2.gz	RMFZRNOWGMAOIR-UHFFFAOYSA-N	0	1	377.448	0.754	20	30		GCEDMN
C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O	ZINC001109040016	1201991142	/nfs/dbraw/zinc/99/11/42/1201991142.db2.gz	LYASAULSOIHNNI-WCVJEAGWSA-N	0	1	378.473	0.631	20	30		GCEDMN
CN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2	ZINC001109161366	1201999475	/nfs/dbraw/zinc/99/94/75/1201999475.db2.gz	VFNMGGPDKGKZBW-PMPSAXMXSA-N	0	1	379.486	0.503	20	30		GCEDMN
CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1	ZINC001109273764	1202011036	/nfs/dbraw/zinc/01/10/36/1202011036.db2.gz	RXRSZZGRVMHQRM-IKGGRYGDSA-N	0	1	376.482	0.719	20	30		GCEDMN
C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O	ZINC001109342938	1202022347	/nfs/dbraw/zinc/02/23/47/1202022347.db2.gz	AXOKGDKJSVGQOT-UGUYLWEFSA-N	0	1	377.485	0.820	20	30		GCEDMN
CN(C)Cc1ccsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N	ZINC001109360855	1202025057	/nfs/dbraw/zinc/02/50/57/1202025057.db2.gz	HEHRBWDEKONZHE-ILXRZTDVSA-N	0	1	375.498	0.785	20	30		GCEDMN
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3ccncc3)n1)C2	ZINC001109512376	1202069241	/nfs/dbraw/zinc/06/92/41/1202069241.db2.gz	DTTWQPLFRYBQSZ-NJAFHUGGSA-N	0	1	380.452	0.905	20	30		GCEDMN
CCOC(=O)c1nn(C)cc1C=NNc1ccc(S(=O)(=O)NC2CC2)cn1	ZINC000769780287	1202071187	/nfs/dbraw/zinc/07/11/87/1202071187.db2.gz	HIHPBCQTEALBQT-UHFFFAOYSA-N	0	1	392.441	0.879	20	30		GCEDMN
COC(=O)C[C@]1(NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCCOC1	ZINC000770694875	1202108867	/nfs/dbraw/zinc/10/88/67/1202108867.db2.gz	ALJYTVKORCBFDS-VQIMIIECSA-N	0	1	380.489	0.381	20	30		GCEDMN
COC(=O)C[C@]1(NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCCOC1	ZINC000770694874	1202109104	/nfs/dbraw/zinc/10/91/04/1202109104.db2.gz	ALJYTVKORCBFDS-QFBILLFUSA-N	0	1	380.489	0.381	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1cc[nH]n1	ZINC000770818144	1202114645	/nfs/dbraw/zinc/11/46/45/1202114645.db2.gz	DHVJEYNPYXXQAV-HNNXBMFYSA-N	0	1	399.407	0.132	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnc2c(c1)c(C)nn2C)c1ccn[nH]1	ZINC000770821925	1202114874	/nfs/dbraw/zinc/11/48/74/1202114874.db2.gz	MCKKIWMLUGSFEZ-UHFFFAOYSA-N	0	1	385.384	0.922	20	30		GCEDMN
Cn1ccnc1C(=O)C(C#N)=C(O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	ZINC000770872122	1202116642	/nfs/dbraw/zinc/11/66/42/1202116642.db2.gz	SDSVUPNGPRATNO-JSGCOSHPSA-N	0	1	382.355	0.571	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccn[nH]1	ZINC000770831328	1202116806	/nfs/dbraw/zinc/11/68/06/1202116806.db2.gz	HATNIELPURWKSR-UHFFFAOYSA-N	0	1	377.332	0.570	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCSc3ccc(F)cc32)c(=O)n(C)c1=O	ZINC000771897730	1202168900	/nfs/dbraw/zinc/16/89/00/1202168900.db2.gz	QTMDOJGDPJZPJZ-UHFFFAOYSA-N	0	1	398.441	0.402	20	30		GCEDMN
Cc1ccc(CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C2CC2)cc1	ZINC000771897345	1202168955	/nfs/dbraw/zinc/16/89/55/1202168955.db2.gz	LYFRNHYCTVNGKP-UHFFFAOYSA-N	0	1	390.465	0.679	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@@H]2c2ccc(F)cc2)c(=O)n(C)c1=O	ZINC000771897255	1202169012	/nfs/dbraw/zinc/16/90/12/1202169012.db2.gz	KQTOOUSXTFYMCF-CYBMUJFWSA-N	0	1	394.428	0.825	20	30		GCEDMN
Cc1ccc2c(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c[nH]c2c1	ZINC000771897983	1202169041	/nfs/dbraw/zinc/16/90/41/1202169041.db2.gz	MMLIWKOAWDIETL-UHFFFAOYSA-N	0	1	375.410	0.186	20	30		GCEDMN
CCCc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771898093	1202169167	/nfs/dbraw/zinc/16/91/67/1202169167.db2.gz	UHZAPALPTDPMKT-UHFFFAOYSA-N	0	1	378.454	0.739	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1	ZINC000772111348	1202174908	/nfs/dbraw/zinc/17/49/08/1202174908.db2.gz	ZFPQAZPWLPARJG-UHFFFAOYSA-N	0	1	393.390	0.908	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1	ZINC000772113608	1202174914	/nfs/dbraw/zinc/17/49/14/1202174914.db2.gz	OVOIXVSJIOOBLC-UHFFFAOYSA-N	0	1	393.465	0.469	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)CC1	ZINC000772111055	1202174926	/nfs/dbraw/zinc/17/49/26/1202174926.db2.gz	ZUEXFBLGVNBIJG-SFHVURJKSA-N	0	1	377.485	0.590	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000772110300	1202174928	/nfs/dbraw/zinc/17/49/28/1202174928.db2.gz	PQZFETMZSYGFEH-UHFFFAOYSA-N	0	1	399.451	0.392	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)CC1	ZINC000772109769	1202174947	/nfs/dbraw/zinc/17/49/47/1202174947.db2.gz	JTRDXMNBLUNCMS-IRXDYDNUSA-N	0	1	377.485	0.623	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(=O)Nc1cccc(F)c1)c1ccn[nH]1	ZINC000772156142	1202176300	/nfs/dbraw/zinc/17/63/00/1202176300.db2.gz	OSTZEDKOXDHJNC-UHFFFAOYSA-N	0	1	391.359	0.588	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CCC(N)=O)C1)c1cc[nH]n1	ZINC000772202733	1202177365	/nfs/dbraw/zinc/17/73/65/1202177365.db2.gz	QLPOXXVEOVHVAX-LBPRGKRZSA-N	0	1	379.417	0.198	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CCCO1	ZINC000787734688	1205401628	/nfs/dbraw/zinc/40/16/28/1205401628.db2.gz	CRHQYOLIZXKBNV-ZCNNSNEGSA-N	0	1	398.507	0.388	20	30		GCEDMN
C#Cc1cccc(NC(=O)CNC(=O)C(=NOCC(=O)OCC)c2ccn[nH]2)c1	ZINC000789959057	1205453481	/nfs/dbraw/zinc/45/34/81/1205453481.db2.gz	MZDPBLIAECHEEE-UHFFFAOYSA-N	0	1	397.391	0.430	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@@H](O)c3ncc[nH]3)CC2)CC1	ZINC000790079619	1205455838	/nfs/dbraw/zinc/45/58/38/1205455838.db2.gz	LBZSGUGANPZNQF-PKOBYXMFSA-N	0	1	388.516	0.847	20	30		GCEDMN
CC#CCN[C@@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C[C@@H]1n1ccnn1	ZINC001129850290	1205520909	/nfs/dbraw/zinc/52/09/09/1205520909.db2.gz	WXFXRSJPEHFILV-MKXGPGLRSA-N	0	1	393.495	0.810	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1c1cn(C)cn1	ZINC001130611862	1205555484	/nfs/dbraw/zinc/55/54/84/1205555484.db2.gz	JECLCNOWDOPUEO-GFIVTLFCSA-N	0	1	389.500	0.421	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cn(C)cn1	ZINC001130630278	1205557129	/nfs/dbraw/zinc/55/71/29/1205557129.db2.gz	KDWCBOYKONWJTI-GITGPQGGSA-N	0	1	399.495	0.030	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1c1cn(C)cn1	ZINC001130678298	1205559719	/nfs/dbraw/zinc/55/97/19/1205559719.db2.gz	SWPMBXNUGOTCGQ-YALNPMBYSA-N	0	1	375.473	0.174	20	30		GCEDMN
C#CCCN1CCN(C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)CC1	ZINC000747374651	1205576496	/nfs/dbraw/zinc/57/64/96/1205576496.db2.gz	JPZZPWBPVPMOHG-UHFFFAOYSA-N	0	1	382.350	0.494	20	30		GCEDMN
COc1ccc(N2CCN(CCCNC(=O)NCC(=O)NCC#N)CC2)cc1	ZINC000807554854	1205585484	/nfs/dbraw/zinc/58/54/84/1205585484.db2.gz	NRCNJKMLIYVSEE-UHFFFAOYSA-N	0	1	388.472	0.146	20	30		GCEDMN
CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NCC#N)C1	ZINC001131071949	1205591786	/nfs/dbraw/zinc/59/17/86/1205591786.db2.gz	FNIBRJAEYVDZJJ-QBPKDAKJSA-N	0	1	386.500	0.626	20	30		GCEDMN
Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC#Cc1ccccc1	ZINC001131073787	1205593622	/nfs/dbraw/zinc/59/36/22/1205593622.db2.gz	OMQATXQZPNYGGR-FCGDIQPGSA-N	0	1	391.475	0.477	20	30		GCEDMN
CCOC(=O)C1=C(Cn2cncc(C#N)c2=O)NC(=O)N[C@@H]1c1ccccc1	ZINC000809969995	1205632080	/nfs/dbraw/zinc/63/20/80/1205632080.db2.gz	KBCRZQUSTHNERC-MRXNPFEDSA-N	0	1	379.376	0.986	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000747817975	1205668391	/nfs/dbraw/zinc/66/83/91/1205668391.db2.gz	BCPUAXFTWMBPGO-UHFFFAOYSA-N	0	1	398.507	0.805	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000747824359	1205669142	/nfs/dbraw/zinc/66/91/42/1205669142.db2.gz	MGQIMKRTGXTLDI-UHFFFAOYSA-N	0	1	386.452	0.025	20	30		GCEDMN
CON(C)C(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000812869762	1205669804	/nfs/dbraw/zinc/66/98/04/1205669804.db2.gz	LPADCWQZXGLPHG-KRWDZBQOSA-N	0	1	379.505	0.411	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1	ZINC000747854468	1205675309	/nfs/dbraw/zinc/67/53/09/1205675309.db2.gz	MFVFKGDRWRWWNH-UHFFFAOYSA-N	0	1	398.511	0.504	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1nc(N2CCOCC2)cc[nH+]1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170739561	1205689439	/nfs/dbraw/zinc/68/94/39/1205689439.db2.gz	ADEQVXWDWXOITE-SJKOYZFVSA-N	0	1	393.469	0.278	20	30		GCEDMN
Cc1c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n(C)c2ccccc12	ZINC000814883196	1205696497	/nfs/dbraw/zinc/69/64/97/1205696497.db2.gz	DKKDNVZWVGYEAL-UHFFFAOYSA-N	0	1	389.437	0.197	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CC3)OCCCO4)CC2)o1	ZINC000815154639	1205698414	/nfs/dbraw/zinc/69/84/14/1205698414.db2.gz	SCMMXJLBWNGYOQ-UHFFFAOYSA-N	0	1	389.456	0.732	20	30		GCEDMN
C[C@@H](CCCC#N)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1	ZINC001172493393	1205716156	/nfs/dbraw/zinc/71/61/56/1205716156.db2.gz	AKNKBGLSEFZPHZ-MWDXBVQZSA-N	0	1	383.514	0.663	20	30		GCEDMN
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1	ZINC001110181514	1205735584	/nfs/dbraw/zinc/73/55/84/1205735584.db2.gz	HNQKEPCIYCASQN-FPAYPSAMSA-N	0	1	382.501	0.857	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O)(C(C)C)CC3)CC2)o1	ZINC001176921373	1205758001	/nfs/dbraw/zinc/75/80/01/1205758001.db2.gz	MKNVTDNKCDPFIA-UHFFFAOYSA-N	0	1	375.473	0.986	20	30		GCEDMN
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc(C#N)c(C#N)nc1N	ZINC001177079270	1205761080	/nfs/dbraw/zinc/76/10/80/1205761080.db2.gz	SIFHBHVJAGQNLP-SNVBAGLBSA-N	0	1	397.399	0.600	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC2(CCNC(=O)O2)CC1)c1cc[nH]n1	ZINC001177262721	1205765203	/nfs/dbraw/zinc/76/52/03/1205765203.db2.gz	GHGHOYWYJLZPLI-STZFKDTASA-N	0	1	393.400	0.185	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C)C1)c1cc[nH]n1	ZINC001177262787	1205765236	/nfs/dbraw/zinc/76/52/36/1205765236.db2.gz	GPDZUENTYPIUGK-FTBWXALPSA-N	0	1	391.428	0.163	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(NC(C)=O)ccc1O)c1ccn[nH]1	ZINC001177262348	1205765259	/nfs/dbraw/zinc/76/52/59/1205765259.db2.gz	ANQGPQBOEZVXIB-JWGURIENSA-N	0	1	389.368	0.996	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(N)ccc1OCCO)c1ccn[nH]1	ZINC001177262705	1205765263	/nfs/dbraw/zinc/76/52/63/1205765263.db2.gz	HSCQLTPVBYDYGX-JWGURIENSA-N	0	1	391.384	0.286	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nc(C(=O)OC)cs1)c1ccn[nH]1	ZINC001177262730	1205765320	/nfs/dbraw/zinc/76/53/20/1205765320.db2.gz	IJZMZPIYRSHKTO-MOSHPQCFSA-N	0	1	395.397	0.253	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(Cn2cncn2)cc1)c1ccn[nH]1	ZINC001177263080	1205765481	/nfs/dbraw/zinc/76/54/81/1205765481.db2.gz	LMNGGKUOGHDHJQ-ULJHMMPZSA-N	0	1	397.395	0.972	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCOC[C@H]1c1cccnc1)c1cc[nH]n1	ZINC001177263156	1205765575	/nfs/dbraw/zinc/76/55/75/1205765575.db2.gz	MQLWXLMYFYBYJO-AKKXKAEUSA-N	0	1	387.396	0.689	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@]2(C1)CC(F)(F)CO2)c1cc[nH]n1	ZINC001177263057	1205765662	/nfs/dbraw/zinc/76/56/62/1205765662.db2.gz	LAVZRAJDEVRSAI-PJMHOZITSA-N	0	1	386.355	0.720	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1(C(F)(F)F)CCOCC1)c1ccn[nH]1	ZINC001177263885	1205765807	/nfs/dbraw/zinc/76/58/07/1205765807.db2.gz	IXVJWNHQXOXAAN-UUYOSTAYSA-N	0	1	392.334	0.921	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1ccc(OC)cn1)c1ccn[nH]1	ZINC001177264165	1205765825	/nfs/dbraw/zinc/76/58/25/1205765825.db2.gz	VEZUAWLMYSZEAI-JWGURIENSA-N	0	1	375.385	0.456	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(O)cc1)c1ccn[nH]1	ZINC001177263858	1205765865	/nfs/dbraw/zinc/76/58/65/1205765865.db2.gz	HRGBXAKCCZNDLJ-FJGOLAJPSA-N	0	1	376.369	0.249	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C(=O)NC(C)C)C(C)C)c1ccn[nH]1	ZINC001177264210	1205765978	/nfs/dbraw/zinc/76/59/78/1205765978.db2.gz	XAVVVJUYILNLSJ-LWOZTNPUSA-N	0	1	381.433	0.359	20	30		GCEDMN
COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001177909869	1205779279	/nfs/dbraw/zinc/77/92/79/1205779279.db2.gz	QRLSTBLNWRDRBE-WCQYABFASA-N	0	1	382.463	0.619	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001177918407	1205779501	/nfs/dbraw/zinc/77/95/01/1205779501.db2.gz	XKIFTVRHBDLDIB-ZBFHGGJFSA-N	0	1	384.461	0.759	20	30		GCEDMN
C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001178206940	1205783865	/nfs/dbraw/zinc/78/38/65/1205783865.db2.gz	CUNYZZZPQMVQRR-UHFFFAOYSA-N	0	1	380.426	0.087	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[C@@H]1CCCO1	ZINC000773799190	1205802026	/nfs/dbraw/zinc/80/20/26/1205802026.db2.gz	RPKAPBFNTWDKTF-MOPGFXCFSA-N	0	1	384.480	0.670	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C(=O)OCC)c[nH]2)c1	ZINC000774293087	1205869173	/nfs/dbraw/zinc/86/91/73/1205869173.db2.gz	PLKZPIKKSNIPQQ-UHFFFAOYSA-N	0	1	376.394	0.750	20	30		GCEDMN
CN(C)C1(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1	ZINC001182598025	1205876799	/nfs/dbraw/zinc/87/67/99/1205876799.db2.gz	XFKARMNJBMMNOJ-HXUWFJFHSA-N	0	1	398.463	0.613	20	30		GCEDMN
CN(C)[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccs1	ZINC000774853965	1205920513	/nfs/dbraw/zinc/92/05/13/1205920513.db2.gz	IJRYJEVXGIQGNX-CQSZACIVSA-N	0	1	386.481	0.962	20	30		GCEDMN
COc1nc(C(=NS(=O)(=O)c2c[nH]cn2)NO)ccc1-n1cnc(C)c1	ZINC001187798670	1205969113	/nfs/dbraw/zinc/96/91/13/1205969113.db2.gz	NSIGMEHDJQDVOC-UHFFFAOYSA-N	0	1	377.386	0.422	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]21	ZINC001187951822	1205972008	/nfs/dbraw/zinc/97/20/08/1205972008.db2.gz	OCATYVUZMZUGII-HZMVEIRTSA-N	0	1	385.530	0.392	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000775188750	1205989403	/nfs/dbraw/zinc/98/94/03/1205989403.db2.gz	DDWIQEVYRWTPMT-INIZCTEOSA-N	0	1	392.525	0.365	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000775239155	1206002276	/nfs/dbraw/zinc/00/22/76/1206002276.db2.gz	WNQYMIVHPDELID-OAHLLOKOSA-N	0	1	378.498	0.023	20	30		GCEDMN
C=CCOC[C@H](NS(=O)(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1)C(=O)OC	ZINC001189693731	1206014135	/nfs/dbraw/zinc/01/41/35/1206014135.db2.gz	XKEXENIJLXKMKM-DCAQKATOSA-N	0	1	375.365	0.760	20	30		GCEDMN
C=CCC1(S(=O)(=O)NCc2cc(N3CCS(=O)(=O)CC3)ccn2)CC1	ZINC001190843950	1206047894	/nfs/dbraw/zinc/04/78/94/1206047894.db2.gz	SYDPQYDROSUZKD-UHFFFAOYSA-N	0	1	385.511	0.845	20	30		GCEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ncnc4[nH]cc(C#N)c43)CC2)C1	ZINC001164875977	721260530	/nfs/dbraw/zinc/26/05/30/721260530.db2.gz	MTKZTAVSLZMKTQ-UHFFFAOYSA-N	0	1	397.483	0.837	20	30		GCEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(C#N)c(C#N)n4)C3)O2)CC1	ZINC001164895395	721438997	/nfs/dbraw/zinc/43/89/97/721438997.db2.gz	OILBISXCBIQLHL-UZLBHIALSA-N	0	1	381.484	0.985	20	30		GCEDMN
CNS(=O)(=O)c1cccc([C@H](C)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)c1	ZINC001571257827	945346245	/nfs/dbraw/zinc/34/62/45/945346245.db2.gz	JYRULJQGFDJMLS-VIFPVBQESA-N	0	1	385.413	0.610	20	30		GCEDMN
N#Cc1cc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c[nH]1	ZINC001571296107	946184643	/nfs/dbraw/zinc/18/46/43/946184643.db2.gz	NYMCADJCYOVPBZ-SMDDNHRTSA-N	0	1	390.411	0.597	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001571296140	946187600	/nfs/dbraw/zinc/18/76/00/946187600.db2.gz	OZOUSLZKFAAWAY-GXTWGEPZSA-N	0	1	390.411	0.597	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)nc1	ZINC001573286765	946818578	/nfs/dbraw/zinc/81/85/78/946818578.db2.gz	AXHRSVMFAAICMV-ZDUSSCGKSA-N	0	1	375.396	0.172	20	30		GCEDMN
C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1	ZINC001573287337	946834443	/nfs/dbraw/zinc/83/44/43/946834443.db2.gz	BAEBPCGZIZGYPI-ZDUSSCGKSA-N	0	1	376.424	0.941	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1	ZINC001573287533	946839647	/nfs/dbraw/zinc/83/96/47/946839647.db2.gz	JJUUICGDPSFEDX-OLZOCXBDSA-N	0	1	376.424	0.987	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)cn1	ZINC001573287767	946845087	/nfs/dbraw/zinc/84/50/87/946845087.db2.gz	KWEQJGHZUAKPHW-IUODEOHRSA-N	0	1	389.423	0.820	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cc1	ZINC001573289325	946886591	/nfs/dbraw/zinc/88/65/91/946886591.db2.gz	YFGILHUFALUGIR-OAHLLOKOSA-N	0	1	377.408	0.176	20	30		GCEDMN
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573290102	946899051	/nfs/dbraw/zinc/89/90/51/946899051.db2.gz	UNNITCJYKDVCHO-BXUZGUMPSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#Cc1ccc(C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[nH]n3)n2)nc1	ZINC001573290325	946903062	/nfs/dbraw/zinc/90/30/62/946903062.db2.gz	WODAAGZEIGLEPC-UHFFFAOYSA-N	0	1	391.439	0.665	20	30		GCEDMN
C#Cc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573290792	946910940	/nfs/dbraw/zinc/91/09/40/946910940.db2.gz	PPCTXUBUYGNMSN-MRXNPFEDSA-N	0	1	388.435	0.966	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573291329	946918448	/nfs/dbraw/zinc/91/84/48/946918448.db2.gz	ZNJAPKSWBXXPHL-BXUZGUMPSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1	ZINC001573291877	946924115	/nfs/dbraw/zinc/92/41/15/946924115.db2.gz	LIXZJOYUVOWRHK-ZFWWWQNUSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1cncc(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573292406	946934522	/nfs/dbraw/zinc/93/45/22/946934522.db2.gz	VNXUUWWUQWIGLL-AWEZNQCLSA-N	0	1	389.423	0.679	20	30		GCEDMN
C=C(C)[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)OCC	ZINC001573292841	946941082	/nfs/dbraw/zinc/94/10/82/946941082.db2.gz	DUHJQLSKYBXPJX-CQSZACIVSA-N	0	1	386.460	0.853	20	30		GCEDMN
C[C@H](C#N)C(=O)N(CCNc1ccnc(-c2nn[nH]n2)n1)CCc1ccccc1	ZINC001573561218	946959437	/nfs/dbraw/zinc/95/94/37/946959437.db2.gz	JDYGUQGZNAHMHW-CQSZACIVSA-N	0	1	391.439	0.721	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573561927	946967865	/nfs/dbraw/zinc/96/78/65/946967865.db2.gz	OWUARKCORBFBNF-HNNXBMFYSA-N	0	1	382.472	0.602	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1	ZINC001573561928	946968037	/nfs/dbraw/zinc/96/80/37/946968037.db2.gz	OWUARKCORBFBNF-OAHLLOKOSA-N	0	1	382.472	0.602	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573294694	946994676	/nfs/dbraw/zinc/99/46/76/946994676.db2.gz	IUDFUKMOUKDSHS-KEYYUXOJSA-N	0	1	383.456	0.925	20	30		GCEDMN
C=C(Cl)CN(CCO)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1	ZINC001573295472	947020635	/nfs/dbraw/zinc/02/06/35/947020635.db2.gz	QEPYSRCVQYQEFU-UHFFFAOYSA-N	0	1	379.852	0.846	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566276	947022393	/nfs/dbraw/zinc/02/23/93/947022393.db2.gz	AJBFELLCKFAVSF-KPZWWZAWSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1	ZINC001573575020	947135023	/nfs/dbraw/zinc/13/50/23/947135023.db2.gz	VMXXZGWLTUUMPP-NSHDSACASA-N	0	1	375.458	0.843	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1	ZINC001573575020	947135025	/nfs/dbraw/zinc/13/50/25/947135025.db2.gz	VMXXZGWLTUUMPP-NSHDSACASA-N	0	1	375.458	0.843	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1	ZINC001573309406	947197583	/nfs/dbraw/zinc/19/75/83/947197583.db2.gz	IMWVYJMQFWVHPT-UUWFMWQGSA-N	0	1	384.444	0.269	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1	ZINC001573583694	947208517	/nfs/dbraw/zinc/20/85/17/947208517.db2.gz	NYCVWDVRMTZSOW-ZFWWWQNUSA-N	0	1	391.439	0.768	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2	ZINC001573310356	947222214	/nfs/dbraw/zinc/22/22/14/947222214.db2.gz	WXHMVMZCUKYMLF-SJCJKPOMSA-N	0	1	384.444	0.459	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573584545	947228312	/nfs/dbraw/zinc/22/83/12/947228312.db2.gz	XXNVPGZWAWMGDB-HTQZYQBOSA-N	0	1	382.837	0.458	20	30		GCEDMN
C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1c1ccccc1	ZINC001573585711	947265813	/nfs/dbraw/zinc/26/58/13/947265813.db2.gz	VIQLCICEQUUYBK-VHDGCEQUSA-N	0	1	389.423	0.905	20	30		GCEDMN
CCn1c2nnc(Cn3cnc(-c4nn[nH]n4)c3C#N)n2c2ccccc2c1=O	ZINC000825782692	947327815	/nfs/dbraw/zinc/32/78/15/947327815.db2.gz	LSFKTYFKFWALSU-UHFFFAOYSA-N	0	1	387.367	0.361	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccc(OCCn2cnc(-c3nn[nH]n3)c2C#N)cc1	ZINC000825875420	947353410	/nfs/dbraw/zinc/35/34/10/947353410.db2.gz	OZKKKRVFJBECDH-UHFFFAOYSA-N	0	1	388.413	0.264	20	30		GCEDMN
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O	ZINC001573336429	947505322	/nfs/dbraw/zinc/50/53/22/947505322.db2.gz	NAOUWEOROZWHLK-XYPHTWIQSA-N	0	1	386.456	0.509	20	30		GCEDMN
C=CCOCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1	ZINC001573347940	947578866	/nfs/dbraw/zinc/57/88/66/947578866.db2.gz	JZEXNTAOBJDHPA-ZIAGYGMSSA-N	0	1	386.460	0.901	20	30		GCEDMN
C=CCOCCCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573348320	947581089	/nfs/dbraw/zinc/58/10/89/947581089.db2.gz	PILJUSDUOQGIJJ-AWEZNQCLSA-N	0	1	386.460	0.854	20	30		GCEDMN
C=CCOCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1	ZINC001573348575	947587348	/nfs/dbraw/zinc/58/73/48/947587348.db2.gz	SAMRRCPULLSIIP-KUHUBIRLSA-N	0	1	398.471	0.924	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573350244	947591384	/nfs/dbraw/zinc/59/13/84/947591384.db2.gz	ALUYIGSMJBGUFE-MCIONIFRSA-N	0	1	384.444	0.533	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573352168	947627829	/nfs/dbraw/zinc/62/78/29/947627829.db2.gz	XAPDNPBDLRUQTG-KGLIPLIRSA-N	0	1	384.444	0.580	20	30		GCEDMN
CC#CCCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1	ZINC001573358760	947670704	/nfs/dbraw/zinc/67/07/04/947670704.db2.gz	PVRFKGDMBMUTCE-UHFFFAOYSA-N	0	1	383.456	0.955	20	30		GCEDMN
N#Cc1cnn(-c2ccccc2)c1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000826387769	948192523	/nfs/dbraw/zinc/19/25/23/948192523.db2.gz	QAEIRQYBWHQTMM-UHFFFAOYSA-N	0	1	385.351	0.631	20	30		GCEDMN
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1	ZINC001575510963	949124518	/nfs/dbraw/zinc/12/45/18/949124518.db2.gz	INXGRWUKPQSZJY-VIFPVBQESA-N	0	1	385.413	0.373	20	30		GCEDMN
C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576191779	950207857	/nfs/dbraw/zinc/20/78/57/950207857.db2.gz	KEJPRNIXHMIEOB-WCQYABFASA-N	0	1	392.427	0.489	20	30		GCEDMN
CC(C)(C)NS(=O)(=O)C1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1	ZINC001573849869	950262624	/nfs/dbraw/zinc/26/26/24/950262624.db2.gz	DHKRUSKXCMYYHC-UHFFFAOYSA-N	0	1	377.434	0.191	20	30		GCEDMN
C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576192778	950268870	/nfs/dbraw/zinc/26/88/70/950268870.db2.gz	QYGHLTVMYFMZKR-RYUDHWBXSA-N	0	1	392.427	0.489	20	30		GCEDMN
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576192776	950269178	/nfs/dbraw/zinc/26/91/78/950269178.db2.gz	QYGHLTVMYFMZKR-NEPJUHHUSA-N	0	1	392.427	0.489	20	30		GCEDMN
CC(C)(C)NS(=O)(=O)C1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CCC1	ZINC001573851085	950285606	/nfs/dbraw/zinc/28/56/06/950285606.db2.gz	QWQOFDIEAMONCE-UHFFFAOYSA-N	0	1	391.461	0.581	20	30		GCEDMN
CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(C#N)[nH]1	ZINC001574159672	950312217	/nfs/dbraw/zinc/31/22/17/950312217.db2.gz	XTYBHODGZIRMOD-LBPRGKRZSA-N	0	1	380.416	0.535	20	30		GCEDMN
CC(C)(C)OC(=O)N1CCO[C@@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573857038	950400495	/nfs/dbraw/zinc/40/04/95/950400495.db2.gz	LIUIIUOZQCJMMN-JTQLQIEISA-N	0	1	387.404	0.576	20	30		GCEDMN
Cn1cnc(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1Br	ZINC001571114342	952452770	/nfs/dbraw/zinc/45/27/70/952452770.db2.gz	GZPCLKACGPQCPV-UHFFFAOYSA-N	0	1	375.194	0.679	20	30		GCEDMN
N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)[nH]1	ZINC001571115342	952466803	/nfs/dbraw/zinc/46/68/03/952466803.db2.gz	VGKYVVXPKWILGR-DEZZGGKRSA-N	0	1	375.396	0.574	20	30		GCEDMN
C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001571124579	952541472	/nfs/dbraw/zinc/54/14/72/952541472.db2.gz	NQXZLGWYOCYQQP-AAEUAGOBSA-N	0	1	377.412	0.704	20	30		GCEDMN
COC(=O)[C@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)Cc1ccc(O)cc1	ZINC001571152888	952683659	/nfs/dbraw/zinc/68/36/59/952683659.db2.gz	KGBCAODQWZZCKX-NSHDSACASA-N	0	1	380.368	0.678	20	30		GCEDMN
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@]2(C(=O)[O-])CCOC2)CC1	ZINC001594602545	956148421	/nfs/dbraw/zinc/14/84/21/956148421.db2.gz	XOXNLUCUPHYRTA-SUMWQHHRSA-N	0	1	378.454	0.290	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C[C@@H]2C(=O)[O-]	ZINC001604289920	972886600	/nfs/dbraw/zinc/88/66/00/972886600.db2.gz	AQHBLRWESIJMIZ-KMFGOTIKSA-N	0	1	388.420	0.884	20	30		GCEDMN
C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588909816	984546034	/nfs/dbraw/zinc/54/60/34/984546034.db2.gz	AZBBHLGMEHOWFW-HZSPNIEDSA-N	0	1	377.445	0.583	20	30		GCEDMN
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)cc1	ZINC001589334383	986200932	/nfs/dbraw/zinc/20/09/32/986200932.db2.gz	CHWAORABQDHEFG-STQMWFEESA-N	0	1	394.453	0.852	20	30		GCEDMN
C[N@@H+](CCNS(=O)(=O)c1ccc(Br)c(C#N)c1)CC(=O)[O-]	ZINC001598494230	992340873	/nfs/dbraw/zinc/34/08/73/992340873.db2.gz	PVYNLVIYAPLCEQ-UHFFFAOYSA-N	0	1	376.232	0.615	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC001598774205	995913133	/nfs/dbraw/zinc/91/31/33/995913133.db2.gz	YLGBIBCUTHQLQQ-UXLLHSPISA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC001598774205	995913135	/nfs/dbraw/zinc/91/31/35/995913135.db2.gz	YLGBIBCUTHQLQQ-UXLLHSPISA-N	0	1	376.409	0.831	20	30		GCEDMN
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O	ZINC001594072689	997923776	/nfs/dbraw/zinc/92/37/76/997923776.db2.gz	BXXWUQMDKWMWNV-RYGJVYDSSA-N	0	1	398.419	0.706	20	30		GCEDMN
CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000608810165	530149092	/nfs/dbraw/zinc/14/90/92/530149092.db2.gz	BWIGZROUVYLALV-UHFFFAOYSA-N	0	1	381.439	0.704	20	30		GCEDMN
COCCS(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000265614241	530186636	/nfs/dbraw/zinc/18/66/36/530186636.db2.gz	IHUMLNCMVXJIBN-PEZBUJJGSA-N	0	1	375.472	0.888	20	30		GCEDMN
CN(CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C1CC1	ZINC000565228601	530300199	/nfs/dbraw/zinc/30/01/99/530300199.db2.gz	KBTOTRXLQJFWAU-UHFFFAOYSA-N	0	1	386.499	0.203	20	30		GCEDMN
N#Cc1cc(Br)cc(S(=O)(=O)NCC(=O)N2CCNCC2)c1	ZINC000566914562	530411393	/nfs/dbraw/zinc/41/13/93/530411393.db2.gz	XBOGWSOEJYPADX-UHFFFAOYSA-N	0	1	387.259	0.031	20	30		GCEDMN
Cc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)n[nH]1	ZINC000594624989	530432430	/nfs/dbraw/zinc/43/24/30/530432430.db2.gz	LGFNUTMSRZNYAX-UHFFFAOYSA-N	0	1	383.455	0.341	20	30		GCEDMN
C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)cc1	ZINC000594628487	530432955	/nfs/dbraw/zinc/43/29/55/530432955.db2.gz	ZLHWTDWKPOARIE-UWVGGRQHSA-N	0	1	384.443	0.035	20	30		GCEDMN
N#C[C@@H](c1ccc(Br)cc1)N1CCN(c2nc(N)nc(N)n2)CC1	ZINC000599067316	530466337	/nfs/dbraw/zinc/46/63/37/530466337.db2.gz	ZSSIIINHDOKICK-LBPRGKRZSA-N	0	1	389.261	0.846	20	30		GCEDMN
C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)[N@H+]1CCC[C@@H](C)C1	ZINC000328658672	530517240	/nfs/dbraw/zinc/51/72/40/530517240.db2.gz	RLZJGBUZSQJVLH-HUUCEWRRSA-N	0	1	392.591	0.989	20	30		GCEDMN
CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1	ZINC000331235526	530544225	/nfs/dbraw/zinc/54/42/25/530544225.db2.gz	LUWNBRACSHXTRD-AWEZNQCLSA-N	0	1	389.547	0.783	20	30		GCEDMN
C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1)N(C)C	ZINC000575002630	530554875	/nfs/dbraw/zinc/55/48/75/530554875.db2.gz	SDMQDHUESWSYQQ-LBPRGKRZSA-N	0	1	386.499	0.249	20	30		GCEDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000568253626	530556217	/nfs/dbraw/zinc/55/62/17/530556217.db2.gz	VBHTXHLIEMTLDQ-UHFFFAOYSA-N	0	1	388.515	0.449	20	30		GCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1	ZINC000568255809	530556767	/nfs/dbraw/zinc/55/67/67/530556767.db2.gz	DVVDCDNTGYBJPB-LBPRGKRZSA-N	0	1	386.499	0.249	20	30		GCEDMN
CC[C@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N	ZINC000582191691	530583736	/nfs/dbraw/zinc/58/37/36/530583736.db2.gz	HUXBNOOYKNTUPY-AWEZNQCLSA-N	0	1	394.563	0.344	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCN(C)C	ZINC000349446694	530636023	/nfs/dbraw/zinc/63/60/23/530636023.db2.gz	ADOLRESDAGJFLW-CYBMUJFWSA-N	0	1	388.515	0.401	20	30		GCEDMN
CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349495985	530656931	/nfs/dbraw/zinc/65/69/31/530656931.db2.gz	OSWOCSIENTWPNQ-UHFFFAOYSA-N	0	1	375.476	0.057	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000440105054	530683109	/nfs/dbraw/zinc/68/31/09/530683109.db2.gz	QMELMKVUOYPXGQ-STQMWFEESA-N	0	1	393.437	0.975	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)c1C	ZINC000349571729	530699305	/nfs/dbraw/zinc/69/93/05/530699305.db2.gz	GOMRDUFWWSKEJW-QWHCGFSZSA-N	0	1	389.503	0.770	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1n[nH]c(C)c1C	ZINC000349606267	530716867	/nfs/dbraw/zinc/71/68/67/530716867.db2.gz	JKLFDESDFJKVJJ-UHFFFAOYSA-N	0	1	376.504	0.833	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1	ZINC000475445405	530724875	/nfs/dbraw/zinc/72/48/75/530724875.db2.gz	PXMLRIXSUZLCIZ-UHFFFAOYSA-N	0	1	383.455	0.606	20	30		GCEDMN
COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)c[nH]1	ZINC000476216348	530730537	/nfs/dbraw/zinc/73/05/37/530730537.db2.gz	IRRNTWQZBNWXEH-UHFFFAOYSA-N	0	1	383.407	0.899	20	30		GCEDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N	ZINC000349478343	530876193	/nfs/dbraw/zinc/87/61/93/530876193.db2.gz	GQYPDTURWCPJDL-CYBMUJFWSA-N	0	1	386.499	0.203	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](F)C1	ZINC000349498665	530882303	/nfs/dbraw/zinc/88/23/03/530882303.db2.gz	CWZVTPWPKRBIIO-GFCCVEGCSA-N	0	1	393.466	0.280	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CCCCO1	ZINC000349467900	530889926	/nfs/dbraw/zinc/88/99/26/530889926.db2.gz	OQKXPELZXHYGBQ-UHFFFAOYSA-N	0	1	391.475	0.264	20	30		GCEDMN
CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000443321421	530897357	/nfs/dbraw/zinc/89/73/57/530897357.db2.gz	MVXKDCTZZQNKLR-UHFFFAOYSA-N	0	1	375.878	0.773	20	30		GCEDMN
COC(=O)CC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)OC	ZINC000277099956	530913168	/nfs/dbraw/zinc/91/31/68/530913168.db2.gz	SMJWUUPXCJEYNI-LLVKDONJSA-N	0	1	376.337	0.610	20	30		GCEDMN
C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C)s1	ZINC000414207589	531049542	/nfs/dbraw/zinc/04/95/42/531049542.db2.gz	HOORMOYOWYPKSG-SECBINFHSA-N	0	1	375.476	0.780	20	30		GCEDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000565229386	531181305	/nfs/dbraw/zinc/18/13/05/531181305.db2.gz	MQBDFVFQQHGEIV-CYBMUJFWSA-N	0	1	386.499	0.203	20	30		GCEDMN
C=CC1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[n-]n3)CC2)CC1	ZINC000735402999	598704317	/nfs/dbraw/zinc/70/43/17/598704317.db2.gz	MTFXCNXFWGWXEZ-UHFFFAOYSA-N	0	1	386.460	0.710	20	30		GCEDMN
CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)CCCC#N	ZINC000736767857	598709233	/nfs/dbraw/zinc/70/92/33/598709233.db2.gz	STDPZTUHVHCLJF-UHFFFAOYSA-N	0	1	377.474	0.864	20	30		GCEDMN
N#CCCCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000737686657	598709839	/nfs/dbraw/zinc/70/98/39/598709839.db2.gz	KXWFASZPMPXASK-UHFFFAOYSA-N	0	1	392.445	0.488	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000830776963	601802149	/nfs/dbraw/zinc/80/21/49/601802149.db2.gz	FLCJPXXUQYBFND-UHFFFAOYSA-N	0	1	377.430	0.450	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)CC2)o1	ZINC000832994037	604743741	/nfs/dbraw/zinc/74/37/41/604743741.db2.gz	FOZKNZQDHAJASO-LBPRGKRZSA-N	0	1	375.429	0.688	20	30		GCEDMN
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=O	ZINC000833379941	604862858	/nfs/dbraw/zinc/86/28/58/604862858.db2.gz	QTKXEVCGCOEJPX-AWEZNQCLSA-N	0	1	392.456	0.324	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)CC1	ZINC000833466714	605042248	/nfs/dbraw/zinc/04/22/48/605042248.db2.gz	MHHBUYSANHHBSX-IRXDYDNUSA-N	0	1	380.489	0.634	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c1	ZINC000833376434	605060856	/nfs/dbraw/zinc/06/08/56/605060856.db2.gz	FMQLKCCUZLYMFV-CQSZACIVSA-N	0	1	395.481	0.772	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c1	ZINC000833376434	605060860	/nfs/dbraw/zinc/06/08/60/605060860.db2.gz	FMQLKCCUZLYMFV-CQSZACIVSA-N	0	1	395.481	0.772	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)CC1	ZINC000833466460	605193129	/nfs/dbraw/zinc/19/31/29/605193129.db2.gz	GNIXXQQXDYKUNU-IAGOWNOFSA-N	0	1	379.505	0.160	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)cc1	ZINC000833376727	605203366	/nfs/dbraw/zinc/20/33/66/605203366.db2.gz	QOWBYDNJTDKNAB-CQSZACIVSA-N	0	1	395.481	0.772	20	30		GCEDMN
C=CCCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1	ZINC000819733899	606236146	/nfs/dbraw/zinc/23/61/46/606236146.db2.gz	FCBRPZSTVUIQRK-UHFFFAOYSA-N	0	1	389.416	0.711	20	30		GCEDMN
N#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(OC(F)(F)F)cc1	ZINC000822801187	607216281	/nfs/dbraw/zinc/21/62/81/607216281.db2.gz	GGDOOQVWICSWQH-JTQLQIEISA-N	0	1	393.289	0.738	20	30		GCEDMN
N#Cc1ccccc1N1CCC(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1	ZINC000822842489	607219759	/nfs/dbraw/zinc/21/97/59/607219759.db2.gz	KSDFUOZFYFKWGK-UHFFFAOYSA-N	0	1	378.400	0.115	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(C#N)cc2)c1-c1nnn[n-]1	ZINC000826077910	608021493	/nfs/dbraw/zinc/02/14/93/608021493.db2.gz	ZZFWMZBIPUZMIP-UHFFFAOYSA-N	0	1	381.400	0.631	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(C#N)cc2)c1-c1nn[n-]n1	ZINC000826077910	608021494	/nfs/dbraw/zinc/02/14/94/608021494.db2.gz	ZZFWMZBIPUZMIP-UHFFFAOYSA-N	0	1	381.400	0.631	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N=NC(CNS(C)(=O)=O)c2ccccc2)o1	ZINC000826322903	608318753	/nfs/dbraw/zinc/31/87/53/608318753.db2.gz	GNPHHUWWCQVOQL-UHFFFAOYSA-N	0	1	376.402	0.529	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NC[C@H]1CCN(c2ccccc2)C1	ZINC000826382677	609174862	/nfs/dbraw/zinc/17/48/62/609174862.db2.gz	PUJCVUDXBAYXLP-GFCCVEGCSA-N	0	1	392.427	0.160	20	30		GCEDMN
CN(C)CC#CCNC(=O)CNC(=O)c1ccccc1I	ZINC000913515013	639580472	/nfs/dbraw/zinc/58/04/72/639580472.db2.gz	FNQIZMDPDIJROF-UHFFFAOYSA-N	0	1	399.232	0.702	20	30		GCEDMN
C[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1	ZINC000763369322	640626463	/nfs/dbraw/zinc/62/64/63/640626463.db2.gz	FQVRYEGXJUVMBD-JTQLQIEISA-N	0	1	384.845	0.805	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cccc(Cl)c2Cl)c(=O)n(C)c1=O	ZINC000771891021	640835052	/nfs/dbraw/zinc/83/50/52/640835052.db2.gz	QXGFUQPLVOKVKE-UHFFFAOYSA-N	0	1	391.236	0.703	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCc3c2cccc3Cl)c(=O)n(C)c1=O	ZINC000771892077	640835159	/nfs/dbraw/zinc/83/51/59/640835159.db2.gz	XLOJBEBBEVBBLZ-UHFFFAOYSA-N	0	1	382.829	0.366	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)c(Cl)c1	ZINC000771898801	640836105	/nfs/dbraw/zinc/83/61/05/640836105.db2.gz	SILLVPKVTWYPMV-UHFFFAOYSA-N	0	1	388.808	0.579	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=CCSCc2ccccc2)c(=O)n(C)c1=O	ZINC000774394251	640889251	/nfs/dbraw/zinc/88/92/51/640889251.db2.gz	MXFWAVYGXOSCFM-UHFFFAOYSA-N	0	1	382.467	0.282	20	30		GCEDMN
C=C(Br)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1	ZINC000786625904	641335042	/nfs/dbraw/zinc/33/50/42/641335042.db2.gz	HMVMRSAOEGLCKN-ZDUSSCGKSA-N	0	1	375.311	0.399	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1csc(Cl)c1	ZINC000787162542	641346120	/nfs/dbraw/zinc/34/61/20/641346120.db2.gz	LPRRLBHIZPCFPN-UHFFFAOYSA-N	0	1	376.847	0.501	20	30		GCEDMN
C#CCNC(=O)CCN1CCN(c2ncc(I)cn2)CC1	ZINC000879204480	641608915	/nfs/dbraw/zinc/60/89/15/641608915.db2.gz	GUMWFGQBXSHHSH-UHFFFAOYSA-N	0	1	399.236	0.343	20	30		GCEDMN
C#CC[C@@H](CO)NS(=O)(=O)c1sc(C(=O)OC)cc1Br	ZINC000882341984	641712409	/nfs/dbraw/zinc/71/24/09/641712409.db2.gz	TYQRDRXBXTXKLJ-ZETCQYMHSA-N	0	1	382.257	0.960	20	30		GCEDMN
COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cc(F)ccc1F	ZINC000800044193	641765277	/nfs/dbraw/zinc/76/52/77/641765277.db2.gz	WZOYPASGWRALOO-GWCFXTLKSA-N	0	1	375.353	0.238	20	30		GCEDMN
N#Cc1sc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H](O)C2)nc1Cl	ZINC001044749160	642076052	/nfs/dbraw/zinc/07/60/52/642076052.db2.gz	LMRBNGSRUUCDSM-OYBPUVFXSA-N	0	1	378.845	0.861	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000834495714	642213408	/nfs/dbraw/zinc/21/34/08/642213408.db2.gz	YJXZFPIBHXBPRK-CABZTGNLSA-N	0	1	376.360	0.211	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br	ZINC000834488561	642213472	/nfs/dbraw/zinc/21/34/72/642213472.db2.gz	DNGNVPGXJZFXII-RNCFNFMXSA-N	0	1	383.221	0.936	20	30		GCEDMN
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834500119	642213530	/nfs/dbraw/zinc/21/35/30/642213530.db2.gz	QJJOSDGTFMLKEU-IINYFYTJSA-N	0	1	386.861	0.106	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br	ZINC000834488563	642213578	/nfs/dbraw/zinc/21/35/78/642213578.db2.gz	DNGNVPGXJZFXII-ZANVPECISA-N	0	1	383.221	0.936	20	30		GCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000834501081	642213820	/nfs/dbraw/zinc/21/38/20/642213820.db2.gz	ZHIFUUCZJRSMQL-KKFJDGPESA-N	0	1	391.225	0.661	20	30		GCEDMN
Cc1c(C(=O)N[C@H]2CNC[C@H]2C#N)cc(Br)cc1S(N)(=O)=O	ZINC000834501176	642213826	/nfs/dbraw/zinc/21/38/26/642213826.db2.gz	ZZHOXZNCANDNBM-KCJUWKMLSA-N	0	1	387.259	0.246	20	30		GCEDMN
Cc1c(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc(Br)cc1S(N)(=O)=O	ZINC000834501175	642213953	/nfs/dbraw/zinc/21/39/53/642213953.db2.gz	ZZHOXZNCANDNBM-GZMMTYOYSA-N	0	1	387.259	0.246	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000834511095	642213975	/nfs/dbraw/zinc/21/39/75/642213975.db2.gz	IJKZUURZGQURNK-QPUJVOFHSA-N	0	1	377.198	0.273	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000834511090	642214059	/nfs/dbraw/zinc/21/40/59/642214059.db2.gz	IJKZUURZGQURNK-PELKAZGASA-N	0	1	377.198	0.273	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000834506180	642214110	/nfs/dbraw/zinc/21/41/10/642214110.db2.gz	QGWHUDGZSISLIY-JSGCOSHPSA-N	0	1	382.873	0.966	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000834521948	642214591	/nfs/dbraw/zinc/21/45/91/642214591.db2.gz	ZWDHMQXFYIIKGS-NOZJJQNGSA-N	0	1	376.214	0.387	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1	ZINC000841258392	642292958	/nfs/dbraw/zinc/29/29/58/642292958.db2.gz	LARFQYMEKOVCSC-PWSUYJOCSA-N	0	1	395.261	0.914	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000843460816	642370226	/nfs/dbraw/zinc/37/02/26/642370226.db2.gz	QRCRABBTHSNTSN-MNOVXSKESA-N	0	1	377.451	0.139	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O	ZINC000843464008	642370869	/nfs/dbraw/zinc/37/08/69/642370869.db2.gz	YXBBZMORUHFDCB-RNCFNFMXSA-N	0	1	391.225	0.663	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1	ZINC000843461855	642371048	/nfs/dbraw/zinc/37/10/48/642371048.db2.gz	NSGDMXIDKVFMTA-WCQYABFASA-N	0	1	386.271	0.592	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848957685	642568524	/nfs/dbraw/zinc/56/85/24/642568524.db2.gz	NMEVLNDYDBGSBJ-UHFFFAOYSA-N	0	1	380.879	0.547	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(OC)ncn1	ZINC000848960297	642581007	/nfs/dbraw/zinc/58/10/07/642581007.db2.gz	AHIGFYIGCOZILH-UHFFFAOYSA-N	0	1	390.487	0.290	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848961146	642584615	/nfs/dbraw/zinc/58/46/15/642584615.db2.gz	QMZKWTBKOVVQDZ-JTQLQIEISA-N	0	1	380.879	0.545	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(C)ccc1OC	ZINC000848961917	642587548	/nfs/dbraw/zinc/58/75/48/642587548.db2.gz	UGFWLPIKUOWFHW-UHFFFAOYSA-N	0	1	375.472	0.425	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc(C)ccc1OC	ZINC000848964910	642601512	/nfs/dbraw/zinc/60/15/12/642601512.db2.gz	GJUKAWDAXGKZJU-LLVKDONJSA-N	0	1	375.472	0.472	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848968269	642614605	/nfs/dbraw/zinc/61/46/05/642614605.db2.gz	QHKLMJBVFMDGEU-JTQLQIEISA-N	0	1	380.879	0.593	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1ccn(C)n1	ZINC000848969169	642618148	/nfs/dbraw/zinc/61/81/48/642618148.db2.gz	BAWOMNFMWMZNSU-UHFFFAOYSA-N	0	1	376.504	0.615	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cc[nH]n1	ZINC000278849298	1192186953	/nfs/dbraw/zinc/18/69/53/1192186953.db2.gz	WLIIGRDHTBFTOX-DPKBRMNASA-N	0	1	377.405	0.812	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000662166807	1192250788	/nfs/dbraw/zinc/25/07/88/1192250788.db2.gz	HKOPHYCLUOGEMP-CYBMUJFWSA-N	0	1	381.477	0.313	20	30		GCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000662166665	1192251122	/nfs/dbraw/zinc/25/11/22/1192251122.db2.gz	CFFUXPHVWUNRKC-HUUCEWRRSA-N	0	1	397.497	0.479	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000662168202	1192251930	/nfs/dbraw/zinc/25/19/30/1192251930.db2.gz	XMZLQCRAXSETGX-MRXNPFEDSA-N	0	1	381.498	0.614	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCO[C@@H]1c1cccnc1)c1ccn[nH]1	ZINC000278859258	1192260404	/nfs/dbraw/zinc/26/04/04/1192260404.db2.gz	XAJKEXWIMBBVLY-IEMOQGEZSA-N	0	1	387.396	0.735	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](Cn2ccnn2)C1)c1cc[nH]n1	ZINC000278887390	1192330615	/nfs/dbraw/zinc/33/06/15/1192330615.db2.gz	ZBCXJANHKOIYOJ-JEEMYIIMSA-N	0	1	389.416	0.224	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1)c1cc[nH]n1	ZINC000279815223	1192607701	/nfs/dbraw/zinc/60/77/01/1192607701.db2.gz	DHUDGVKHMNQXQS-PSHXDBNLSA-N	0	1	380.401	0.100	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)CN1	ZINC000418860068	1192670871	/nfs/dbraw/zinc/67/08/71/1192670871.db2.gz	ZGASPUUNVCYSCX-YCPHGPKFSA-N	0	1	387.459	0.991	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418908834	1192686952	/nfs/dbraw/zinc/68/69/52/1192686952.db2.gz	NKLCABJJSXINEQ-ROUUACIJSA-N	0	1	397.479	0.770	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H](O)C2)CC1	ZINC000969300339	1184246689	/nfs/dbraw/zinc/24/66/89/1184246689.db2.gz	MJNYKYYCXISHMA-TVFCKZIOSA-N	0	1	375.513	0.702	20	30		GCEDMN
C[C@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nn[nH]n1	ZINC000274777306	1184297687	/nfs/dbraw/zinc/29/76/87/1184297687.db2.gz	NAYBTNASQOGULY-MNOVXSKESA-N	0	1	377.430	0.000	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](O)C1	ZINC000970041246	1184496559	/nfs/dbraw/zinc/49/65/59/1184496559.db2.gz	RXWPCDDPYPCJFE-DNMXQMFDSA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1	ZINC000970074429	1184509358	/nfs/dbraw/zinc/50/93/58/1184509358.db2.gz	DZINFIJFRUHDNR-ZMMAXQRCSA-N	0	1	379.501	0.387	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000430409214	1184681137	/nfs/dbraw/zinc/68/11/37/1184681137.db2.gz	MTQNWXABTGVCFM-JFIYKMOQSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1	ZINC000430418795	1184702149	/nfs/dbraw/zinc/70/21/49/1184702149.db2.gz	QDFZQLPLOUEVQJ-ROUUACIJSA-N	0	1	379.501	0.655	20	30		GCEDMN
Cc1cc(C)n(C[C@H]2CN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)CCO2)n1	ZINC000328663089	1184718003	/nfs/dbraw/zinc/71/80/03/1184718003.db2.gz	AXTDYUASBFNQOW-HZPDHXFCSA-N	0	1	399.517	0.539	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)cc3c[nH]nc32)C[C@@H]1O	ZINC000970702373	1184974454	/nfs/dbraw/zinc/97/44/54/1184974454.db2.gz	PWWHKQJTGVJYGP-SIXLDLHFSA-N	0	1	384.436	0.764	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2sccc2CN(C)C)C[C@@H]1O	ZINC000970706696	1184977913	/nfs/dbraw/zinc/97/79/13/1184977913.db2.gz	LPNAKJOQJMOECC-WCVJEAGWSA-N	0	1	393.509	0.702	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ncc1C#N	ZINC000580568398	1185277778	/nfs/dbraw/zinc/27/77/78/1185277778.db2.gz	FILSPPREMYWOJP-ZWKOTPCHSA-N	0	1	393.447	0.952	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](Cn4ccnn4)C3)CC2)o1	ZINC000119223387	1185285741	/nfs/dbraw/zinc/28/57/41/1185285741.db2.gz	PTLJGADLPSCBAB-MRXNPFEDSA-N	0	1	398.471	0.507	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3[C@H]2C(=O)[O-])c1	ZINC000580789040	1185362531	/nfs/dbraw/zinc/36/25/31/1185362531.db2.gz	YCUSGUMQDFOEHA-CVEARBPZSA-N	0	1	393.465	0.524	20	30		GCEDMN
C#CCN(C(=O)C(=O)NCCc1c(F)cc([O-])cc1F)C1CC[NH+](C)CC1	ZINC000933111620	1185543204	/nfs/dbraw/zinc/54/32/04/1185543204.db2.gz	LLDWWKXPQHTTMZ-UHFFFAOYSA-N	0	1	379.407	0.885	20	30		GCEDMN
N#Cc1ccc(N2CCN(C(=O)NCc3n[nH]c(C4CCOCC4)n3)CC2)nc1	ZINC001687276401	1185640455	/nfs/dbraw/zinc/64/04/55/1185640455.db2.gz	DEOFQDVZZVRJRY-UHFFFAOYSA-N	0	1	396.455	0.997	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c1cc[nH]n1	ZINC000276516991	1185857784	/nfs/dbraw/zinc/85/77/84/1185857784.db2.gz	BXIMRQFQLDKPHT-CSUZIONRSA-N	0	1	399.407	0.393	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCC[C@@H]1c1ncon1)c1cc[nH]n1	ZINC000276524654	1185863842	/nfs/dbraw/zinc/86/38/42/1185863842.db2.gz	DBGJGOOMZOGARO-JITPHZTJSA-N	0	1	376.373	0.830	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCC(C(=O)NC)CC1)c1ccn[nH]1	ZINC000276531250	1185870582	/nfs/dbraw/zinc/87/05/82/1185870582.db2.gz	DWRCKUZBNPSWIU-PXLXIMEGSA-N	0	1	379.417	0.115	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F)c1cc[nH]n1	ZINC000276544454	1185882548	/nfs/dbraw/zinc/88/25/48/1185882548.db2.gz	GRYMIEJJDLVOIT-CJFZCAJCSA-N	0	1	392.334	0.608	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@](C)(O)c1ccsc1)c1ccn[nH]1	ZINC000276559627	1185900109	/nfs/dbraw/zinc/90/01/09/1185900109.db2.gz	IWNVNPKUBSCPLQ-RZKQZQCBSA-N	0	1	380.426	0.779	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCS(=O)(=O)C(C)(C)C)c1ccn[nH]1	ZINC000276582970	1185915382	/nfs/dbraw/zinc/91/53/82/1185915382.db2.gz	LUSBXAQSCYMVGS-CPNJWEJPSA-N	0	1	388.446	0.023	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)c1cc[nH]n1	ZINC000276695225	1185972617	/nfs/dbraw/zinc/97/26/17/1185972617.db2.gz	QMCNOJQPGJAQDQ-WRGUXLKQSA-N	0	1	395.460	0.309	20	30		GCEDMN
COC1CCN(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1	ZINC000610573105	1186014887	/nfs/dbraw/zinc/01/48/87/1186014887.db2.gz	YXELNLWTGAXTIT-UHFFFAOYSA-N	0	1	394.497	0.638	20	30		GCEDMN
Cc1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)cc1S(=O)(=O)NCC#N	ZINC000610580156	1186037491	/nfs/dbraw/zinc/03/74/91/1186037491.db2.gz	SCHQWIHUDQQLED-UHFFFAOYSA-N	0	1	388.453	0.935	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000247530846	1186167399	/nfs/dbraw/zinc/16/73/99/1186167399.db2.gz	ZWEQGMTYYNWKQG-CVEARBPZSA-N	0	1	386.504	0.204	20	30		GCEDMN
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C#CCN1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@H]32)CC1	ZINC000972606346	1187035100	/nfs/dbraw/zinc/03/51/00/1187035100.db2.gz	XWAHFGNENMOODL-KEDMDAKRSA-N	0	1	397.519	0.814	20	30		GCEDMN
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C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC001024376630	1187367296	/nfs/dbraw/zinc/36/72/96/1187367296.db2.gz	UDEIXNZMTFGGMY-PSBWJHGTSA-N	0	1	378.432	0.425	20	30		GCEDMN
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CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)[C@@H]2C1	ZINC000580413510	1187682951	/nfs/dbraw/zinc/68/29/51/1187682951.db2.gz	OTMGAOYPKJRESE-CRAIPNDOSA-N	0	1	382.468	0.154	20	30		GCEDMN
C[C@@]1(c2ccc(CNCc3cnc4c(C#N)cnn4c3)cc2)NC(=O)NC1=O	ZINC000581655111	1187718906	/nfs/dbraw/zinc/71/89/06/1187718906.db2.gz	SRJGCSVAACBXTQ-IBGZPJMESA-N	0	1	375.392	0.945	20	30		GCEDMN
Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1C#N	ZINC000415327435	1188036209	/nfs/dbraw/zinc/03/62/09/1188036209.db2.gz	JBAYPBHETDPWIZ-HNNXBMFYSA-N	0	1	383.452	0.476	20	30		GCEDMN
O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCC2(CC1)CC(=O)C=CO2	ZINC000893054785	1188125723	/nfs/dbraw/zinc/12/57/23/1188125723.db2.gz	ZYGSBJOJOIVMBY-QGZVFWFLSA-N	0	1	392.500	0.440	20	30		GCEDMN
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CN1C1CC1	ZINC000377893749	1188164906	/nfs/dbraw/zinc/16/49/06/1188164906.db2.gz	IXZULEVNLPEJDO-STQMWFEESA-N	0	1	379.424	0.819	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000976913515	1190071916	/nfs/dbraw/zinc/07/19/16/1190071916.db2.gz	PGAUFVRWZMYUCL-VIGUEYCZSA-N	0	1	383.492	0.328	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1	ZINC000509782587	1193755508	/nfs/dbraw/zinc/75/55/08/1193755508.db2.gz	NJMWPHZVYNZHFF-HNNXBMFYSA-N	0	1	378.458	0.785	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1(CC(=O)OC)CCCC1)c1ccn[nH]1	ZINC000280118794	1193976223	/nfs/dbraw/zinc/97/62/23/1193976223.db2.gz	SAGWPJFNXWCESK-RCCKNPSSSA-N	0	1	380.401	0.686	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H](C)N1	ZINC000419734394	1194090398	/nfs/dbraw/zinc/09/03/98/1194090398.db2.gz	QUSQNCNLDKHUNQ-JCAIJIATSA-N	0	1	385.468	0.968	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H](C)N1	ZINC000419734393	1194090498	/nfs/dbraw/zinc/09/04/98/1194090498.db2.gz	QUSQNCNLDKHUNQ-CBHXASLJSA-N	0	1	385.468	0.968	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@@H](C)N1	ZINC000419734395	1194090594	/nfs/dbraw/zinc/09/05/94/1194090594.db2.gz	QUSQNCNLDKHUNQ-QBBMROGASA-N	0	1	385.468	0.968	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](OCC)C1	ZINC000982960379	1194227072	/nfs/dbraw/zinc/22/70/72/1194227072.db2.gz	CYINQTQKIAJVJN-LUYZLQTOSA-N	0	1	377.445	0.379	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)NC[C@@H]2CN(C)CCN2C)c(C#N)cn1CC	ZINC000421163512	1194300603	/nfs/dbraw/zinc/30/06/03/1194300603.db2.gz	IGZOUSPLTPLQQN-CQSZACIVSA-N	0	1	376.461	0.924	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCN2C)c(C#N)cn1CC	ZINC000421213036	1194306333	/nfs/dbraw/zinc/30/63/33/1194306333.db2.gz	LGQNEYRWUYNZQW-CYBMUJFWSA-N	0	1	375.429	0.705	20	30		GCEDMN
CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(CCC#N)CCC#N)cc1	ZINC000271829303	1194416041	/nfs/dbraw/zinc/41/60/41/1194416041.db2.gz	RJXXVNKIJPAFED-CQSZACIVSA-N	0	1	377.470	0.901	20	30		GCEDMN
CCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000422312440	1194617249	/nfs/dbraw/zinc/61/72/49/1194617249.db2.gz	SHXOTCXAJFFBND-HOTGVXAUSA-N	0	1	387.459	0.993	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1	ZINC000423129320	1194729658	/nfs/dbraw/zinc/72/96/58/1194729658.db2.gz	QZPTWDMIOUXGLA-CYBMUJFWSA-N	0	1	398.423	0.275	20	30		GCEDMN
N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C[C@]12C(=O)Nc1ccccc12	ZINC000423557050	1194763282	/nfs/dbraw/zinc/76/32/82/1194763282.db2.gz	HNXAWOMZYGGHCC-HFZMZTSTSA-N	0	1	393.447	0.211	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@H](C)N1	ZINC000423555722	1194766376	/nfs/dbraw/zinc/76/63/76/1194766376.db2.gz	GGNWTQABLOVYOS-PCRRDVQSSA-N	0	1	381.436	0.067	20	30		GCEDMN
C=CCn1cc(CNC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)nn1	ZINC000424907868	1194832557	/nfs/dbraw/zinc/83/25/57/1194832557.db2.gz	LMRQKNNJFKYPON-UHFFFAOYSA-N	0	1	395.441	0.783	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)ncc1C#N	ZINC000517392441	1195177784	/nfs/dbraw/zinc/17/77/84/1195177784.db2.gz	ZKJSUQWTJIEBEK-UHFFFAOYSA-N	0	1	393.451	0.663	20	30		GCEDMN
CC(=O)[C@@H](C)N1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270294109	1195181131	/nfs/dbraw/zinc/18/11/31/1195181131.db2.gz	WOVSXYMVDYVKIK-OCCSQVGLSA-N	0	1	375.450	0.848	20	30		GCEDMN
CC(=O)[C@H](C)N1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270294108	1195181333	/nfs/dbraw/zinc/18/13/33/1195181333.db2.gz	WOVSXYMVDYVKIK-JSGCOSHPSA-N	0	1	375.450	0.848	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1=O	ZINC000517817979	1195220764	/nfs/dbraw/zinc/22/07/64/1195220764.db2.gz	MLKYTPFEFSHRJQ-AWEZNQCLSA-N	0	1	376.388	0.521	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1(COC)CCOCC1)c1ccn[nH]1	ZINC000293671696	1195233058	/nfs/dbraw/zinc/23/30/58/1195233058.db2.gz	NROCFLHSSDYGEG-RCCKNPSSSA-N	0	1	382.417	0.253	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)C1=O	ZINC000506355225	1195246910	/nfs/dbraw/zinc/24/69/10/1195246910.db2.gz	LOSYRLCPACQQOT-ZDUSSCGKSA-N	0	1	382.380	0.182	20	30		GCEDMN
N#Cc1ccc(NC(=O)CS(=O)(=O)C2N=NC(=O)N2C[C@H]2CCCO2)cc1	ZINC000518158897	1195256620	/nfs/dbraw/zinc/25/66/20/1195256620.db2.gz	HBEHDRLZCFEASJ-CYBMUJFWSA-N	0	1	391.409	0.447	20	30		GCEDMN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1	ZINC000440354775	1195409946	/nfs/dbraw/zinc/40/99/46/1195409946.db2.gz	LPEHZDYWTAQIPR-KRWDZBQOSA-N	0	1	376.482	0.532	20	30		GCEDMN
CC[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)C(=O)N1CCOCC1	ZINC000328754291	1195663758	/nfs/dbraw/zinc/66/37/58/1195663758.db2.gz	SLHXLHIJEZCJIV-SJORKVTESA-N	0	1	382.505	0.582	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)cn2)CC1	ZINC000328821402	1195666981	/nfs/dbraw/zinc/66/69/81/1195666981.db2.gz	OXRNEFSNUNYADP-OAHLLOKOSA-N	0	1	381.502	0.414	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)cn2)CC1	ZINC000328821401	1195667046	/nfs/dbraw/zinc/66/70/46/1195667046.db2.gz	OXRNEFSNUNYADP-HNNXBMFYSA-N	0	1	381.502	0.414	20	30		GCEDMN
CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1	ZINC000328797481	1195668339	/nfs/dbraw/zinc/66/83/39/1195668339.db2.gz	FFIYYICMDQIKGC-OAHLLOKOSA-N	0	1	388.534	0.369	20	30		GCEDMN
CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC(CN3CCOCC3)CC2)C1	ZINC000328839209	1195669691	/nfs/dbraw/zinc/66/96/91/1195669691.db2.gz	YOORGYQUKHSTEB-INIZCTEOSA-N	0	1	388.534	0.226	20	30		GCEDMN
CNC(=O)[C@H]1CCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000330443644	1195691156	/nfs/dbraw/zinc/69/11/56/1195691156.db2.gz	WJQJHFRGKXOPTC-OAHLLOKOSA-N	0	1	381.521	0.738	20	30		GCEDMN
CC(C)N1CCO[C@H](CN2CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)C1	ZINC000330652015	1195698688	/nfs/dbraw/zinc/69/86/88/1195698688.db2.gz	LCBHOUZIMSKYRR-IAGOWNOFSA-N	0	1	397.564	0.930	20	30		GCEDMN
CC(=O)N[C@H](C)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000331101096	1195719380	/nfs/dbraw/zinc/71/93/80/1195719380.db2.gz	DEOKDZYKWHZURH-VQIMIIECSA-N	0	1	377.533	0.915	20	30		GCEDMN
CC(=O)N[C@@H](C)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000331101095	1195719489	/nfs/dbraw/zinc/71/94/89/1195719489.db2.gz	DEOKDZYKWHZURH-QFBILLFUSA-N	0	1	377.533	0.915	20	30		GCEDMN
CC[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC)cn2)CCN1C[C@H](C)O	ZINC000331175209	1195722804	/nfs/dbraw/zinc/72/28/04/1195722804.db2.gz	PIXNHKOBECGKER-STQMWFEESA-N	0	1	385.490	0.312	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1	ZINC000180707421	1195769972	/nfs/dbraw/zinc/76/99/72/1195769972.db2.gz	NOCNLUNCVNTHAH-FHWLQOOXSA-N	0	1	377.533	0.331	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1=O	ZINC000521559260	1196003455	/nfs/dbraw/zinc/00/34/55/1196003455.db2.gz	XPFQDAINMXYKOH-UHFFFAOYSA-N	0	1	386.343	0.204	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1=O	ZINC000521559260	1196003458	/nfs/dbraw/zinc/00/34/58/1196003458.db2.gz	XPFQDAINMXYKOH-UHFFFAOYSA-N	0	1	386.343	0.204	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN[C@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442794849	1196004728	/nfs/dbraw/zinc/00/47/28/1196004728.db2.gz	SOCZOGOGOGZLOX-ZFWWWQNUSA-N	0	1	396.488	0.555	20	30		GCEDMN
COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1	ZINC000442872058	1196007945	/nfs/dbraw/zinc/00/79/45/1196007945.db2.gz	IYCWDDFQQJZVNX-UHFFFAOYSA-N	0	1	389.389	0.967	20	30		GCEDMN
CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)ccc1C	ZINC000328993523	1196063621	/nfs/dbraw/zinc/06/36/21/1196063621.db2.gz	DVHKYTFXGARZLE-CVEARBPZSA-N	0	1	396.513	0.896	20	30		GCEDMN
CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@H]3CCN(C)C[C@H]32)ccc1C	ZINC000328993523	1196063624	/nfs/dbraw/zinc/06/36/24/1196063624.db2.gz	DVHKYTFXGARZLE-CVEARBPZSA-N	0	1	396.513	0.896	20	30		GCEDMN
CCC[C@@H]1CN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCN1CCOC	ZINC000329132408	1196166756	/nfs/dbraw/zinc/16/67/56/1196166756.db2.gz	PEYQRPWBAOFXOC-JKSUJKDBSA-N	0	1	390.550	0.757	20	30		GCEDMN
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](C)CN1CCN(C)CC1	ZINC000329152231	1196169783	/nfs/dbraw/zinc/16/97/83/1196169783.db2.gz	SXKSLIXJURRVRP-YOEHRIQHSA-N	0	1	378.521	0.960	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1	ZINC000896577601	1196170715	/nfs/dbraw/zinc/17/07/15/1196170715.db2.gz	QBSUZZLNBNXSGH-YOEHRIQHSA-N	0	1	380.514	0.515	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)C1=O	ZINC000329165050	1196171297	/nfs/dbraw/zinc/17/12/97/1196171297.db2.gz	HHNZBRJUEPKJRP-QGZVFWFLSA-N	0	1	398.467	0.833	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)C1=O	ZINC000329186811	1196173942	/nfs/dbraw/zinc/17/39/42/1196173942.db2.gz	PYRBRCXWPFJTKC-MRXNPFEDSA-N	0	1	384.436	0.934	20	30		GCEDMN
CN1CCN(c2cc(CNC(=O)N3CCCS(=O)(=O)CC3)ccn2)CC1	ZINC000329192617	1196174624	/nfs/dbraw/zinc/17/46/24/1196174624.db2.gz	QZDZVLXZEWNRAT-UHFFFAOYSA-N	0	1	381.502	0.368	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)Cc3ccc(-n4cnnn4)cc3)CC2)C1=O	ZINC000329201575	1196175286	/nfs/dbraw/zinc/17/52/86/1196175286.db2.gz	WOZVODZQXZABTH-QGZVFWFLSA-N	0	1	383.456	0.856	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)c3cccnc3N3CCOCC3)CC2)C1=O	ZINC000329203739	1196175671	/nfs/dbraw/zinc/17/56/71/1196175671.db2.gz	XISFRCIHSQRFIO-KRWDZBQOSA-N	0	1	387.484	0.918	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)NCc2cccc(CN3CCOCC3)c2)C1	ZINC000329221055	1196177510	/nfs/dbraw/zinc/17/75/10/1196177510.db2.gz	BUAQZBDWQPXYRI-LJQANCHMSA-N	0	1	375.517	0.768	20	30		GCEDMN
CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1	ZINC000329261318	1196181094	/nfs/dbraw/zinc/18/10/94/1196181094.db2.gz	AXBBOTMZRNTEDV-CHWSQXEVSA-N	0	1	384.506	0.644	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1C	ZINC000329341721	1196187337	/nfs/dbraw/zinc/18/73/37/1196187337.db2.gz	PCLMEIHQFNYQBC-IXDOHACOSA-N	0	1	381.521	0.968	20	30		GCEDMN
CNS(=O)(=O)C1CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1	ZINC000329358209	1196188918	/nfs/dbraw/zinc/18/89/18/1196188918.db2.gz	WXYOVVASVMHAIN-LBPRGKRZSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)CC2	ZINC000329388852	1196191882	/nfs/dbraw/zinc/19/18/82/1196191882.db2.gz	RNMZVLUUGIOEPN-ZIAGYGMSSA-N	0	1	398.533	0.986	20	30		GCEDMN
COCCN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1	ZINC000329641395	1196214455	/nfs/dbraw/zinc/21/44/55/1196214455.db2.gz	ZTLCEXMEACQSJR-HNNXBMFYSA-N	0	1	397.501	0.023	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CS(=O)(=O)c3ccccc31)CC2	ZINC000329678113	1196219783	/nfs/dbraw/zinc/21/97/83/1196219783.db2.gz	VJYIYJQLBDJTEF-DGCLKSJQSA-N	0	1	391.453	0.772	20	30		GCEDMN
N#CCCCOc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1	ZINC000522536249	1196221374	/nfs/dbraw/zinc/22/13/74/1196221374.db2.gz	DSWWECJMHUNUQW-MOPGFXCFSA-N	0	1	393.509	0.957	20	30		GCEDMN
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COCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](c3cnn(C)c3)C1)CC2	ZINC000329832539	1196233437	/nfs/dbraw/zinc/23/34/37/1196233437.db2.gz	KZLDTDZBIIWJOH-KGLIPLIRSA-N	0	1	375.433	0.460	20	30		GCEDMN
CCC(=O)N1CC[C@H](NC(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)C1	ZINC000330004648	1196245771	/nfs/dbraw/zinc/24/57/71/1196245771.db2.gz	BGSJGEFADUBAOF-ZWKOTPCHSA-N	0	1	395.548	0.638	20	30		GCEDMN
CCC(=O)N1CC[C@H](NC(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)C1	ZINC000330004646	1196245783	/nfs/dbraw/zinc/24/57/83/1196245783.db2.gz	BGSJGEFADUBAOF-ROUUACIJSA-N	0	1	395.548	0.638	20	30		GCEDMN
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C[C@H](CN1CCN(C)CC1)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000330094379	1196252188	/nfs/dbraw/zinc/25/21/88/1196252188.db2.gz	STHUSDUDURJXJG-KDOFPFPSSA-N	0	1	395.504	0.399	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1	ZINC000330123981	1196254430	/nfs/dbraw/zinc/25/44/30/1196254430.db2.gz	AYWAXBMFEZDCDG-QZTJIDSGSA-N	0	1	395.548	0.496	20	30		GCEDMN
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CN1CCN(C)[C@H](CNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1	ZINC000330258467	1196262083	/nfs/dbraw/zinc/26/20/83/1196262083.db2.gz	MLBMPCXQFYDIOK-OAHLLOKOSA-N	0	1	389.566	0.329	20	30		GCEDMN
Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CCO2)n[nH]1	ZINC000330306914	1196273349	/nfs/dbraw/zinc/27/33/49/1196273349.db2.gz	RUFFSXHICSVUEG-UWVGGRQHSA-N	0	1	376.339	0.564	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000281073935	1196275710	/nfs/dbraw/zinc/27/57/10/1196275710.db2.gz	NARDCVKAYDKXMV-UHFFFAOYSA-N	0	1	387.436	0.016	20	30		GCEDMN
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COC(=O)C[C@@H]1CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000441114864	1196675942	/nfs/dbraw/zinc/67/59/42/1196675942.db2.gz	IMTMNUPCERNRCV-AWEZNQCLSA-N	0	1	375.429	0.531	20	30		GCEDMN
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1	ZINC000429712818	1196692543	/nfs/dbraw/zinc/69/25/43/1196692543.db2.gz	CHATXLPUDJQNDA-INIZCTEOSA-N	0	1	397.545	0.929	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N=c1ccn(CCN(C)C)[nH]1	ZINC000526068303	1196737422	/nfs/dbraw/zinc/73/74/22/1196737422.db2.gz	WRELRCCMZDFTBZ-UHFFFAOYSA-N	0	1	379.428	0.693	20	30		GCEDMN
CN1C(=O)NC2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)C1=O	ZINC000528430225	1196858740	/nfs/dbraw/zinc/85/87/40/1196858740.db2.gz	DUJNDTPIYFBRKP-UHFFFAOYSA-N	0	1	380.404	0.302	20	30		GCEDMN
COCCO[C@H]1C[C@H](CO)CN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528481666	1196864468	/nfs/dbraw/zinc/86/44/68/1196864468.db2.gz	RJNAJNFOTFFRFQ-IRXDYDNUSA-N	0	1	386.448	0.632	20	30		GCEDMN
N#Cc1ncc(NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)cc1Cl	ZINC000528693670	1196879139	/nfs/dbraw/zinc/87/91/39/1196879139.db2.gz	JMLMDGMLEDBHFA-UHFFFAOYSA-N	0	1	377.836	0.781	20	30		GCEDMN
CCn1c(N)c(C(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)c(=O)[nH]c1=O	ZINC000528780449	1196887904	/nfs/dbraw/zinc/88/79/04/1196887904.db2.gz	CKPDYHMCEFVZIT-UHFFFAOYSA-N	0	1	397.435	0.901	20	30		GCEDMN
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@@H]2COCCN2)CC1	ZINC000529384063	1196919407	/nfs/dbraw/zinc/91/94/07/1196919407.db2.gz	YBOVSTHXQNJKRS-MRXNPFEDSA-N	0	1	380.452	0.926	20	30		GCEDMN
Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)CN3CCN(C)CC3)CC2)c1C#N	ZINC000530460836	1196989841	/nfs/dbraw/zinc/98/98/41/1196989841.db2.gz	NAKGPNNAEDDECM-OAHLLOKOSA-N	0	1	388.520	0.068	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1	ZINC000189878971	1197238543	/nfs/dbraw/zinc/23/85/43/1197238543.db2.gz	YJRKOALZVHTYBB-MSOLQXFVSA-N	0	1	379.549	0.456	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)[C@H](C)C2)CC1	ZINC000189878971	1197238548	/nfs/dbraw/zinc/23/85/48/1197238548.db2.gz	YJRKOALZVHTYBB-MSOLQXFVSA-N	0	1	379.549	0.456	20	30		GCEDMN
CC(C)c1ccc(CC=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000760247641	1197252412	/nfs/dbraw/zinc/25/24/12/1197252412.db2.gz	ZDUXZQKBEFTXBT-UHFFFAOYSA-N	0	1	378.454	0.714	20	30		GCEDMN
C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1CN1CCSCC1	ZINC000271940009	1197559652	/nfs/dbraw/zinc/55/96/52/1197559652.db2.gz	AMHCOWWJPGWTFX-UHFFFAOYSA-N	0	1	376.482	0.592	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(C)n2)C3)CC1	ZINC001002888434	1199332654	/nfs/dbraw/zinc/33/26/54/1199332654.db2.gz	POIHSNVFTLGFMU-QRQLOZEOSA-N	0	1	381.480	0.992	20	30		GCEDMN
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CN(CC(=O)N1CCN2CCCC[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000328917180	1199827489	/nfs/dbraw/zinc/82/74/89/1199827489.db2.gz	RQCVWWUOMFYVNU-MRXNPFEDSA-N	0	1	376.482	0.875	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2[nH]ncc2F)[C@H](OC)C1	ZINC000946607174	1199884543	/nfs/dbraw/zinc/88/45/43/1199884543.db2.gz	ODAXFERKBJIDDX-DCDXPUDHSA-N	0	1	380.420	0.876	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@H](OC)C1	ZINC000946778746	1200067641	/nfs/dbraw/zinc/06/76/41/1200067641.db2.gz	WSSJTEFCDCYBSO-WCXIOVBPSA-N	0	1	379.501	0.651	20	30		GCEDMN
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N#CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc3ccccn3n2)CC1	ZINC000349572093	1200665229	/nfs/dbraw/zinc/66/52/29/1200665229.db2.gz	JRHRQCDFCXCRBX-UHFFFAOYSA-N	0	1	397.482	0.689	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)nn1CCC#N	ZINC000504040189	1200778809	/nfs/dbraw/zinc/77/88/09/1200778809.db2.gz	ASQTVTAFOWHCJT-INIZCTEOSA-N	0	1	388.472	0.615	20	30		GCEDMN
CCCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCN(C)C1	ZINC000592300689	1200843913	/nfs/dbraw/zinc/84/39/13/1200843913.db2.gz	WSCKEGWPKDKTJW-KRWDZBQOSA-N	0	1	395.467	1.079	20	30		GCEDMN
CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000503138530	1200920998	/nfs/dbraw/zinc/92/09/98/1200920998.db2.gz	KNPPFKNBACGRIN-OLZOCXBDSA-N	0	1	386.416	0.689	20	30		GCEDMN
COc1cncc(NC(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1	ZINC000593723461	1201028758	/nfs/dbraw/zinc/02/87/58/1201028758.db2.gz	NNOWYUGEAIARFO-UHFFFAOYSA-N	0	1	394.435	1.076	20	30		GCEDMN
CCOC(=O)C1CCN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000536343297	1201091499	/nfs/dbraw/zinc/09/14/99/1201091499.db2.gz	IQHYQCXBRXPRNZ-UHFFFAOYSA-N	0	1	376.461	0.530	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CCN(C2CCCC2)CC1	ZINC000582950309	1201097458	/nfs/dbraw/zinc/09/74/58/1201097458.db2.gz	YMECSJPMBDJIAE-UHFFFAOYSA-N	0	1	387.488	0.341	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000535548117	1201106778	/nfs/dbraw/zinc/10/67/78/1201106778.db2.gz	KUFKNFYQBURAJE-UHFFFAOYSA-N	0	1	399.455	0.306	20	30		GCEDMN
COC(=O)[C@H]1CC12CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2	ZINC000611371761	1201233376	/nfs/dbraw/zinc/23/33/76/1201233376.db2.gz	CDRYOOYQMUUTOG-SJORKVTESA-N	0	1	376.501	0.954	20	30		GCEDMN
COCCN(C(=O)CN[C@H](C)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000611388022	1201235837	/nfs/dbraw/zinc/23/58/37/1201235837.db2.gz	WCZQQPLONPAMEA-RHSMWYFYSA-N	0	1	379.482	0.871	20	30		GCEDMN
C=C(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1	ZINC001079143778	1201247076	/nfs/dbraw/zinc/24/70/76/1201247076.db2.gz	NCSLCTJUZLOIFM-AKHDSKFASA-N	0	1	387.480	0.669	20	30		GCEDMN
C#CCN1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]32)CC1	ZINC001079165210	1201248520	/nfs/dbraw/zinc/24/85/20/1201248520.db2.gz	JBQIUUZCZVEWMJ-SXJNSPEGSA-N	0	1	398.507	0.502	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C3CC3)n2)C[C@H]1OC	ZINC001082227289	1201329638	/nfs/dbraw/zinc/32/96/38/1201329638.db2.gz	ANIUUOXCLNYJCD-HWMZRRJGSA-N	0	1	375.473	0.979	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3ccn(C)c(=O)c3)C[C@@H]21	ZINC001083085385	1201382989	/nfs/dbraw/zinc/38/29/89/1201382989.db2.gz	OLPZFYUJKWNZHH-YDZRNGNQSA-N	0	1	387.480	0.778	20	30		GCEDMN
CC(C)(O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1	ZINC000730083007	1201432595	/nfs/dbraw/zinc/43/25/95/1201432595.db2.gz	JQACHAPJUOMQQX-UHFFFAOYSA-N	0	1	394.497	0.030	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1	ZINC000732444002	1201543481	/nfs/dbraw/zinc/54/34/81/1201543481.db2.gz	OKYBDOXRXLPMAD-UVTIVQHFSA-N	0	1	379.461	0.169	20	30		GCEDMN
CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000823226128	1201593546	/nfs/dbraw/zinc/59/35/46/1201593546.db2.gz	OWWDYAAADAGTNB-QGZVFWFLSA-N	0	1	385.468	0.877	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000735939207	1201705998	/nfs/dbraw/zinc/70/59/98/1201705998.db2.gz	ACBIAURYGTVVMV-ZDUSSCGKSA-N	0	1	393.465	0.549	20	30		GCEDMN
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CC(C)(O)CN1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000740759246	1201749188	/nfs/dbraw/zinc/74/91/88/1201749188.db2.gz	WBFBYVCRDCFCNL-FQEVSTJZSA-N	0	1	385.468	0.671	20	30		GCEDMN
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CCC[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000767123864	1201966838	/nfs/dbraw/zinc/96/68/38/1201966838.db2.gz	ULXKHCGRUPAHKL-RAJOGRCSSA-N	0	1	378.473	0.862	20	30		GCEDMN
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C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CCc1ccccc1)C2	ZINC001109726460	1202112714	/nfs/dbraw/zinc/11/27/14/1202112714.db2.gz	XDZPPHCHXDVRFG-AABGKKOBSA-N	0	1	382.508	0.632	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccn[nH]1	ZINC000770819126	1202114823	/nfs/dbraw/zinc/11/48/23/1202114823.db2.gz	KNSINFDMYZTRJQ-UHFFFAOYSA-N	0	1	384.356	0.512	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCSC[C@H]1C(=O)OCC)c1cc[nH]n1	ZINC000770823999	1202114952	/nfs/dbraw/zinc/11/49/52/1202114952.db2.gz	NLZKAAJERRMLNK-LBPRGKRZSA-N	0	1	398.441	0.201	20	30		GCEDMN
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1	ZINC001109762284	1202119383	/nfs/dbraw/zinc/11/93/83/1202119383.db2.gz	MAPWNZQFZLLAEX-IEAZIUSSSA-N	0	1	376.482	0.717	20	30		GCEDMN
COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCN(C)CC2)C1=O	ZINC000771466833	1202144613	/nfs/dbraw/zinc/14/46/13/1202144613.db2.gz	AASBMNZQNYCXKQ-LJQANCHMSA-N	0	1	399.451	0.566	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC(C)(C)Cc3occc32)c(=O)n(C)c1=O	ZINC000771889268	1202166255	/nfs/dbraw/zinc/16/62/55/1202166255.db2.gz	ADTGETAWYFPZPE-UHFFFAOYSA-N	0	1	380.426	0.332	20	30		GCEDMN
CC(C)C(Cc1ccc(F)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771896522	1202168337	/nfs/dbraw/zinc/16/83/37/1202168337.db2.gz	BHDJMMYPJCTMGS-UHFFFAOYSA-N	0	1	396.444	0.756	20	30		GCEDMN
CCCCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000771891040	1202168390	/nfs/dbraw/zinc/16/83/90/1202168390.db2.gz	RGFSRNKOIJJJOQ-UHFFFAOYSA-N	0	1	378.454	0.957	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000771892278	1202168456	/nfs/dbraw/zinc/16/84/56/1202168456.db2.gz	OZMZZCRFPJSXPO-UHFFFAOYSA-N	0	1	395.397	0.003	20	30		GCEDMN
COc1cccc2cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)oc21	ZINC000771892427	1202168525	/nfs/dbraw/zinc/16/85/25/1202168525.db2.gz	SFWLARLYXPQWMG-UHFFFAOYSA-N	0	1	392.393	0.151	20	30		GCEDMN
Cc1cccc(CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C2CC2)c1	ZINC000771890792	1202168569	/nfs/dbraw/zinc/16/85/69/1202168569.db2.gz	HXSABRZCYRRRRS-UHFFFAOYSA-N	0	1	390.465	0.679	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc2ccccc21	ZINC000771896515	1202168574	/nfs/dbraw/zinc/16/85/74/1202168574.db2.gz	AZHWUOQPYYCUBI-UHFFFAOYSA-N	0	1	386.433	0.940	20	30		GCEDMN
CCOc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771896498	1202168979	/nfs/dbraw/zinc/16/89/79/1202168979.db2.gz	AQGXGDPLWULSCW-UHFFFAOYSA-N	0	1	380.426	0.185	20	30		GCEDMN
Cc1[nH]c2ccccc2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771897507	1202169120	/nfs/dbraw/zinc/16/91/20/1202169120.db2.gz	OLRAABBXRYOPJX-UHFFFAOYSA-N	0	1	375.410	0.186	20	30		GCEDMN
CC(C)CO[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(C)C	ZINC000771897663	1202169161	/nfs/dbraw/zinc/16/91/61/1202169161.db2.gz	QBGXMIDUQZPTFL-ZDUSSCGKSA-N	0	1	386.474	0.189	20	30		GCEDMN
C#CCN1CCC(C(=O)OCCCN2C(=O)CS/C2=C/C(=O)OC)CC1	ZINC000772113329	1202174856	/nfs/dbraw/zinc/17/48/56/1202174856.db2.gz	LYUHRYCLVKRNKR-FOWTUZBSSA-N	0	1	380.466	0.855	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772114958	1202174924	/nfs/dbraw/zinc/17/49/24/1202174924.db2.gz	SATIPRFQIVBOFX-HOTGVXAUSA-N	0	1	384.498	0.203	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCN1Cc2ccccc2C1)c1ccn[nH]1	ZINC000772146570	1202175774	/nfs/dbraw/zinc/17/57/74/1202175774.db2.gz	SZAOCXXNWJJNPH-UHFFFAOYSA-N	0	1	385.424	0.826	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1nc(-c2ccccn2)n[nH]1)c1cc[nH]n1	ZINC000772149579	1202175973	/nfs/dbraw/zinc/17/59/73/1202175973.db2.gz	QKIJBUCADSDCIV-UHFFFAOYSA-N	0	1	384.356	0.512	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(OC)nc1OC)c1ccn[nH]1	ZINC000772151170	1202175995	/nfs/dbraw/zinc/17/59/95/1202175995.db2.gz	GQDPJWKJRFXQFE-UHFFFAOYSA-N	0	1	377.357	0.744	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1ccco1)c1cc[nH]n1	ZINC000772275717	1202178103	/nfs/dbraw/zinc/17/81/03/1202178103.db2.gz	KDYGQEGDIMUVLJ-CYBMUJFWSA-N	0	1	376.369	0.887	20	30		GCEDMN
CN(CCNC(=O)C(=O)NCCNc1ncccc1C#N)Cc1ccccc1	ZINC000787776356	1205402679	/nfs/dbraw/zinc/40/26/79/1205402679.db2.gz	UOAASKNHMSOAPD-UHFFFAOYSA-N	0	1	380.452	0.730	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCO1	ZINC000787849427	1205404601	/nfs/dbraw/zinc/40/46/01/1205404601.db2.gz	ABJRWBABAHFKCB-VQTJNVASSA-N	0	1	398.507	0.612	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)oc(=O)n2C)c1ccn[nH]1	ZINC000789974545	1205454385	/nfs/dbraw/zinc/45/43/85/1205454385.db2.gz	IYPVVLZRPASNQU-UHFFFAOYSA-N	0	1	387.352	0.777	20	30		GCEDMN
CCOC(=O)[C@H](C#N)Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1	ZINC001170378260	1205491927	/nfs/dbraw/zinc/49/19/27/1205491927.db2.gz	WDQHWZSDBLASQC-LBPRGKRZSA-N	0	1	382.377	0.289	20	30		GCEDMN
CC(C)O[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000793035668	1205495678	/nfs/dbraw/zinc/49/56/78/1205495678.db2.gz	ZDJQROZNYBKZIG-AWEZNQCLSA-N	0	1	394.453	0.514	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC(C)(C)C(=O)N1CCCC1)c1ccn[nH]1	ZINC000794397232	1205514256	/nfs/dbraw/zinc/51/42/56/1205514256.db2.gz	AIALUEWDJWOSQT-UHFFFAOYSA-N	0	1	379.417	0.211	20	30		GCEDMN
C#CCNc1nc(NCCc2cnccn2)nc(NCCc2cnccn2)n1	ZINC000804593686	1205518538	/nfs/dbraw/zinc/51/85/38/1205518538.db2.gz	DKIKGWZQBZAXLK-UHFFFAOYSA-N	0	1	376.428	0.806	20	30		GCEDMN
C#CCNc1nc(NC[C@]2(OC)CCOC2)nc(NC[C@]2(OC)CCOC2)n1	ZINC000804615827	1205519422	/nfs/dbraw/zinc/51/94/22/1205519422.db2.gz	CADOQMHYRIVXJZ-QZTJIDSGSA-N	0	1	392.460	0.352	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129849916	1205520906	/nfs/dbraw/zinc/52/09/06/1205520906.db2.gz	BJCUBEQLSDLBJW-HZMVEIRTSA-N	0	1	388.516	0.994	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@@H](n2ccnn2)C1	ZINC001130038108	1205530101	/nfs/dbraw/zinc/53/01/01/1205530101.db2.gz	LVCJPPHWYDIDNW-DFGXFYAUSA-N	0	1	390.488	0.125	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n[nH]1	ZINC000805851924	1205545066	/nfs/dbraw/zinc/54/50/66/1205545066.db2.gz	QUJHEFRSEXUMCQ-KRWDZBQOSA-N	0	1	394.435	0.377	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n[nH]1	ZINC000805846569	1205545635	/nfs/dbraw/zinc/54/56/35/1205545635.db2.gz	PSAHRQKLFNBCEC-QGZVFWFLSA-N	0	1	394.435	0.772	20	30		GCEDMN
Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@H]2NCC(=O)NCC#N)c1	ZINC001130596823	1205555095	/nfs/dbraw/zinc/55/50/95/1205555095.db2.gz	RPNKZMWSADFYCQ-OYNZLANYSA-N	0	1	396.495	0.546	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cn(C)cn1	ZINC001130680159	1205559637	/nfs/dbraw/zinc/55/96/37/1205559637.db2.gz	CRWYPENVRWLFAZ-XHHISWJOSA-N	0	1	387.484	0.174	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NCC)C1	ZINC001130680493	1205559647	/nfs/dbraw/zinc/55/96/47/1205559647.db2.gz	TVEGPLINAWTEND-WTTBNOFXSA-N	0	1	375.473	0.031	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NC(C)C)C1	ZINC001130675603	1205559908	/nfs/dbraw/zinc/55/99/08/1205559908.db2.gz	YAEQIGRJFWDTDI-ATLSCFEFSA-N	0	1	389.500	0.420	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#CCOC)C1	ZINC001131086366	1205594131	/nfs/dbraw/zinc/59/41/31/1205594131.db2.gz	OBUTVSDMRIPUFH-XFKSJGNHSA-N	0	1	386.496	0.935	20	30		GCEDMN
Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1NCC(=O)NCC#N	ZINC001131085999	1205594166	/nfs/dbraw/zinc/59/41/66/1205594166.db2.gz	BCJIJPFFRZPMTD-YLFCFFPRSA-N	0	1	384.484	0.380	20	30		GCEDMN
COc1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C	ZINC000807967158	1205594872	/nfs/dbraw/zinc/59/48/72/1205594872.db2.gz	OZHOJLZSNNICLG-UHFFFAOYSA-N	0	1	376.373	0.513	20	30		GCEDMN
O=C(CN=C1NS(=O)(=O)c2ccccc21)N[C@H](c1nn[nH]n1)c1ccccc1	ZINC000747469927	1205603981	/nfs/dbraw/zinc/60/39/81/1205603981.db2.gz	KVGUNUBUXNYRBQ-HNNXBMFYSA-N	0	1	397.420	0.144	20	30		GCEDMN
N#C[C@@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1cc2n(n1)CCO2	ZINC000810533406	1205639681	/nfs/dbraw/zinc/63/96/81/1205639681.db2.gz	YQDRTERFKBOKIW-SECBINFHSA-N	0	1	399.319	0.916	20	30		GCEDMN
N#CC(C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1cc2n(n1)CCO2	ZINC000810533406	1205639682	/nfs/dbraw/zinc/63/96/82/1205639682.db2.gz	YQDRTERFKBOKIW-SECBINFHSA-N	0	1	399.319	0.916	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1	ZINC000747818488	1205669005	/nfs/dbraw/zinc/66/90/05/1205669005.db2.gz	SVLATLSWDPEXNX-OAHLLOKOSA-N	0	1	378.473	0.137	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CCNC(C)=O)C1)c1cc[nH]n1	ZINC000813701703	1205679638	/nfs/dbraw/zinc/67/96/38/1205679638.db2.gz	MCARYSZADZQGNE-AWEZNQCLSA-N	0	1	393.444	0.458	20	30		GCEDMN
CC(=[NH+][N-]c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc(N)nc1	ZINC000814745787	1205695312	/nfs/dbraw/zinc/69/53/12/1205695312.db2.gz	HGEZNTKBNVWKPZ-UHFFFAOYSA-N	0	1	389.485	0.831	20	30		GCEDMN
Cc1cc(Cl)cc2c1OCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000814883215	1205696506	/nfs/dbraw/zinc/69/65/06/1205696506.db2.gz	FBCCNXPMPSFIIF-UHFFFAOYSA-N	0	1	398.828	0.121	20	30		GCEDMN
C#CCNC(=O)CCN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000815069251	1205697841	/nfs/dbraw/zinc/69/78/41/1205697841.db2.gz	CTZQMNXKOBTBLW-UHFFFAOYSA-N	0	1	392.525	0.030	20	30		GCEDMN
C#CCNC(=O)CCN1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000815086056	1205698222	/nfs/dbraw/zinc/69/82/22/1205698222.db2.gz	DPHSKDQPBIPBIC-KRWDZBQOSA-N	0	1	375.494	0.983	20	30		GCEDMN
C[C@@H](Cc1ccc(C#N)cc1)n1cncc1C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O	ZINC001172306228	1205715637	/nfs/dbraw/zinc/71/56/37/1205715637.db2.gz	XCHUWSKMDWFMQM-JVPBZIDWSA-N	0	1	394.479	0.905	20	30		GCEDMN
C#CCC1(O)CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1	ZINC001175854728	1205741943	/nfs/dbraw/zinc/74/19/43/1205741943.db2.gz	VRCOXKXHYTXFBX-UHFFFAOYSA-N	0	1	397.431	0.872	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1)c1cc[nH]n1	ZINC001177257797	1205764871	/nfs/dbraw/zinc/76/48/71/1205764871.db2.gz	ZLOOZXSMHWHRGK-DRAVAAQTSA-N	0	1	392.334	0.323	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1c[nH]nc1C(=O)OCC)c1ccn[nH]1	ZINC001177257774	1205764898	/nfs/dbraw/zinc/76/48/98/1205764898.db2.gz	YZKCYXKZMZJWQM-MTJSOVHGSA-N	0	1	378.345	0.232	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnc(N(C)CC)nc1)c1ccn[nH]1	ZINC001177257279	1205765019	/nfs/dbraw/zinc/76/50/19/1205765019.db2.gz	LJQPUQRZLQDZFE-HMAPJEAMSA-N	0	1	375.389	0.578	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@H](n2ccnn2)C1)c1cc[nH]n1	ZINC001177262658	1205765142	/nfs/dbraw/zinc/76/51/42/1205765142.db2.gz	FWHUXBDZKCFDPM-BMOWLENRSA-N	0	1	375.389	0.149	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1ccc(OC)c(O)c1)c1ccn[nH]1	ZINC001177262926	1205765477	/nfs/dbraw/zinc/76/54/77/1205765477.db2.gz	LULOHKLSDXVMIY-XLNRJJMWSA-N	0	1	390.396	0.767	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC(c2nncn2C)CC1)c1cc[nH]n1	ZINC001177263135	1205765527	/nfs/dbraw/zinc/76/55/27/1205765527.db2.gz	MHMLEIPWSAMGGL-JCMHNJIXSA-N	0	1	389.416	0.228	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@@](C)(C(=O)OC)C1)c1cc[nH]n1	ZINC001177262876	1205765598	/nfs/dbraw/zinc/76/55/98/1205765598.db2.gz	HLAQQQOZYYNDEG-LCJWNIEWSA-N	0	1	380.401	0.495	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N(C)[C@H]1CCCN(C(C)=O)C1)c1cc[nH]n1	ZINC001177263262	1205765612	/nfs/dbraw/zinc/76/56/12/1205765612.db2.gz	OXVQQHLTFZKOJV-BPHPCYGNSA-N	0	1	379.417	0.163	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@@H](n2cncn2)C1)c1cc[nH]n1	ZINC001177263144	1205765640	/nfs/dbraw/zinc/76/56/40/1205765640.db2.gz	MMDLNSCGRDHLCY-DMJQWXIHSA-N	0	1	375.389	0.149	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCC(=O)c1cccnc1)c1ccn[nH]1	ZINC001177265806	1205765804	/nfs/dbraw/zinc/76/58/04/1205765804.db2.gz	ASFSDWANHGINEO-QJOMJCCJSA-N	0	1	387.396	0.868	20	30		GCEDMN
COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001177909871	1205779463	/nfs/dbraw/zinc/77/94/63/1205779463.db2.gz	QRLSTBLNWRDRBE-YPMHNXCESA-N	0	1	382.463	0.619	20	30		GCEDMN
Cc1ccc(C(=O)N[C@@H](C)C2=NN(C)CC2=O)cc1S(=O)(=O)NCC#N	ZINC001179921074	1205816027	/nfs/dbraw/zinc/81/60/27/1205816027.db2.gz	NCTVXQXTYYAGCH-NSHDSACASA-N	0	1	377.426	0.727	20	30		GCEDMN
N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1	ZINC001183613997	1205896928	/nfs/dbraw/zinc/89/69/28/1205896928.db2.gz	YRHJXPDAMNMFSK-CQSZACIVSA-N	0	1	395.419	0.812	20	30		GCEDMN
C[C@H]1CN(C2CC2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21	ZINC001183732774	1205899783	/nfs/dbraw/zinc/89/97/83/1205899783.db2.gz	CCMSVAWSCXAJOU-ZDUSSCGKSA-N	0	1	376.482	0.810	20	30		GCEDMN
C#CCCN1CCC[C@H](NS(=O)(=O)c2nc(C)c(C(=O)OCC)s2)C1=O	ZINC001184986483	1205915843	/nfs/dbraw/zinc/91/58/43/1205915843.db2.gz	INCGTJURMANNBV-LBPRGKRZSA-N	0	1	399.494	0.921	20	30		GCEDMN
CCOC(=O)c1sc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NO)nc1C	ZINC001184996209	1205915887	/nfs/dbraw/zinc/91/58/87/1205915887.db2.gz	PNLXCYQFBFVTAG-VIFPVBQESA-N	0	1	379.460	0.827	20	30		GCEDMN
CN(C)[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)c1cccs1	ZINC000774851863	1205920852	/nfs/dbraw/zinc/92/08/52/1205920852.db2.gz	CKEFYLIVMYQIGT-CQSZACIVSA-N	0	1	386.481	0.962	20	30		GCEDMN
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O	ZINC001110366199	1205926537	/nfs/dbraw/zinc/92/65/37/1205926537.db2.gz	LYASAULSOIHNNI-FPCVCCKLSA-N	0	1	378.473	0.631	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@@H](C)c2ccc(OCCO)c(OC)c2)CC1	ZINC000775195081	1205991407	/nfs/dbraw/zinc/99/14/07/1205991407.db2.gz	IQIWRJSLGXQJQR-INIZCTEOSA-N	0	1	375.469	0.494	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCNS(=O)(=O)CC)C[C@H]21	ZINC001189175017	1205999543	/nfs/dbraw/zinc/99/95/43/1205999543.db2.gz	PLIQBHAXGXXVSX-HZMVEIRTSA-N	0	1	385.530	0.440	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CCCNS(=O)(=O)CC)C[C@H]21	ZINC001189175017	1205999545	/nfs/dbraw/zinc/99/95/45/1205999545.db2.gz	PLIQBHAXGXXVSX-HZMVEIRTSA-N	0	1	385.530	0.440	20	30		GCEDMN
C#C[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)[C@H]1CCCO1	ZINC000775328726	1206018103	/nfs/dbraw/zinc/01/81/03/1206018103.db2.gz	JOOYKTGSPKYEOK-DLBZAZTESA-N	0	1	383.404	0.792	20	30		GCEDMN
C#C[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)[C@H]1CCCO1	ZINC000775328727	1206018389	/nfs/dbraw/zinc/01/83/89/1206018389.db2.gz	JOOYKTGSPKYEOK-IAGOWNOFSA-N	0	1	383.404	0.792	20	30		GCEDMN
C#C[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)[C@@H]1CCCO1	ZINC000775328729	1206018425	/nfs/dbraw/zinc/01/84/25/1206018425.db2.gz	JOOYKTGSPKYEOK-IRXDYDNUSA-N	0	1	383.404	0.792	20	30		GCEDMN
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O	ZINC001110425628	1206032810	/nfs/dbraw/zinc/03/28/10/1206032810.db2.gz	VHAPVHKIEDEFSY-OAGGEKHMSA-N	0	1	378.473	0.633	20	30		GCEDMN
CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)c1cccc(C#N)c1F	ZINC001190535401	1206038196	/nfs/dbraw/zinc/03/81/96/1206038196.db2.gz	DRFKCLYYEUGSLG-UHFFFAOYSA-N	0	1	378.385	0.933	20	30		GCEDMN
C=CCOC[C@H]1CN(S(=O)(=O)c2ncc[nH]2)Cc2nnn(CC3CC3)c21	ZINC001190697826	1206041625	/nfs/dbraw/zinc/04/16/25/1206041625.db2.gz	BCPZWLICSJLKAU-CYBMUJFWSA-N	0	1	378.458	0.902	20	30		GCEDMN
CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164752056	720801421	/nfs/dbraw/zinc/80/14/21/720801421.db2.gz	YLGBEAKHPLLWEM-ZIAGYGMSSA-N	0	1	376.424	0.914	20	30		GCEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ncc(C#N)cc3C#N)CC2)C1	ZINC001164869876	721268204	/nfs/dbraw/zinc/26/82/04/721268204.db2.gz	RPTATVBZJPLFNQ-UHFFFAOYSA-N	0	1	382.468	0.832	20	30		GCEDMN
CN1CCN(Cc2cn3c(n2)CN(c2nc4c(cc2C#N)COCC4)CC3)CC1	ZINC001164794482	721520878	/nfs/dbraw/zinc/52/08/78/721520878.db2.gz	DXRLOSPEPIUDCD-UHFFFAOYSA-N	0	1	393.495	0.990	20	30		GCEDMN
Cn1cc([C@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC23CCOCC3)cn1	ZINC001571313095	946511331	/nfs/dbraw/zinc/51/13/31/946511331.db2.gz	NNEHEOKZOJOLBC-CYBMUJFWSA-N	0	1	392.427	0.662	20	30		GCEDMN
CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001571313429	946523542	/nfs/dbraw/zinc/52/35/42/946523542.db2.gz	QWKRAKWCBMVGBA-UHFFFAOYSA-N	0	1	392.427	0.775	20	30		GCEDMN
CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000824305617	946648911	/nfs/dbraw/zinc/64/89/11/946648911.db2.gz	RHGXYQNJHSMYLT-UHFFFAOYSA-N	0	1	379.384	0.712	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1	ZINC001573282864	946700139	/nfs/dbraw/zinc/70/01/39/946700139.db2.gz	NFOFBLIUOVJMHJ-AWEZNQCLSA-N	0	1	381.444	0.015	20	30		GCEDMN
C#CCN(C(=O)c1cc(C)[nH]n1)C1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1	ZINC001573283586	946720849	/nfs/dbraw/zinc/72/08/49/946720849.db2.gz	UCSDUKDMZYKUBG-UHFFFAOYSA-N	0	1	392.427	0.433	20	30		GCEDMN
C#CCN(C(=O)c1cnccn1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1	ZINC001573283852	946728551	/nfs/dbraw/zinc/72/85/51/946728551.db2.gz	WHZLVUGAJSSOFG-UHFFFAOYSA-N	0	1	389.423	0.796	20	30		GCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573284871	946760538	/nfs/dbraw/zinc/76/05/38/946760538.db2.gz	AAXODWTWMLEBQT-WMZOPIPTSA-N	0	1	381.484	0.949	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)cc1	ZINC001573286791	946820499	/nfs/dbraw/zinc/82/04/99/946820499.db2.gz	BFGWXQCZEXNKQP-HNNXBMFYSA-N	0	1	390.407	0.273	20	30		GCEDMN
C#CCOCCC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)c1ccccc1	ZINC001573287341	946835967	/nfs/dbraw/zinc/83/59/67/946835967.db2.gz	NBJQIBZKNWKCPZ-GOSISDBHSA-N	0	1	391.435	0.993	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)cn1	ZINC001573287770	946846564	/nfs/dbraw/zinc/84/65/64/946846564.db2.gz	KWEQJGHZUAKPHW-SWLSCSKDSA-N	0	1	389.423	0.820	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)nc1	ZINC001573288130	946858323	/nfs/dbraw/zinc/85/83/23/946858323.db2.gz	OIEMEOKTGCHGEI-AWEZNQCLSA-N	0	1	375.396	0.075	20	30		GCEDMN
C#CCOCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1	ZINC001573288340	946865147	/nfs/dbraw/zinc/86/51/47/946865147.db2.gz	UNCPQGLHNJJGLW-ZIAGYGMSSA-N	0	1	384.444	0.015	20	30		GCEDMN
C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)c1	ZINC001573290713	946911087	/nfs/dbraw/zinc/91/10/87/946911087.db2.gz	OGRSORRRDHOATK-UHFFFAOYSA-N	0	1	388.434	0.827	20	30		GCEDMN
C#Cc1ccccc1CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1	ZINC001573290832	946913573	/nfs/dbraw/zinc/91/35/73/946913573.db2.gz	QQIXAFGWDXKIEA-UHFFFAOYSA-N	0	1	391.435	0.140	20	30		GCEDMN
C=C(Br)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292781	946939996	/nfs/dbraw/zinc/93/99/96/946939996.db2.gz	BUYPEUSDQQSDTI-JTQLQIEISA-N	0	1	384.238	0.126	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561826	946966286	/nfs/dbraw/zinc/96/62/86/946966286.db2.gz	NRLHQOXMYTYUJC-WCQYABFASA-N	0	1	375.408	0.417	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561826	946966298	/nfs/dbraw/zinc/96/62/98/946966298.db2.gz	NRLHQOXMYTYUJC-WCQYABFASA-N	0	1	375.408	0.417	20	30		GCEDMN
C=C(Cl)CN(CCO)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573294932	947001790	/nfs/dbraw/zinc/00/17/90/947001790.db2.gz	KAMFJDOGPGUTRS-UHFFFAOYSA-N	0	1	379.852	0.846	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573568194	947068901	/nfs/dbraw/zinc/06/89/01/947068901.db2.gz	ZDIBHLYFWRXKIC-RYUDHWBXSA-N	0	1	375.458	0.795	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573568194	947068908	/nfs/dbraw/zinc/06/89/08/947068908.db2.gz	ZDIBHLYFWRXKIC-RYUDHWBXSA-N	0	1	375.458	0.795	20	30		GCEDMN
C=C1CC(C)(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573298354	947073895	/nfs/dbraw/zinc/07/38/95/947073895.db2.gz	OSPUVGXRJMYBIR-QWHCGFSZSA-N	0	1	384.444	0.463	20	30		GCEDMN
C=C1CC(C)(C(=O)N2CCO[C@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573298360	947074180	/nfs/dbraw/zinc/07/41/80/947074180.db2.gz	OSPUVGXRJMYBIR-STQMWFEESA-N	0	1	384.444	0.463	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573570791	947093549	/nfs/dbraw/zinc/09/35/49/947093549.db2.gz	UFOQYQRJUYZRQU-JGVFFNPUSA-N	0	1	382.837	0.776	20	30		GCEDMN
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1	ZINC001573575015	947134181	/nfs/dbraw/zinc/13/41/81/947134181.db2.gz	VMXXZGWLTUUMPP-LLVKDONJSA-N	0	1	375.458	0.843	20	30		GCEDMN
C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1	ZINC001573575015	947134189	/nfs/dbraw/zinc/13/41/89/947134189.db2.gz	VMXXZGWLTUUMPP-LLVKDONJSA-N	0	1	375.458	0.843	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1	ZINC001573309405	947198759	/nfs/dbraw/zinc/19/87/59/947198759.db2.gz	IMWVYJMQFWVHPT-OCBCSQNSSA-N	0	1	384.444	0.269	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1	ZINC001573582920	947198915	/nfs/dbraw/zinc/19/89/15/947198915.db2.gz	HWTVGHNSNBZNTP-SWLSCSKDSA-N	0	1	389.423	0.864	20	30		GCEDMN
C[C@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1	ZINC001573583691	947207152	/nfs/dbraw/zinc/20/71/52/947207152.db2.gz	NYCVWDVRMTZSOW-UKRRQHHQSA-N	0	1	391.439	0.768	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N(C)[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1	ZINC001573309727	947207857	/nfs/dbraw/zinc/20/78/57/947207857.db2.gz	NNSGEPDFVYVADL-APWZRJJASA-N	0	1	385.472	0.968	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573584546	947228490	/nfs/dbraw/zinc/22/84/90/947228490.db2.gz	XXNVPGZWAWMGDB-JGVFFNPUSA-N	0	1	382.837	0.458	20	30		GCEDMN
C=CCCOCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1	ZINC001573336579	947508939	/nfs/dbraw/zinc/50/89/39/947508939.db2.gz	PDUPDMRKSKFDJD-ACJLOTCBSA-N	0	1	384.444	0.534	20	30		GCEDMN
C=CCOCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1	ZINC001573342867	947546591	/nfs/dbraw/zinc/54/65/91/947546591.db2.gz	FTLDLQGWANUGMD-ZIAGYGMSSA-N	0	1	386.460	0.710	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573350472	947597139	/nfs/dbraw/zinc/59/71/39/947597139.db2.gz	BZCKTVUTRUSEEY-DGAVXFQQSA-N	0	1	384.444	0.367	20	30		GCEDMN
C[C@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)n1cnc(-c2nn[nH]n2)n1	ZINC001573626914	947715332	/nfs/dbraw/zinc/71/53/32/947715332.db2.gz	XJGYTXGHKQVHNS-LLVKDONJSA-N	0	1	378.400	0.692	20	30		GCEDMN
Cc1cc(C)c(NC(=O)CNC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c(C)c1	ZINC000826263992	947761371	/nfs/dbraw/zinc/76/13/71/947761371.db2.gz	YNBUOTLFJKACOY-UHFFFAOYSA-N	0	1	393.411	0.615	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000826382968	948179351	/nfs/dbraw/zinc/17/93/51/948179351.db2.gz	CYUWYHFZFHVHPS-UHFFFAOYSA-N	0	1	379.384	0.410	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1Cc1nnc(C(=O)NCc2ccccc2)s1	ZINC000826382972	948179867	/nfs/dbraw/zinc/17/98/67/948179867.db2.gz	DKBCXLRPNFRFNU-UHFFFAOYSA-N	0	1	392.408	0.765	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000826383183	948182951	/nfs/dbraw/zinc/18/29/51/948182951.db2.gz	OFCFTKIFXLWBKQ-UHFFFAOYSA-N	0	1	397.830	0.937	20	30		GCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001602789572	971545725	/nfs/dbraw/zinc/54/57/25/971545725.db2.gz	VTKKVIJHEXNMMF-TYILLQQXSA-N	0	1	378.473	0.827	20	30		GCEDMN
C[C@@]1(C#N)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1	ZINC001575525926	949357935	/nfs/dbraw/zinc/35/79/35/949357935.db2.gz	SZGOKRUEDBASIA-CYBMUJFWSA-N	0	1	379.358	0.078	20	30		GCEDMN
C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576169083	949663251	/nfs/dbraw/zinc/66/32/51/949663251.db2.gz	DYFFNLUKNWOUPI-SMDDNHRTSA-N	0	1	392.427	0.631	20	30		GCEDMN
C[C@@H](NC(=O)CSCC#N)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001575283325	949864825	/nfs/dbraw/zinc/86/48/25/949864825.db2.gz	OGSQLIJPOCZEGM-VXGBXAGGSA-N	0	1	387.473	0.635	20	30		GCEDMN
C[C@H](NC(=O)CSCC#N)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001575283323	949865281	/nfs/dbraw/zinc/86/52/81/949865281.db2.gz	OGSQLIJPOCZEGM-RYUDHWBXSA-N	0	1	387.473	0.635	20	30		GCEDMN
C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575886584	949887010	/nfs/dbraw/zinc/88/70/10/949887010.db2.gz	MYPYRQYKSCLMMF-CMPLNLGQSA-N	0	1	378.400	0.644	20	30		GCEDMN
CC(C)(C)OC(=O)CN1CCC(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1	ZINC001573850252	950269073	/nfs/dbraw/zinc/26/90/73/950269073.db2.gz	HUOPTNVDLBXILV-UHFFFAOYSA-N	0	1	385.432	0.746	20	30		GCEDMN
C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1	ZINC001575139814	952141686	/nfs/dbraw/zinc/14/16/86/952141686.db2.gz	CHLZTIXVULDPFO-QGZVFWFLSA-N	0	1	378.400	0.289	20	30		GCEDMN
N#Cc1cc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c[nH]1	ZINC001571135978	952610972	/nfs/dbraw/zinc/61/09/72/952610972.db2.gz	JOZFIVZAYGKFDJ-ZDUSSCGKSA-N	0	1	378.400	0.385	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]2C(=O)[O-]	ZINC001593823897	955069672	/nfs/dbraw/zinc/06/96/72/955069672.db2.gz	GWLPQBTVKHVSMB-NGEICVOHSA-N	0	1	385.420	0.760	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]2C(=O)[O-]	ZINC001593824920	955091613	/nfs/dbraw/zinc/09/16/13/955091613.db2.gz	UQKQTPACTBODKZ-LFDOHDQPSA-N	0	1	385.420	0.760	20	30		GCEDMN
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@]2(C(=O)[O-])CCOC2)CC1	ZINC001594600905	956127895	/nfs/dbraw/zinc/12/78/95/956127895.db2.gz	COPTUWACTBEDLW-QFBILLFUSA-N	0	1	390.415	0.368	20	30		GCEDMN
C#CCC[NH+]1CCN(C(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC001588390962	958019270	/nfs/dbraw/zinc/01/92/70/958019270.db2.gz	WXVQRAZFAIOPNJ-IBGZPJMESA-N	0	1	395.456	0.245	20	30		GCEDMN
O=C([O-])COc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000916311176	982674458	/nfs/dbraw/zinc/67/44/58/982674458.db2.gz	CXEBZJKTCSXUII-UHFFFAOYSA-N	0	1	380.470	0.670	20	30		GCEDMN
C#CCNC(=O)CC[N@@H+]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@]2(C(=O)[O-])C1	ZINC001588479226	983518403	/nfs/dbraw/zinc/51/84/03/983518403.db2.gz	DXSGUSWRNUIUFW-KSMMKXTCSA-N	0	1	379.457	0.816	20	30		GCEDMN
C#CCNS(=O)(=O)N1CC[NH+](Cc2c3ccccc3[nH]c2C(=O)[O-])CC1	ZINC001588486257	983526925	/nfs/dbraw/zinc/52/69/25/983526925.db2.gz	OPMONKDAIMJKMO-UHFFFAOYSA-N	0	1	376.438	0.451	20	30		GCEDMN
CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc(C#N)cc3C(=O)[O-])CC2)CC1	ZINC001598615030	993863733	/nfs/dbraw/zinc/86/37/33/993863733.db2.gz	FDQIREUTMZTGKD-UHFFFAOYSA-N	0	1	392.481	0.657	20	30		GCEDMN
COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786032	996030216	/nfs/dbraw/zinc/03/02/16/996030216.db2.gz	XPHUXOLPPKPZBZ-SWLSCSKDSA-N	0	1	384.392	0.758	20	30		GCEDMN
COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786032	996030220	/nfs/dbraw/zinc/03/02/20/996030220.db2.gz	XPHUXOLPPKPZBZ-SWLSCSKDSA-N	0	1	384.392	0.758	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000556414128	530183346	/nfs/dbraw/zinc/18/33/46/530183346.db2.gz	USZWWDDJQVUQJJ-UHFFFAOYSA-N	0	1	386.455	0.394	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000329371507	530285932	/nfs/dbraw/zinc/28/59/32/530285932.db2.gz	MGEJUTFMUFXRBJ-JTQLQIEISA-N	0	1	380.923	0.882	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000288066104	530258567	/nfs/dbraw/zinc/25/85/67/530258567.db2.gz	PQPOZQKIWZKVAD-ZDUSSCGKSA-N	0	1	394.273	0.621	20	30		GCEDMN
CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC000270475512	530260565	/nfs/dbraw/zinc/26/05/65/530260565.db2.gz	HHFPXLFCVFNAHP-LLVKDONJSA-N	0	1	389.455	0.370	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)C#N)c(C)cn1	ZINC000582072954	530376267	/nfs/dbraw/zinc/37/62/67/530376267.db2.gz	NYYPPQYWOGQIOQ-LBPRGKRZSA-N	0	1	388.515	0.673	20	30		GCEDMN
N#C[C@]1(NC(=O)c2cc(C(=O)N[C@]3(C#N)CCSC3)n[nH]2)CCSC1	ZINC000597035231	530456106	/nfs/dbraw/zinc/45/61/06/530456106.db2.gz	BLABGQZYFPZQBT-GASCZTMLSA-N	0	1	376.467	0.668	20	30		GCEDMN
CCN(CCO)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000184343434	530499160	/nfs/dbraw/zinc/49/91/60/530499160.db2.gz	OUOAQYJIFWXCSN-UHFFFAOYSA-N	0	1	376.276	0.913	20	30		GCEDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000563425577	530526101	/nfs/dbraw/zinc/52/61/01/530526101.db2.gz	XQELEANOJZUJKS-UHFFFAOYSA-N	0	1	386.499	0.205	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)N2CCC(CS(N)(=O)=O)CC2)C[C@H](C)O1	ZINC000331269944	530542636	/nfs/dbraw/zinc/54/26/36/530542636.db2.gz	AFJQQDHZAPMBEC-OKILXGFUSA-N	0	1	376.523	0.400	20	30		GCEDMN
CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCN1C[C@H](C)O	ZINC000329562478	530615119	/nfs/dbraw/zinc/61/51/19/530615119.db2.gz	NEDNVMXNQCASHN-RRFJBIMHSA-N	0	1	376.523	0.101	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CN(C)C	ZINC000575935446	530603772	/nfs/dbraw/zinc/60/37/72/530603772.db2.gz	UBHHVAXUQGAGAN-QWHCGFSZSA-N	0	1	388.515	0.448	20	30		GCEDMN
CC(C)[C@@H]1CN(C)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000329864630	530622069	/nfs/dbraw/zinc/62/20/69/530622069.db2.gz	ZUCPQBWEYYEFGO-AWEZNQCLSA-N	0	1	378.564	0.551	20	30		GCEDMN
CCN(CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F)S(C)(=O)=O	ZINC000268229524	530681928	/nfs/dbraw/zinc/68/19/28/530681928.db2.gz	YEBJCWGKBQOODO-UHFFFAOYSA-N	0	1	381.426	0.786	20	30		GCEDMN
CC[C@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N	ZINC000349476581	530647356	/nfs/dbraw/zinc/64/73/56/530647356.db2.gz	HNHJOKHCVFTDCV-CABCVRRESA-N	0	1	394.563	0.296	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000440105053	530683500	/nfs/dbraw/zinc/68/35/00/530683500.db2.gz	QMELMKVUOYPXGQ-QWHCGFSZSA-N	0	1	393.437	0.975	20	30		GCEDMN
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1=O	ZINC000470836929	530697051	/nfs/dbraw/zinc/69/70/51/530697051.db2.gz	RJJZEOGCIDXDGE-SECBINFHSA-N	0	1	383.455	0.936	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)ccn1	ZINC000349576731	530701801	/nfs/dbraw/zinc/70/18/01/530701801.db2.gz	SIEWWIAWXMOSRW-UONOGXRCSA-N	0	1	386.499	0.555	20	30		GCEDMN
COCCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000485939482	530746935	/nfs/dbraw/zinc/74/69/35/530746935.db2.gz	XZEVAQZNKYGKQJ-KBPBESRZSA-N	0	1	376.381	0.935	20	30		GCEDMN
CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000532066185	530897812	/nfs/dbraw/zinc/89/78/12/530897812.db2.gz	PLFARQOATCIWFO-UHFFFAOYSA-N	0	1	381.426	0.833	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N(C)C(C)C	ZINC000349532689	530898798	/nfs/dbraw/zinc/89/87/98/530898798.db2.gz	CATNAGBPJYRNFS-UHFFFAOYSA-N	0	1	377.492	0.576	20	30		GCEDMN
N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349491606	530880005	/nfs/dbraw/zinc/88/00/05/530880005.db2.gz	JRIXXZGIJBYROS-UHFFFAOYSA-N	0	1	387.487	0.200	20	30		GCEDMN
CSc1c[nH]nc1NS(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1	ZINC000349606666	530910693	/nfs/dbraw/zinc/91/06/93/530910693.db2.gz	XUGKXHNFEUOGDX-UHFFFAOYSA-N	0	1	393.516	0.439	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)c1C	ZINC000349503006	530883723	/nfs/dbraw/zinc/88/37/23/530883723.db2.gz	RTHOFLKKDRZWEP-ZDUSSCGKSA-N	0	1	393.466	0.426	20	30		GCEDMN
CCc1ncsc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1	ZINC000349507316	530884636	/nfs/dbraw/zinc/88/46/36/530884636.db2.gz	UYUYWPDTKIUOGD-UHFFFAOYSA-N	0	1	378.501	0.622	20	30		GCEDMN
CN(C)CCN(CCOCCO)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000443296981	530896258	/nfs/dbraw/zinc/89/62/58/530896258.db2.gz	QZJHOFXJJFVQDY-UHFFFAOYSA-N	0	1	377.413	0.398	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467153684	530914548	/nfs/dbraw/zinc/91/45/48/530914548.db2.gz	VTGTYQLADWLLNI-ZWNOBZJWSA-N	0	1	393.437	0.833	20	30		GCEDMN
CN(C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000499111370	530941718	/nfs/dbraw/zinc/94/17/18/530941718.db2.gz	UKBBHLVOKXKNNZ-OAHLLOKOSA-N	0	1	385.511	0.688	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)CCOc1ccc(S(C)(=O)=O)cc1	ZINC000521472770	530945374	/nfs/dbraw/zinc/94/53/74/530945374.db2.gz	FFQLVKATWPRJHH-UHFFFAOYSA-N	0	1	387.439	0.426	20	30		GCEDMN
CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000503501112	530949766	/nfs/dbraw/zinc/94/97/66/530949766.db2.gz	CWFNJUYINJQQJS-UHFFFAOYSA-N	0	1	375.878	0.773	20	30		GCEDMN
N#Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cn1	ZINC000737709845	599022721	/nfs/dbraw/zinc/02/27/21/599022721.db2.gz	NYNZZJYTIMOPQF-UHFFFAOYSA-N	0	1	391.395	0.961	20	30		GCEDMN
Nc1c(-c2nn[n-]n2)c(CCCNC2=[NH+]CCCN2)nn1-c1ccc(F)cc1	ZINC000737769124	598537899	/nfs/dbraw/zinc/53/78/99/598537899.db2.gz	FNOUATMRSSZTRA-UHFFFAOYSA-N	0	1	384.423	0.645	20	30		GCEDMN
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CN(C)CCN1C	ZINC000735420704	598731712	/nfs/dbraw/zinc/73/17/12/598731712.db2.gz	QOSCESPIOYGESU-KRWDZBQOSA-N	0	1	384.488	0.810	20	30		GCEDMN
Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000738922047	600005094	/nfs/dbraw/zinc/00/50/94/600005094.db2.gz	CQDRLPWSRQPILS-UHFFFAOYSA-N	0	1	396.517	0.495	20	30		GCEDMN
COC(=O)Cn1cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)nn1	ZINC000821663784	607464907	/nfs/dbraw/zinc/46/49/07/607464907.db2.gz	NXPVTLRRUCIKEN-UHFFFAOYSA-N	0	1	388.392	0.753	20	30		GCEDMN
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499686	601664489	/nfs/dbraw/zinc/66/44/89/601664489.db2.gz	FSHAPYQYRMTYJY-GDBMZVCRSA-N	0	1	397.435	0.997	20	30		GCEDMN
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499686	601664490	/nfs/dbraw/zinc/66/44/90/601664490.db2.gz	FSHAPYQYRMTYJY-GDBMZVCRSA-N	0	1	397.435	0.997	20	30		GCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000825619791	601990249	/nfs/dbraw/zinc/99/02/49/601990249.db2.gz	OYKULDLFNHQNNB-INIZCTEOSA-N	0	1	378.450	0.400	20	30		GCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000825619791	601990252	/nfs/dbraw/zinc/99/02/52/601990252.db2.gz	OYKULDLFNHQNNB-INIZCTEOSA-N	0	1	378.450	0.400	20	30		GCEDMN
C#CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000823844627	607597090	/nfs/dbraw/zinc/59/70/90/607597090.db2.gz	DQEVFZFGXSGYJW-UHFFFAOYSA-N	0	1	391.413	0.105	20	30		GCEDMN
C#CCCN1CCN(c2ncnc(N3CC[NH+](CCC#C)CC3)c2C(=O)[O-])CC1	ZINC000833365548	605035731	/nfs/dbraw/zinc/03/57/31/605035731.db2.gz	TYISOFGRKJQPAM-UHFFFAOYSA-N	0	1	396.495	0.465	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c1	ZINC000833364526	605252901	/nfs/dbraw/zinc/25/29/01/605252901.db2.gz	UHPDFVXZJZQQTH-AWEZNQCLSA-N	0	1	393.465	0.219	20	30		GCEDMN
C[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@H+]1CCC(=O)[O-]	ZINC000833620210	605275471	/nfs/dbraw/zinc/27/54/71/605275471.db2.gz	FKRKJLGFSVIRCJ-CYBMUJFWSA-N	0	1	382.424	0.947	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)Nc1sccc1C#N	ZINC000821600652	606702427	/nfs/dbraw/zinc/70/24/27/606702427.db2.gz	WXZZASBKXBTEAJ-UHFFFAOYSA-N	0	1	386.445	0.608	20	30		GCEDMN
N#Cc1cccc(OC2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)c1	ZINC000822837204	607214684	/nfs/dbraw/zinc/21/46/84/607214684.db2.gz	JHHDGOSEPUWBDB-UHFFFAOYSA-N	0	1	379.384	0.400	20	30		GCEDMN
N#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1	ZINC000822801661	607216360	/nfs/dbraw/zinc/21/63/60/607216360.db2.gz	LSBXYEALVKMGHF-JTQLQIEISA-N	0	1	377.290	0.858	20	30		GCEDMN
CC#CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000823937089	608100729	/nfs/dbraw/zinc/10/07/29/608100729.db2.gz	HMMNGOYXLGBQEL-UHFFFAOYSA-N	0	1	382.384	0.970	20	30		GCEDMN
C#CCNS(=O)(=O)N1CCN(Cc2cccc(Br)c2O)CC1	ZINC000895915994	639033806	/nfs/dbraw/zinc/03/38/06/639033806.db2.gz	RVGASWLGKHJVFF-UHFFFAOYSA-N	0	1	388.287	0.740	20	30		GCEDMN
C#CCNS(=O)(=O)N1CCN(Cc2ncc(Br)cc2O)CC1	ZINC000895924897	639034960	/nfs/dbraw/zinc/03/49/60/639034960.db2.gz	RCLFRKSNJGLMPI-UHFFFAOYSA-N	0	1	389.275	0.135	20	30		GCEDMN
CN(C)CC#CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1	ZINC000913517908	639581296	/nfs/dbraw/zinc/58/12/96/639581296.db2.gz	VDYRKGSTFDGTLF-UHFFFAOYSA-N	0	1	387.552	0.780	20	30		GCEDMN
CN(C)CC#CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000913516739	639581566	/nfs/dbraw/zinc/58/15/66/639581566.db2.gz	CUOGIDWEROGXBT-UHFFFAOYSA-N	0	1	377.242	0.840	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2csc(Cl)c2Cl)c(=O)n(C)c1=O	ZINC000761828424	640596330	/nfs/dbraw/zinc/59/63/30/640596330.db2.gz	PETDYMQTYYFYRC-UHFFFAOYSA-N	0	1	397.265	0.765	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(C(F)(F)F)s2)c(=O)n(C)c1=O	ZINC000761829074	640596948	/nfs/dbraw/zinc/59/69/48/640596948.db2.gz	YJCZOKXWOCCHKG-UHFFFAOYSA-N	0	1	396.372	0.477	20	30		GCEDMN
CCc1nc(C)c(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1	ZINC000771897349	640835349	/nfs/dbraw/zinc/83/53/49/640835349.db2.gz	LYLWDDZUOMZFRR-UHFFFAOYSA-N	0	1	385.471	0.114	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2csc3ccccc23)c(=O)n(C)c1=O	ZINC000771897574	640835464	/nfs/dbraw/zinc/83/54/64/640835464.db2.gz	POQKPXTWSMRZCV-UHFFFAOYSA-N	0	1	378.435	0.611	20	30		GCEDMN
C#CCOCCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000784456915	641287572	/nfs/dbraw/zinc/28/75/72/641287572.db2.gz	CYJYVZZBCVKJQC-UHFFFAOYSA-N	0	1	376.456	0.385	20	30		GCEDMN
C=C(Cl)C[C@H](N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000876601571	641567730	/nfs/dbraw/zinc/56/77/30/641567730.db2.gz	AWAJYRDPLGCQLD-ZDUSSCGKSA-N	0	1	382.873	0.750	20	30		GCEDMN
N#Cc1ncn(CCNC(=O)c2cccc(I)c2O)n1	ZINC000804621381	641639687	/nfs/dbraw/zinc/63/96/87/641639687.db2.gz	SXMYSMZTAIHVAZ-UHFFFAOYSA-N	0	1	383.149	0.890	20	30		GCEDMN
CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC000881790761	641651842	/nfs/dbraw/zinc/65/18/42/641651842.db2.gz	XXBIZZYUYVXINB-DEOSSOPVSA-N	0	1	387.531	0.741	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000834521601	642214575	/nfs/dbraw/zinc/21/45/75/642214575.db2.gz	OAAJNRORVGQTQP-KOLCDFICSA-N	0	1	379.214	0.402	20	30		GCEDMN
C#CCCN1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1	ZINC000840952018	642289101	/nfs/dbraw/zinc/28/91/01/642289101.db2.gz	PITWMTWPROWWGP-UHFFFAOYSA-N	0	1	388.486	0.995	20	30		GCEDMN
CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cnc(Cl)cn2)C1	ZINC000848958965	642574300	/nfs/dbraw/zinc/57/43/00/642574300.db2.gz	PTPCMPPLQPFMRW-UHFFFAOYSA-N	0	1	393.878	0.437	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1OC	ZINC000848960656	642582498	/nfs/dbraw/zinc/58/24/98/642582498.db2.gz	FYQMCNQTBZIMKB-LBPRGKRZSA-N	0	1	375.472	0.505	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848960786	642583067	/nfs/dbraw/zinc/58/30/67/642583067.db2.gz	IVCXMYHCTRGOED-JTQLQIEISA-N	0	1	380.879	0.545	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000848961803	642586970	/nfs/dbraw/zinc/58/69/70/642586970.db2.gz	OSPRJIYSAMBFOQ-UHFFFAOYSA-N	0	1	390.443	0.325	20	30		GCEDMN
C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848962863	642591027	/nfs/dbraw/zinc/59/10/27/642591027.db2.gz	ATODKVHLDIVNPU-SNVBAGLBSA-N	0	1	380.879	0.593	20	30		GCEDMN
C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848962698	642591099	/nfs/dbraw/zinc/59/10/99/642591099.db2.gz	PGJSLQAWSULZGJ-JTQLQIEISA-N	0	1	395.894	0.683	20	30		GCEDMN
C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848966043	642604733	/nfs/dbraw/zinc/60/47/33/642604733.db2.gz	CMYKUIRMNXNWHK-SECBINFHSA-N	0	1	381.867	0.483	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1	ZINC000848965914	642604795	/nfs/dbraw/zinc/60/47/95/642604795.db2.gz	XQDKNKCPPKQFFO-LLVKDONJSA-N	0	1	376.504	0.780	20	30		GCEDMN
C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848967436	642611590	/nfs/dbraw/zinc/61/15/90/642611590.db2.gz	CEYMXKHRULIVBY-VIFPVBQESA-N	0	1	381.867	0.341	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848968270	642614586	/nfs/dbraw/zinc/61/45/86/642614586.db2.gz	QHKLMJBVFMDGEU-SNVBAGLBSA-N	0	1	380.879	0.593	20	30		GCEDMN
O=C1Nc2cc(O)c(Cl)cc2C1=NNC(=S)NCCN1CCOCC1	ZINC000853263173	642793652	/nfs/dbraw/zinc/79/36/52/642793652.db2.gz	AUEUBVNFZYGYED-UHFFFAOYSA-N	0	1	383.861	0.498	20	30		GCEDMN
CCOC(=O)[C@@H](NS(=O)(=O)N(C)CCC#N)[C@H](O)c1ccc(Cl)cc1	ZINC000859242919	642989507	/nfs/dbraw/zinc/98/95/07/642989507.db2.gz	PRJCWUPASISPRP-UONOGXRCSA-N	0	1	389.861	0.985	20	30		GCEDMN
C#CCN1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000977855474	1192189465	/nfs/dbraw/zinc/18/94/65/1192189465.db2.gz	QLMVXMAVXAMWNK-ROMHJBHXSA-N	0	1	385.508	0.814	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000978096120	1192197944	/nfs/dbraw/zinc/19/79/44/1192197944.db2.gz	DZLUFUHYQUVYJW-NADOGSGZSA-N	0	1	385.508	0.814	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1ccccc1	ZINC001211678410	1192207017	/nfs/dbraw/zinc/20/70/17/1192207017.db2.gz	UYFSSAQBACYPJY-OBKDMQGPSA-N	0	1	381.476	0.888	20	30		GCEDMN
C=C(C)CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccc(CO)o1	ZINC000512177539	1192495165	/nfs/dbraw/zinc/49/51/65/1192495165.db2.gz	DZPCBNSIAMUBAS-UHFFFAOYSA-N	0	1	387.440	0.597	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@@H](C)OC2(CCOCC2)C1)c1cc[nH]n1	ZINC000279835975	1192609968	/nfs/dbraw/zinc/60/99/68/1192609968.db2.gz	RESYBRYIVSFNGQ-IQQDNESTSA-N	0	1	394.428	0.490	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](C)N1	ZINC000418857633	1192670419	/nfs/dbraw/zinc/67/04/19/1192670419.db2.gz	SMLULZAFIUXKQJ-LZWOXQAQSA-N	0	1	387.459	0.991	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1)c1cc[nH]n1	ZINC000279929332	1192838932	/nfs/dbraw/zinc/83/89/32/1192838932.db2.gz	BZMAVSUBQYRDEP-LIDHDFKKSA-N	0	1	380.401	0.100	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)cc1	ZINC000549715257	1192861288	/nfs/dbraw/zinc/86/12/88/1192861288.db2.gz	IEZVDPTURQEEOE-UHFFFAOYSA-N	0	1	390.421	0.968	20	30		GCEDMN
CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cn1C	ZINC000512589700	1192913621	/nfs/dbraw/zinc/91/36/21/1192913621.db2.gz	ZZNGIVHEQBIYEY-UHFFFAOYSA-N	0	1	399.436	0.825	20	30		GCEDMN
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)ccc1F	ZINC000274802375	1184333690	/nfs/dbraw/zinc/33/36/90/1184333690.db2.gz	SRWRLVUNKUYGNX-SNVBAGLBSA-N	0	1	382.421	0.679	20	30		GCEDMN
C#CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@H]2C1	ZINC001083190929	1184346060	/nfs/dbraw/zinc/34/60/60/1184346060.db2.gz	DUEPZQZPEWYYQI-XWTMOSNGSA-N	0	1	375.469	0.091	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)[C@@H](O)C2)CC1	ZINC000969658759	1184374888	/nfs/dbraw/zinc/37/48/88/1184374888.db2.gz	SBRSEYJYVLRGRN-OMZCGLGVSA-N	0	1	387.524	0.846	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)CCN(C)CC2)c1	ZINC000888998110	1184572380	/nfs/dbraw/zinc/57/23/80/1184572380.db2.gz	RJFOXWYPNGQZSS-UHFFFAOYSA-N	0	1	380.514	0.470	20	30		GCEDMN
COCCCN(CCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000275530519	1184701015	/nfs/dbraw/zinc/70/10/15/1184701015.db2.gz	WYZSBYUZMPYZSB-IBGZPJMESA-N	0	1	392.475	0.865	20	30		GCEDMN
COCCCN(CCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000275530523	1184701623	/nfs/dbraw/zinc/70/16/23/1184701623.db2.gz	WYZSBYUZMPYZSB-LJQANCHMSA-N	0	1	392.475	0.865	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000298290131	1184825327	/nfs/dbraw/zinc/82/53/27/1184825327.db2.gz	LKEWAEUNJWKVEW-HOTGVXAUSA-N	0	1	393.509	0.827	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH]c(C)nc32)C[C@@H]1O	ZINC000970707421	1184978296	/nfs/dbraw/zinc/97/82/96/1184978296.db2.gz	XNHMNFLEWJQGKQ-VZEFYGNVSA-N	0	1	384.436	0.764	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@@H]1O	ZINC000970710769	1184979584	/nfs/dbraw/zinc/97/95/84/1184979584.db2.gz	SVPWUSCGZKUHBN-VZEFYGNVSA-N	0	1	386.408	0.562	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1	ZINC000050028013	1185115573	/nfs/dbraw/zinc/11/55/73/1185115573.db2.gz	PVALVGVTALPCRP-UHFFFAOYSA-N	0	1	382.508	0.792	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC2CC2)CC1	ZINC000156092337	1185563254	/nfs/dbraw/zinc/56/32/54/1185563254.db2.gz	PGOLXZLDLNIRAV-CQSZACIVSA-N	0	1	376.482	0.779	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)C(=O)Nc1ccccc1)c1ccn[nH]1	ZINC000276529046	1185867397	/nfs/dbraw/zinc/86/73/97/1185867397.db2.gz	DMUKYTLBJOVTBC-QGEJRGBOSA-N	0	1	387.396	0.837	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccccc1F)c1ccn[nH]1	ZINC000276535021	1185874355	/nfs/dbraw/zinc/87/43/55/1185874355.db2.gz	FNVXTAUXAHUFIF-TYIKUYDASA-N	0	1	378.360	0.682	20	30		GCEDMN
C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1	ZINC000891508399	1185898915	/nfs/dbraw/zinc/89/89/15/1185898915.db2.gz	LIXXIKZJLAOBBG-CQSZACIVSA-N	0	1	399.542	0.146	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](c2nc(C)no2)C1)c1cc[nH]n1	ZINC000276559276	1185898994	/nfs/dbraw/zinc/89/89/94/1185898994.db2.gz	IUXUZNVZTPEKLS-MLIMZQRQSA-N	0	1	390.400	0.791	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nnc(C)n1C1CC1)c1ccn[nH]1	ZINC000276574761	1185911715	/nfs/dbraw/zinc/91/17/15/1185911715.db2.gz	KTCBRFIRXDETAF-PXLXIMEGSA-N	0	1	375.389	0.245	20	30		GCEDMN
CN1CCN(C[C@H](NC(=O)NCCn2cnc(C#N)n2)c2ccccc2)CC1	ZINC000561577732	1185912770	/nfs/dbraw/zinc/91/27/70/1185912770.db2.gz	OSFPXFQFLURIEN-KRWDZBQOSA-N	0	1	382.472	0.438	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1ccn[nH]1	ZINC000276610536	1185930103	/nfs/dbraw/zinc/93/01/03/1185930103.db2.gz	PNJYHVQHMNPVDE-WSRQSJKRSA-N	0	1	399.407	0.615	20	30		GCEDMN
CCCNC(=O)[C@@H]1CCCN(C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)C1	ZINC000276634100	1185931450	/nfs/dbraw/zinc/93/14/50/1185931450.db2.gz	TZEBWMKMEYGQGJ-GHOZOMOVSA-N	0	1	393.444	0.458	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCOC[C@@H]1CCCO1)c1ccn[nH]1	ZINC000276622439	1185932307	/nfs/dbraw/zinc/93/23/07/1185932307.db2.gz	RESKVSXZSDZRFW-JEEMYIIMSA-N	0	1	382.417	0.395	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](CCO)c1ccccc1)c1ccn[nH]1	ZINC000276659639	1185935029	/nfs/dbraw/zinc/93/50/29/1185935029.db2.gz	XVVOFHPTESCVCS-SAZKUCFMSA-N	0	1	388.424	0.976	20	30		GCEDMN
C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)C1	ZINC000891605484	1185939207	/nfs/dbraw/zinc/93/92/07/1185939207.db2.gz	FONUTZJQTXOLEB-QGZVFWFLSA-N	0	1	383.496	0.591	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1(SC)CCOCC1)c1ccn[nH]1	ZINC000276670384	1185948844	/nfs/dbraw/zinc/94/88/44/1185948844.db2.gz	ZDGGOZADTRJPHD-XSFVSMFZSA-N	0	1	384.458	0.722	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)N1CCC(C(=O)N3CCN(C)CC3)CC1)CC2	ZINC000328853281	1185975556	/nfs/dbraw/zinc/97/55/56/1185975556.db2.gz	JDZMWXUSPFXKQR-MRXNPFEDSA-N	0	1	389.504	0.301	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](C(=O)OCC)C1)c1cc[nH]n1	ZINC000276741982	1186011419	/nfs/dbraw/zinc/01/14/19/1186011419.db2.gz	VBUGLRISOVRPQF-PQXWDWFGSA-N	0	1	380.401	0.495	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)CCNCCNC(=O)Cc2cccc(F)c2)nc1	ZINC000562987528	1186095511	/nfs/dbraw/zinc/09/55/11/1186095511.db2.gz	QIVSUHYVHHTENB-UHFFFAOYSA-N	0	1	390.440	0.815	20	30		GCEDMN
COCCN1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000610806142	1186227260	/nfs/dbraw/zinc/22/72/60/1186227260.db2.gz	TYEZMELLWYYPQH-ZBFHGGJFSA-N	0	1	394.497	0.452	20	30		GCEDMN
N#Cc1ccc(CN2CCCN(CC(=O)NCC(=O)N3CCCC3)CC2)cc1	ZINC000247653910	1186249441	/nfs/dbraw/zinc/24/94/41/1186249441.db2.gz	OGLQWYXDTGXSKU-UHFFFAOYSA-N	0	1	383.496	0.805	20	30		GCEDMN
CN(C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1)S(C)(=O)=O	ZINC000610968408	1186267343	/nfs/dbraw/zinc/26/73/43/1186267343.db2.gz	NRQMBJBXJIDHSH-KRWDZBQOSA-N	0	1	381.498	0.848	20	30		GCEDMN
Cc1nn(C)c(N2CCN(CC3=Nc4ccccc4S(=O)(=O)N3)CC2)c1C#N	ZINC000472155836	1186402772	/nfs/dbraw/zinc/40/27/72/1186402772.db2.gz	MQWPUXMDWMGHLB-UHFFFAOYSA-N	0	1	399.480	0.744	20	30		GCEDMN
C=CCCn1cc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nn1	ZINC000657374085	1186473884	/nfs/dbraw/zinc/47/38/84/1186473884.db2.gz	IMSYMMUXSFTDCW-UHFFFAOYSA-N	0	1	379.490	0.531	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](c2nncn2C)C1)c1cc[nH]n1	ZINC000277727660	1186580484	/nfs/dbraw/zinc/58/04/84/1186580484.db2.gz	BDDQCJXSUGAVSU-MLIMZQRQSA-N	0	1	389.416	0.228	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(CC(=O)OCC)CC1)c1cc[nH]n1	ZINC000277740209	1186584477	/nfs/dbraw/zinc/58/44/77/1186584477.db2.gz	BUFLWYIXMVCZBL-HEHNFIMWSA-N	0	1	394.428	0.885	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCN(Cc2ccco2)CC1)c1cc[nH]n1	ZINC000277883338	1186662080	/nfs/dbraw/zinc/66/20/80/1186662080.db2.gz	KZGJMCZNBUNLNS-HEHNFIMWSA-N	0	1	389.412	0.631	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@]1(CO)C[C@H](OCC)C1(C)C)c1ccn[nH]1	ZINC000277910276	1186686443	/nfs/dbraw/zinc/68/64/43/1186686443.db2.gz	ASYVODJXVOZESQ-HDOMJAFTSA-N	0	1	396.444	0.376	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)COCC(F)(F)F)c1ccn[nH]1	ZINC000277914587	1186692433	/nfs/dbraw/zinc/69/24/33/1186692433.db2.gz	DQMJMQWQAPFNEX-FSHZFVGBSA-N	0	1	380.323	0.777	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCSC[C@H]1CC(=O)OC)c1cc[nH]n1	ZINC000277999848	1186740874	/nfs/dbraw/zinc/74/08/74/1186740874.db2.gz	OBIDDUCOQDXAAK-RFEBSHCTSA-N	0	1	398.441	0.201	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C)c1ccn[nH]1	ZINC000278108664	1186785955	/nfs/dbraw/zinc/78/59/55/1186785955.db2.gz	BTMZINRKBCOUFN-LLIIFPHZSA-N	0	1	396.444	0.376	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(CNC(C)=O)CC1)c1cc[nH]n1	ZINC000278136686	1186798331	/nfs/dbraw/zinc/79/83/31/1186798331.db2.gz	NBIKYAYZGMKEAM-LTGZKZEYSA-N	0	1	379.417	0.068	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](NC(=O)OCC)C1)c1cc[nH]n1	ZINC000278200845	1186825700	/nfs/dbraw/zinc/82/57/00/1186825700.db2.gz	SBKIYYHUBGCLHG-DRPFOCBESA-N	0	1	395.416	0.431	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CO)c1c(F)cccc1F)c1ccn[nH]1	ZINC000278279133	1186868508	/nfs/dbraw/zinc/86/85/08/1186868508.db2.gz	BBSKSWYOUQMUQM-GWKQSCENSA-N	0	1	396.350	0.822	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N([C@H](C)C(=O)OC)C1CCC1)c1cc[nH]n1	ZINC000278348018	1186902516	/nfs/dbraw/zinc/90/25/16/1186902516.db2.gz	OJQLFCVUZYJTAJ-PDYGYHTQSA-N	0	1	380.401	0.636	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C)C1	ZINC000329467639	1186945218	/nfs/dbraw/zinc/94/52/18/1186945218.db2.gz	WTCKUYGOMTVUIG-FRRDWIJNSA-N	0	1	380.411	0.841	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C)C1	ZINC000329467640	1186945317	/nfs/dbraw/zinc/94/53/17/1186945317.db2.gz	WTCKUYGOMTVUIG-RWMBFGLXSA-N	0	1	380.411	0.841	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CC(F)(F)F)C(=O)OC)c1ccn[nH]1	ZINC000278459185	1186951149	/nfs/dbraw/zinc/95/11/49/1186951149.db2.gz	HBXWBPLZHJOZCV-VZFXHFQQSA-N	0	1	394.306	0.304	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1	ZINC000583972974	1186971307	/nfs/dbraw/zinc/97/13/07/1186971307.db2.gz	RWPLKASALFUILW-MJGOQNOKSA-N	0	1	389.544	0.915	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@H]3NC(=O)C3(C)C)CC2)CC1	ZINC000583972975	1186971508	/nfs/dbraw/zinc/97/15/08/1186971508.db2.gz	RWPLKASALFUILW-PKOBYXMFSA-N	0	1	389.544	0.915	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CC)C[C@@H](O)C(F)(F)F)c1cc[nH]n1	ZINC000278627205	1186998777	/nfs/dbraw/zinc/99/87/77/1186998777.db2.gz	MENCYKCSJHPWLJ-DSNOEGRGSA-N	0	1	380.323	0.465	20	30		GCEDMN
COc1cc(C#N)ccc1OCC(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1	ZINC000584194219	1187013240	/nfs/dbraw/zinc/01/32/40/1187013240.db2.gz	YIHRXQKCNAGRAM-MRXNPFEDSA-N	0	1	386.452	0.757	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1	ZINC001023804178	1187154648	/nfs/dbraw/zinc/15/46/48/1187154648.db2.gz	DLYJBWVUWOLWDR-DZUCGIPZSA-N	0	1	388.468	0.571	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1O	ZINC001023960461	1187196163	/nfs/dbraw/zinc/19/61/63/1187196163.db2.gz	MVCMOTZWJGYWAN-TVFCKZIOSA-N	0	1	384.436	0.617	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1	ZINC001024905081	1187680758	/nfs/dbraw/zinc/68/07/58/1187680758.db2.gz	MJNYKYYCXISHMA-BRSBDYLESA-N	0	1	375.513	0.702	20	30		GCEDMN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000582572322	1187754940	/nfs/dbraw/zinc/75/49/40/1187754940.db2.gz	OOZICNUYSYWLFB-KDOFPFPSSA-N	0	1	399.470	0.945	20	30		GCEDMN
C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)C(C)C(=O)NC(N)=O	ZINC000414217212	1187767793	/nfs/dbraw/zinc/76/77/93/1187767793.db2.gz	BXROWILADZOZRZ-LLVKDONJSA-N	0	1	377.426	0.797	20	30		GCEDMN
C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414224029	1187771193	/nfs/dbraw/zinc/77/11/93/1187771193.db2.gz	QBILUAVTOXILJQ-LBPRGKRZSA-N	0	1	391.453	0.673	20	30		GCEDMN
C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414221421	1187771447	/nfs/dbraw/zinc/77/14/47/1187771447.db2.gz	KVTIRWIQYWNLSC-SNVBAGLBSA-N	0	1	395.416	0.888	20	30		GCEDMN
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C	ZINC000424397745	1187935190	/nfs/dbraw/zinc/93/51/90/1187935190.db2.gz	SZDVNQQETTZLPS-HUUCEWRRSA-N	0	1	387.502	0.578	20	30		GCEDMN
N#Cc1cnn(-c2ccc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)cc2)c1N	ZINC000377567365	1188076070	/nfs/dbraw/zinc/07/60/70/1188076070.db2.gz	OEPHSWUGWXNTFL-QZTJIDSGSA-N	0	1	380.452	0.997	20	30		GCEDMN
CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@@H]2C1	ZINC000377937282	1189378840	/nfs/dbraw/zinc/37/88/40/1189378840.db2.gz	GDPJNALJORADCC-XJKSGUPXSA-N	0	1	379.424	0.630	20	30		GCEDMN
COCCN1CC[C@@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1	ZINC000290596742	1189419404	/nfs/dbraw/zinc/41/94/04/1189419404.db2.gz	AHIHFIHJAPCRFH-CQSZACIVSA-N	0	1	378.502	0.876	20	30		GCEDMN
N#Cc1ccccc1N1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1	ZINC000264442223	1189456187	/nfs/dbraw/zinc/45/61/87/1189456187.db2.gz	DVTFIDZSVDJNFA-SFHVURJKSA-N	0	1	384.484	0.730	20	30		GCEDMN
C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)CN1CCO	ZINC000416292724	1189482499	/nfs/dbraw/zinc/48/24/99/1189482499.db2.gz	IZPARHCPUSBRHH-HUUCEWRRSA-N	0	1	394.497	0.092	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)OCCCN2CCO[C@H](C)C2)c1	ZINC000893390677	1189871413	/nfs/dbraw/zinc/87/14/13/1189871413.db2.gz	TTYOUPMCVFWKDC-OAHLLOKOSA-N	0	1	380.466	0.866	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)CN1	ZINC000419613609	1194073326	/nfs/dbraw/zinc/07/33/26/1194073326.db2.gz	LAZSZSGZSHLPMX-JCAIJIATSA-N	0	1	385.468	0.968	20	30		GCEDMN
COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1=O	ZINC000501183742	1194074171	/nfs/dbraw/zinc/07/41/71/1194074171.db2.gz	FHUIOXLFGWOZMM-GFCCVEGCSA-N	0	1	387.364	0.279	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)CN1	ZINC000419715063	1194091142	/nfs/dbraw/zinc/09/11/42/1194091142.db2.gz	AAPMIKHWYRWIRM-VBJONLRCSA-N	0	1	385.468	0.968	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)NC[C@H]2CN(C)CCN2C)c(C#N)cn1CC	ZINC000421163511	1194300495	/nfs/dbraw/zinc/30/04/95/1194300495.db2.gz	IGZOUSPLTPLQQN-AWEZNQCLSA-N	0	1	376.461	0.924	20	30		GCEDMN
CCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000422312439	1194617123	/nfs/dbraw/zinc/61/71/23/1194617123.db2.gz	SHXOTCXAJFFBND-CVEARBPZSA-N	0	1	387.459	0.993	20	30		GCEDMN
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000423087241	1194726420	/nfs/dbraw/zinc/72/64/20/1194726420.db2.gz	NKZFELBTYRTQPE-GOSISDBHSA-N	0	1	397.479	0.187	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)nn1CCC#N	ZINC000504095334	1194752974	/nfs/dbraw/zinc/75/29/74/1194752974.db2.gz	FRBWFCAZCJILKR-OAHLLOKOSA-N	0	1	388.472	0.755	20	30		GCEDMN
C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000423642935	1194776844	/nfs/dbraw/zinc/77/68/44/1194776844.db2.gz	XDEBSYRQXDDZQB-LSDHHAIUSA-N	0	1	397.479	0.944	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H](C)CN1	ZINC000423642933	1194776992	/nfs/dbraw/zinc/77/69/92/1194776992.db2.gz	XDEBSYRQXDDZQB-HUUCEWRRSA-N	0	1	397.479	0.944	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@H](C)CN1	ZINC000423655438	1194780019	/nfs/dbraw/zinc/78/00/19/1194780019.db2.gz	SHWQCUWDMKHPOS-VGWCWKRBSA-N	0	1	381.436	0.067	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000423722751	1194788996	/nfs/dbraw/zinc/78/89/96/1194788996.db2.gz	PXPXGUZRPWFVAX-ZSDSOXJFSA-N	0	1	395.463	0.459	20	30		GCEDMN
C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)C(=O)OC	ZINC000436529189	1195014194	/nfs/dbraw/zinc/01/41/94/1195014194.db2.gz	KBPMLYSUBMLIID-ZDUSSCGKSA-N	0	1	386.426	0.117	20	30		GCEDMN
C=CCn1cc(CNC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)nn1	ZINC000425691204	1195059733	/nfs/dbraw/zinc/05/97/33/1195059733.db2.gz	LFDPYEJPPPMTNG-UHFFFAOYSA-N	0	1	391.520	0.890	20	30		GCEDMN
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000425820920	1195123003	/nfs/dbraw/zinc/12/30/03/1195123003.db2.gz	PKWOCFWIYIATFF-CYBMUJFWSA-N	0	1	384.396	0.656	20	30		GCEDMN
CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nnc[nH]2)cc1	ZINC000517172532	1195146786	/nfs/dbraw/zinc/14/67/86/1195146786.db2.gz	IHDJLRLVHPURCW-NSHDSACASA-N	0	1	398.470	0.206	20	30		GCEDMN
COCCCN1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270292993	1195178046	/nfs/dbraw/zinc/17/80/46/1195178046.db2.gz	YJXCVKUZVFYIJE-AWEZNQCLSA-N	0	1	377.466	0.907	20	30		GCEDMN
COCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000509572250	1195258676	/nfs/dbraw/zinc/25/86/76/1195258676.db2.gz	UVNWWMNNYCWGGZ-UHFFFAOYSA-N	0	1	396.450	0.679	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)[C@@H](CC(C)C)C(=O)OC)c1cc[nH]n1	ZINC000294641266	1195259761	/nfs/dbraw/zinc/25/97/61/1195259761.db2.gz	MDEJKNOLTVHWAF-YJJAPZNASA-N	0	1	382.417	0.740	20	30		GCEDMN
C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2c(F)cccc2F)C1=O	ZINC000518268293	1195273862	/nfs/dbraw/zinc/27/38/62/1195273862.db2.gz	QDIOTXSRLNNEBS-ZDUSSCGKSA-N	0	1	387.408	0.488	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC[C@H](N3CCOCC3)CC2)n(CCC#N)n1	ZINC000519422190	1195404906	/nfs/dbraw/zinc/40/49/06/1195404906.db2.gz	NMGAKQIQJLPRIM-INIZCTEOSA-N	0	1	388.472	0.757	20	30		GCEDMN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000440343824	1195408437	/nfs/dbraw/zinc/40/84/37/1195408437.db2.gz	VQHNDRCQGWRCNN-INIZCTEOSA-N	0	1	376.482	0.699	20	30		GCEDMN
CN(C)CCCN(C(=O)CNc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000164412152	1195633552	/nfs/dbraw/zinc/63/35/52/1195633552.db2.gz	ZLTXOVNULAGTNQ-KRWDZBQOSA-N	0	1	378.498	0.938	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)C(=O)C3)cn2)CC1	ZINC000328736691	1195662595	/nfs/dbraw/zinc/66/25/95/1195662595.db2.gz	ZPRBBDRSPFRKIK-UHFFFAOYSA-N	0	1	386.500	0.944	20	30		GCEDMN
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCC(CN3CCOCC3)CC2)C1	ZINC000328839212	1195670054	/nfs/dbraw/zinc/67/00/54/1195670054.db2.gz	YOORGYQUKHSTEB-MRXNPFEDSA-N	0	1	388.534	0.226	20	30		GCEDMN
CC[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(=O)N1CCOCC1	ZINC000328835791	1195670068	/nfs/dbraw/zinc/67/00/68/1195670068.db2.gz	SLHXLHIJEZCJIV-DLBZAZTESA-N	0	1	382.505	0.582	20	30		GCEDMN
CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@@H]3CCN(C)C[C@@H]32)ccc1C	ZINC000328993830	1195684630	/nfs/dbraw/zinc/68/46/30/1195684630.db2.gz	DVHKYTFXGARZLE-JKSUJKDBSA-N	0	1	396.513	0.896	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1	ZINC000330430045	1195688415	/nfs/dbraw/zinc/68/84/15/1195688415.db2.gz	HWFNBBYSIVUNQA-MRXNPFEDSA-N	0	1	390.550	0.613	20	30		GCEDMN
CCNC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1	ZINC000330464572	1195688904	/nfs/dbraw/zinc/68/89/04/1195688904.db2.gz	VCJWQJVUSPBBJR-UHFFFAOYSA-N	0	1	390.412	0.321	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1	ZINC000330475797	1195689794	/nfs/dbraw/zinc/68/97/94/1195689794.db2.gz	JTCWYFBFRXBIGE-JKSUJKDBSA-N	0	1	390.550	0.518	20	30		GCEDMN
CC[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)CCN1CCOC	ZINC000330483930	1195690315	/nfs/dbraw/zinc/69/03/15/1195690315.db2.gz	WSTOJJJPULWFPN-INIZCTEOSA-N	0	1	390.550	0.757	20	30		GCEDMN
COc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)cc1S(=O)(=O)N(C)C	ZINC000330683272	1195702092	/nfs/dbraw/zinc/70/20/92/1195702092.db2.gz	RAUWTMNJJKLEFW-AWEZNQCLSA-N	0	1	384.502	0.496	20	30		GCEDMN
C[C@H](NC(=O)NC[C@@H]1CN(C)CCN1C)c1ccccc1NS(C)(=O)=O	ZINC000330762764	1195706226	/nfs/dbraw/zinc/70/62/26/1195706226.db2.gz	PJPQFJMOPCGWPZ-UONOGXRCSA-N	0	1	383.518	0.869	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(CC(C)(C)O)CC1	ZINC000331007256	1195717037	/nfs/dbraw/zinc/71/70/37/1195717037.db2.gz	TVEIIFVUMNBHKB-UHFFFAOYSA-N	0	1	398.529	0.739	20	30		GCEDMN
CC[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC)cn2)CCN1C[C@@H](C)O	ZINC000331175207	1195722862	/nfs/dbraw/zinc/72/28/62/1195722862.db2.gz	PIXNHKOBECGKER-OLZOCXBDSA-N	0	1	385.490	0.312	20	30		GCEDMN
CN(C)C(=O)NCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000331251046	1195725765	/nfs/dbraw/zinc/72/57/65/1195725765.db2.gz	ZBMPDMUDLHRYIZ-UHFFFAOYSA-N	0	1	398.485	0.724	20	30		GCEDMN
CNS(=O)(=O)c1cccc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1	ZINC000331307294	1195728423	/nfs/dbraw/zinc/72/84/23/1195728423.db2.gz	WFDDASJYOLWRNS-ZDUSSCGKSA-N	0	1	384.502	0.917	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1	ZINC000072015419	1195740845	/nfs/dbraw/zinc/74/08/45/1195740845.db2.gz	JYJPGNWZCGUARW-UHFFFAOYSA-N	0	1	399.520	0.745	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CC(=O)N(C)C)CC2)CC1	ZINC000182169553	1195783618	/nfs/dbraw/zinc/78/36/18/1195783618.db2.gz	TUXAINCNSKBURG-SFHVURJKSA-N	0	1	377.533	0.869	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21	ZINC001075805193	1195856108	/nfs/dbraw/zinc/85/61/08/1195856108.db2.gz	REHYQUBSGROHHY-JJXSEGSLSA-N	0	1	376.457	0.052	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1F	ZINC000427747565	1195872403	/nfs/dbraw/zinc/87/24/03/1195872403.db2.gz	LSYZWPAGDHRLAA-UHFFFAOYSA-N	0	1	375.385	0.829	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cc1	ZINC000521069807	1195959682	/nfs/dbraw/zinc/95/96/82/1195959682.db2.gz	UGULNAOHVGPCTC-KRWDZBQOSA-N	0	1	376.482	0.532	20	30		GCEDMN
CNS(=O)(=O)c1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000521227372	1195978359	/nfs/dbraw/zinc/97/83/59/1195978359.db2.gz	HIUGFTPYSCQRHG-INIZCTEOSA-N	0	1	375.450	0.996	20	30		GCEDMN
C=CCN(C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21)[C@H]1CCS(=O)(=O)C1	ZINC000521532240	1196000056	/nfs/dbraw/zinc/00/00/56/1196000056.db2.gz	WMQMSVRORJOZPB-OLZOCXBDSA-N	0	1	390.465	0.883	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C(F)(F)F	ZINC001112166033	1196051132	/nfs/dbraw/zinc/05/11/32/1196051132.db2.gz	AUQPVWIBKVLWIL-XJFOESAGSA-N	0	1	375.391	0.517	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCN2C(=O)NC(C)(C)C2=O)[C@@H]1CC	ZINC001087732308	1196069859	/nfs/dbraw/zinc/06/98/59/1196069859.db2.gz	OBUKBIRRCXNIQW-QXSJWSMHSA-N	0	1	392.500	0.877	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@H]3CCN(C)C[C@H]32)c1C	ZINC000329022947	1196157348	/nfs/dbraw/zinc/15/73/48/1196157348.db2.gz	MTGCKOWOPACWTF-SJORKVTESA-N	0	1	396.513	0.944	20	30		GCEDMN
CC(=O)N1CCC[C@@](O)(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1	ZINC000329049123	1196159344	/nfs/dbraw/zinc/15/93/44/1196159344.db2.gz	QRWCCDFQJBRPPM-IBGZPJMESA-N	0	1	375.473	0.663	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)Cn3c4ccccc4n(C)c3=O)CC2)C1=O	ZINC000329052456	1196159870	/nfs/dbraw/zinc/15/98/70/1196159870.db2.gz	ACEFPCCAGXPUOR-QGZVFWFLSA-N	0	1	385.468	0.992	20	30		GCEDMN
CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1	ZINC000329062396	1196160329	/nfs/dbraw/zinc/16/03/29/1196160329.db2.gz	NWHJDOQELVXCHV-CMKODMSKSA-N	0	1	375.469	0.952	20	30		GCEDMN
CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)C1	ZINC000329062396	1196160330	/nfs/dbraw/zinc/16/03/30/1196160330.db2.gz	NWHJDOQELVXCHV-CMKODMSKSA-N	0	1	375.469	0.952	20	30		GCEDMN
CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000329201602	1196175226	/nfs/dbraw/zinc/17/52/26/1196175226.db2.gz	VQUXKNOUPPGKBC-UPJWGTAASA-N	0	1	383.474	0.935	20	30		GCEDMN
CCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)CC2	ZINC000329305877	1196184361	/nfs/dbraw/zinc/18/43/61/1196184361.db2.gz	YMIFFLSLTLUTMQ-UPJWGTAASA-N	0	1	384.506	0.519	20	30		GCEDMN
Cc1nnc2n1C[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)CC2	ZINC000329427861	1196194819	/nfs/dbraw/zinc/19/48/19/1196194819.db2.gz	JJGAAWLRSAFLDG-UONOGXRCSA-N	0	1	384.506	0.419	20	30		GCEDMN
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000329716357	1196226033	/nfs/dbraw/zinc/22/60/33/1196226033.db2.gz	WITUCUVOIHMULW-HUUCEWRRSA-N	0	1	397.501	0.455	20	30		GCEDMN
O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCN(C[C@H]2CCOC2)CC1	ZINC000329735956	1196228884	/nfs/dbraw/zinc/22/88/84/1196228884.db2.gz	LFUDCVHAJNAEEN-CQSZACIVSA-N	0	1	375.425	0.901	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[C@@H](CN3CCOCC3)C1)CC2	ZINC000329851516	1196234627	/nfs/dbraw/zinc/23/46/27/1196234627.db2.gz	TVECCOCNTWFECO-JKSUJKDBSA-N	0	1	392.504	0.698	20	30		GCEDMN
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)CN2CCN(C)CC2)o1	ZINC000329926109	1196239656	/nfs/dbraw/zinc/23/96/56/1196239656.db2.gz	VXYSUTIBGNDEDK-KBMXLJTQSA-N	0	1	397.499	0.777	20	30		GCEDMN
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)CN2CCN(C)CC2)o1	ZINC000329926108	1196239835	/nfs/dbraw/zinc/23/98/35/1196239835.db2.gz	VXYSUTIBGNDEDK-BPUTZDHNSA-N	0	1	397.499	0.777	20	30		GCEDMN
CN1CCN(CCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1	ZINC000330045491	1196248335	/nfs/dbraw/zinc/24/83/35/1196248335.db2.gz	DIJRFCXHMFUNLM-QGZVFWFLSA-N	0	1	381.477	0.010	20	30		GCEDMN
C[C@H](CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C)CC1	ZINC000330044125	1196248466	/nfs/dbraw/zinc/24/84/66/1196248466.db2.gz	CQNDULDKXMRFNB-RDTXWAMCSA-N	0	1	395.504	0.399	20	30		GCEDMN
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1CCc3nc(COC)nn3C1)CC2	ZINC000330069041	1196249911	/nfs/dbraw/zinc/24/99/11/1196249911.db2.gz	GVRPPTDNQUSWKM-QLFBSQMISA-N	0	1	393.488	0.905	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(C)CC1	ZINC000330170607	1196257461	/nfs/dbraw/zinc/25/74/61/1196257461.db2.gz	DVGAWENRXIYBPR-CVEARBPZSA-N	0	1	389.566	0.138	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](OC)[C@@H](OC)C3)cn2)CC1	ZINC000330193158	1196258713	/nfs/dbraw/zinc/25/87/13/1196258713.db2.gz	YJGBDTOWARLWDS-CALCHBBNSA-N	0	1	377.489	0.983	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1	ZINC000330322389	1196284409	/nfs/dbraw/zinc/28/44/09/1196284409.db2.gz	SMMHBTVHOXAOLH-MRXNPFEDSA-N	0	1	382.505	0.582	20	30		GCEDMN
COC(=O)[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H]1C	ZINC000469855655	1196314148	/nfs/dbraw/zinc/31/41/48/1196314148.db2.gz	QIYSFFIHNSDBKL-JSGCOSHPSA-N	0	1	375.429	0.387	20	30		GCEDMN
COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H]1C	ZINC000469855654	1196317418	/nfs/dbraw/zinc/31/74/18/1196317418.db2.gz	QIYSFFIHNSDBKL-GXTWGEPZSA-N	0	1	375.429	0.387	20	30		GCEDMN
COC[C@@H](C)NC(=O)NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000021405111	1196552402	/nfs/dbraw/zinc/55/24/02/1196552402.db2.gz	WVKBBDXPHKUANB-MRXNPFEDSA-N	0	1	387.484	0.927	20	30		GCEDMN
Cc1cc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1C#N	ZINC000446792701	1196670318	/nfs/dbraw/zinc/67/03/18/1196670318.db2.gz	ZSKKFWUUIVZHCR-UHFFFAOYSA-N	0	1	385.405	0.613	20	30		GCEDMN
CN1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448619994	1196821184	/nfs/dbraw/zinc/82/11/84/1196821184.db2.gz	BAQWSDTWPBMSQA-OAHLLOKOSA-N	0	1	389.887	0.928	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448953374	1196841596	/nfs/dbraw/zinc/84/15/96/1196841596.db2.gz	IACYHXIKECVEMF-GDBMZVCRSA-N	0	1	389.887	0.927	20	30		GCEDMN
CN(C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1)S(C)(=O)=O	ZINC000528503261	1196864054	/nfs/dbraw/zinc/86/40/54/1196864054.db2.gz	DZTNUGODQGAFQL-DOTOQJQBSA-N	0	1	381.498	0.901	20	30		GCEDMN
COCCO[C@@H]1C[C@H](CO)CN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528481664	1196864071	/nfs/dbraw/zinc/86/40/71/1196864071.db2.gz	RJNAJNFOTFFRFQ-DLBZAZTESA-N	0	1	386.448	0.632	20	30		GCEDMN
CN(C[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1)S(C)(=O)=O	ZINC000528503266	1196864087	/nfs/dbraw/zinc/86/40/87/1196864087.db2.gz	DZTNUGODQGAFQL-WBVHZDCISA-N	0	1	381.498	0.901	20	30		GCEDMN
COCCO[C@H]1C[C@@H](CO)CN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528481667	1196864231	/nfs/dbraw/zinc/86/42/31/1196864231.db2.gz	RJNAJNFOTFFRFQ-SJORKVTESA-N	0	1	386.448	0.632	20	30		GCEDMN
CN(C[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1)S(C)(=O)=O	ZINC000528503263	1196864546	/nfs/dbraw/zinc/86/45/46/1196864546.db2.gz	DZTNUGODQGAFQL-NVXWUHKLSA-N	0	1	381.498	0.901	20	30		GCEDMN
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000528488369	1196865095	/nfs/dbraw/zinc/86/50/95/1196865095.db2.gz	RZVZPQINWCIABS-SJORKVTESA-N	0	1	379.482	0.798	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@]2(CO)COc3ccccc3C2)CC1	ZINC000528645715	1196874454	/nfs/dbraw/zinc/87/44/54/1196874454.db2.gz	NUYIFMIDVHLJIT-GHTZIAJQSA-N	0	1	386.496	0.635	20	30		GCEDMN
Cc1nn(C)c(N2CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)CC2)c1C#N	ZINC000530363533	1196982165	/nfs/dbraw/zinc/98/21/65/1196982165.db2.gz	DTGDDQQPJHQRPO-UHFFFAOYSA-N	0	1	379.428	0.686	20	30		GCEDMN
CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2	ZINC000180675849	1197201941	/nfs/dbraw/zinc/20/19/41/1197201941.db2.gz	DITNTKIJYNEDQS-GBESFXJTSA-N	0	1	392.544	0.931	20	30		GCEDMN
N#CC1(CS(=O)(=O)NCCCCN2CCN(CCO)CC2)CCCCC1	ZINC000475822202	1197247022	/nfs/dbraw/zinc/24/70/22/1197247022.db2.gz	SXHGTHDXGJTXIU-UHFFFAOYSA-N	0	1	386.562	0.770	20	30		GCEDMN
CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349479216	1197259190	/nfs/dbraw/zinc/25/91/90/1197259190.db2.gz	IRSYUFWISUVGMO-UHFFFAOYSA-N	0	1	395.466	0.695	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2CN2CCOCC2)CC1	ZINC000246209013	1197455197	/nfs/dbraw/zinc/45/51/97/1197455197.db2.gz	YLOSJYCRPMQJOH-RBUKOAKNSA-N	0	1	377.533	0.475	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCC3)CC2)cc1	ZINC000533566304	1197458733	/nfs/dbraw/zinc/45/87/33/1197458733.db2.gz	SZYVZZSRBIPVAA-UHFFFAOYSA-N	0	1	376.482	0.781	20	30		GCEDMN
C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)[O-])C1CCN(S(=O)(=O)CC)CC1	ZINC000262951986	1197539320	/nfs/dbraw/zinc/53/93/20/1197539320.db2.gz	OVLZAQRJDMGYGW-UHFFFAOYSA-N	0	1	387.502	0.388	20	30		GCEDMN
C=CCN(CC=C)C(=O)C[N@H+](CC(=O)[O-])C1CCN(S(=O)(=O)CC)CC1	ZINC000262951986	1197539321	/nfs/dbraw/zinc/53/93/21/1197539321.db2.gz	OVLZAQRJDMGYGW-UHFFFAOYSA-N	0	1	387.502	0.388	20	30		GCEDMN
C#CC[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1	ZINC000271733257	1197559006	/nfs/dbraw/zinc/55/90/06/1197559006.db2.gz	SSVZIYWMVPROGC-OALUTQOASA-N	0	1	389.521	0.672	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271770207	1197559079	/nfs/dbraw/zinc/55/90/79/1197559079.db2.gz	CXIPUMDQBIMLAX-OLZOCXBDSA-N	0	1	382.486	0.988	20	30		GCEDMN
CC(C)[C@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(N)=O	ZINC000459479356	1197581672	/nfs/dbraw/zinc/58/16/72/1197581672.db2.gz	KLTATZYTTPILEN-KDOFPFPSSA-N	0	1	377.514	0.947	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2(C#N)CCN(C)CC2)[C@@H](C)O)cc1	ZINC000542784000	1199041003	/nfs/dbraw/zinc/04/10/03/1199041003.db2.gz	YSRPDLHZLUGMBV-GDBMZVCRSA-N	0	1	394.497	0.127	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000065588247	1199332493	/nfs/dbraw/zinc/33/24/93/1199332493.db2.gz	JFHHPGWWVFATST-UHFFFAOYSA-N	0	1	378.436	0.960	20	30		GCEDMN
C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1=O	ZINC001003364569	1199506117	/nfs/dbraw/zinc/50/61/17/1199506117.db2.gz	INGDORQAMCXYTH-LEUOFYLZSA-N	0	1	377.485	0.405	20	30		GCEDMN
COc1cc(C#N)ccc1OCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000265846551	1199653495	/nfs/dbraw/zinc/65/34/95/1199653495.db2.gz	OXQYOVQQAQVOLQ-CVEARBPZSA-N	0	1	395.481	0.033	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H](OC)C1	ZINC000946585039	1199824194	/nfs/dbraw/zinc/82/41/94/1199824194.db2.gz	HHFCBDVDWCJFDD-XNISGKROSA-N	0	1	392.456	0.453	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000509168736	1199975630	/nfs/dbraw/zinc/97/56/30/1199975630.db2.gz	WKXLYBSXVGGBSE-CQSZACIVSA-N	0	1	387.550	0.681	20	30		GCEDMN
N#CCCn1ccc(NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1	ZINC000530782610	1200667800	/nfs/dbraw/zinc/66/78/00/1200667800.db2.gz	KRWHHYKMXOJFDJ-UHFFFAOYSA-N	0	1	382.359	0.976	20	30		GCEDMN
N#CCCn1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)n1	ZINC000530782610	1200667801	/nfs/dbraw/zinc/66/78/01/1200667801.db2.gz	KRWHHYKMXOJFDJ-UHFFFAOYSA-N	0	1	382.359	0.976	20	30		GCEDMN
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1	ZINC000591303574	1200761261	/nfs/dbraw/zinc/76/12/61/1200761261.db2.gz	NIQYZWSWYMNZQH-MRXNPFEDSA-N	0	1	381.440	0.593	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)nn1CCC#N	ZINC000427700480	1200783366	/nfs/dbraw/zinc/78/33/66/1200783366.db2.gz	AYEKEYBYGNMFIK-OAHLLOKOSA-N	0	1	388.472	0.755	20	30		GCEDMN
C[C@@H](CC#N)N(C)S(=O)(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000509354340	1200894808	/nfs/dbraw/zinc/89/48/08/1200894808.db2.gz	IQXPGVAKKKERTF-INIZCTEOSA-N	0	1	395.533	0.447	20	30		GCEDMN
C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000349515390	1201048399	/nfs/dbraw/zinc/04/83/99/1201048399.db2.gz	HIIQTCGGNVXJFB-ZDUSSCGKSA-N	0	1	399.498	0.887	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000538136545	1201112298	/nfs/dbraw/zinc/11/22/98/1201112298.db2.gz	NNCCTIHEOOMTSX-KRWDZBQOSA-N	0	1	386.504	0.420	20	30		GCEDMN
C[C@H]1CN(CCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H](C)O1	ZINC000542824569	1201145514	/nfs/dbraw/zinc/14/55/14/1201145514.db2.gz	RLGTUNYRLQFEHG-KBPBESRZSA-N	0	1	377.493	0.937	20	30		GCEDMN
Cn1cc(C#N)c(=NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)[nH]1	ZINC000610842734	1201153922	/nfs/dbraw/zinc/15/39/22/1201153922.db2.gz	YPBMUEJHVLKBIL-UHFFFAOYSA-N	0	1	391.439	0.589	20	30		GCEDMN
COCCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000611371015	1201232691	/nfs/dbraw/zinc/23/26/91/1201232691.db2.gz	HIUAODBBEMCBML-SFHVURJKSA-N	0	1	393.532	0.153	20	30		GCEDMN
COCCN(C(=O)CN[C@@H](C)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000611388025	1201235942	/nfs/dbraw/zinc/23/59/42/1201235942.db2.gz	WCZQQPLONPAMEA-YOEHRIQHSA-N	0	1	379.482	0.871	20	30		GCEDMN
C#CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1	ZINC001079135961	1201247670	/nfs/dbraw/zinc/24/76/70/1201247670.db2.gz	XSYQATBSFVKYNQ-VBSBHUPXSA-N	0	1	383.492	0.998	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001079721028	1201255424	/nfs/dbraw/zinc/25/54/24/1201255424.db2.gz	HODUTYWZUQIDKT-FPCVCCKLSA-N	0	1	392.500	0.735	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]21	ZINC001084352576	1201410028	/nfs/dbraw/zinc/41/00/28/1201410028.db2.gz	GWRZISPXICPVHR-FPCVCCKLSA-N	0	1	376.457	0.052	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]21	ZINC001084715873	1201442656	/nfs/dbraw/zinc/44/26/56/1201442656.db2.gz	BEKMVXJYHCFXQE-OLMMMNRUSA-N	0	1	375.469	0.649	20	30		GCEDMN
COc1cccc2c1OCC(C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)=C2	ZINC000732911281	1201569085	/nfs/dbraw/zinc/56/90/85/1201569085.db2.gz	YVNYUBUUNFRLTP-CQSZACIVSA-N	0	1	390.417	0.437	20	30		GCEDMN
COc1cccc2c1OCC(C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)=C2	ZINC000732911280	1201569552	/nfs/dbraw/zinc/56/95/52/1201569552.db2.gz	YVNYUBUUNFRLTP-AWEZNQCLSA-N	0	1	390.417	0.437	20	30		GCEDMN
N#Cc1ccc(NCCNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)nc1	ZINC000734658072	1201658199	/nfs/dbraw/zinc/65/81/99/1201658199.db2.gz	OUCMPLRBSJLNMB-KRWDZBQOSA-N	0	1	387.488	0.071	20	30		GCEDMN
C#CCOc1ccccc1CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC000734671428	1201659339	/nfs/dbraw/zinc/65/93/39/1201659339.db2.gz	RAKNRBCRGKVRMX-LJQANCHMSA-N	0	1	386.496	0.904	20	30		GCEDMN
C[C@H](C#N)Oc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1	ZINC000734843493	1201663956	/nfs/dbraw/zinc/66/39/56/1201663956.db2.gz	LUIZWETUJYOMRJ-JLSDUUJJSA-N	0	1	379.482	0.565	20	30		GCEDMN
C[C@H](C#N)Oc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1	ZINC000734843492	1201664117	/nfs/dbraw/zinc/66/41/17/1201664117.db2.gz	LUIZWETUJYOMRJ-FHLIZLRMSA-N	0	1	379.482	0.565	20	30		GCEDMN
Cc1cccc2[nH]c(C(C#N)C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)nc21	ZINC000735791613	1201701805	/nfs/dbraw/zinc/70/18/05/1201701805.db2.gz	ACMZDQQFYUDDKP-NSHDSACASA-N	0	1	391.391	0.495	20	30		GCEDMN
Cc1cccc2nc([C@@H](C#N)C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)[nH]c21	ZINC000735791613	1201701808	/nfs/dbraw/zinc/70/18/08/1201701808.db2.gz	ACMZDQQFYUDDKP-NSHDSACASA-N	0	1	391.391	0.495	20	30		GCEDMN
Cc1cccc2[nH]c(C(C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc21	ZINC000735790974	1201702043	/nfs/dbraw/zinc/70/20/43/1201702043.db2.gz	SOSXTYIJVZGDQK-NSHDSACASA-N	0	1	391.391	0.495	20	30		GCEDMN
Cc1cccc2nc([C@@H](C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c21	ZINC000735790974	1201702044	/nfs/dbraw/zinc/70/20/44/1201702044.db2.gz	SOSXTYIJVZGDQK-NSHDSACASA-N	0	1	391.391	0.495	20	30		GCEDMN
Cc1cccc2nc(C(C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c21	ZINC000735790974	1201702047	/nfs/dbraw/zinc/70/20/47/1201702047.db2.gz	SOSXTYIJVZGDQK-NSHDSACASA-N	0	1	391.391	0.495	20	30		GCEDMN
C[C@H](CC(=O)NC1(C#N)CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000742646579	1201803691	/nfs/dbraw/zinc/80/36/91/1201803691.db2.gz	QOJRNJZFDWRSFG-CYBMUJFWSA-N	0	1	389.481	0.608	20	30		GCEDMN
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC(C)(C)N1CCN(C)CC1	ZINC000743881423	1201825202	/nfs/dbraw/zinc/82/52/02/1201825202.db2.gz	OPOJWQMGFCDLTB-UHFFFAOYSA-N	0	1	390.459	0.918	20	30		GCEDMN
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cn(CC(N)=O)nn1	ZINC000744029923	1201833237	/nfs/dbraw/zinc/83/32/37/1201833237.db2.gz	WZUFOSTXDUAUMW-VIFPVBQESA-N	0	1	390.787	0.695	20	30		GCEDMN
CN(C)S(=O)(=O)CCCON=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000744446131	1201843553	/nfs/dbraw/zinc/84/35/53/1201843553.db2.gz	PQIHFHGIRQOLTI-UHFFFAOYSA-N	0	1	384.502	0.566	20	30		GCEDMN
C=CCSCC(=O)N1CCc2n[nH]c(C(=O)N3CC4(CC(O)C4)C3)c2C1	ZINC001273422431	1201844309	/nfs/dbraw/zinc/84/43/09/1201844309.db2.gz	OPQJQMUNTWPDSC-UHFFFAOYSA-N	0	1	376.482	0.811	20	30		GCEDMN
C=CCSCC(=O)N1Cc2n[nH]c(C(=O)N3CC(N4CC(F)C4)C3)c2C1	ZINC001273422646	1201845333	/nfs/dbraw/zinc/84/53/33/1201845333.db2.gz	WUNWSBPZNUAQAW-UHFFFAOYSA-N	0	1	379.461	0.649	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001273426888	1201859610	/nfs/dbraw/zinc/85/96/10/1201859610.db2.gz	DKWFBCHUFCRQKQ-PBFPGSCMSA-N	0	1	395.506	0.440	20	30		GCEDMN
COc1cc(C(=O)OCC(=O)NCCC#N)cc(NS(C)(=O)=O)c1OC	ZINC000745536786	1201880758	/nfs/dbraw/zinc/88/07/58/1201880758.db2.gz	FKTUMVSGVJGMNE-UHFFFAOYSA-N	0	1	385.398	0.262	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCCNc2ccc(C#N)cn2)c1	ZINC000767028322	1201965069	/nfs/dbraw/zinc/96/50/69/1201965069.db2.gz	CBLSTEZIULFRCO-UHFFFAOYSA-N	0	1	389.437	0.751	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C(C)(C)O)cc1	ZINC000767386332	1201972521	/nfs/dbraw/zinc/97/25/21/1201972521.db2.gz	CWKJUKGXHQUHHY-UHFFFAOYSA-N	0	1	394.453	0.014	20	30		GCEDMN
C#CCN1CCC(C(=O)N(CCN(CC)CC)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000767864526	1201990311	/nfs/dbraw/zinc/99/03/11/1201990311.db2.gz	DIXSHAFTSBODFT-SFHVURJKSA-N	0	1	383.558	0.689	20	30		GCEDMN
CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O	ZINC001109261331	1202010107	/nfs/dbraw/zinc/01/01/07/1202010107.db2.gz	YWMAKZXSRGLGEA-WCVJEAGWSA-N	0	1	375.469	0.267	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[N-]C(=O)C(F)(F)F	ZINC001109267614	1202010639	/nfs/dbraw/zinc/01/06/39/1202010639.db2.gz	QYLSMALKTIYMFO-MQYQWHSLSA-N	0	1	375.391	0.815	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC[N-]C(=O)C(F)(F)F	ZINC001109267614	1202010640	/nfs/dbraw/zinc/01/06/40/1202010640.db2.gz	QYLSMALKTIYMFO-MQYQWHSLSA-N	0	1	375.391	0.815	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C)C2	ZINC001109450618	1202054479	/nfs/dbraw/zinc/05/44/79/1202054479.db2.gz	ZEAKZXXNBCBECH-UGUYLWEFSA-N	0	1	377.489	0.204	20	30		GCEDMN
O=C(CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn[nH]1)C2)NCC#Cc1ccccc1	ZINC001109479958	1202060338	/nfs/dbraw/zinc/06/03/38/1202060338.db2.gz	NEIIWDHVHDRXPU-RYRKJORJSA-N	0	1	378.436	0.308	20	30		GCEDMN
C#CCNC(=O)CN(C1CC1)S(=O)(=O)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000769564727	1202062481	/nfs/dbraw/zinc/06/24/81/1202062481.db2.gz	WXGJCGWSOUAOGL-GOSISDBHSA-N	0	1	375.494	0.805	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1ccc2c(c1)OCO2)c1ccn[nH]1	ZINC000770822267	1202114819	/nfs/dbraw/zinc/11/48/19/1202114819.db2.gz	AJDGTASYYXPAQF-UHFFFAOYSA-N	0	1	388.380	0.781	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccn[nH]1	ZINC000770822883	1202114836	/nfs/dbraw/zinc/11/48/36/1202114836.db2.gz	VFMIHDYZVPULLS-UHFFFAOYSA-N	0	1	391.428	0.211	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(C(=O)NC)cc1)c1ccn[nH]1	ZINC000770823235	1202114964	/nfs/dbraw/zinc/11/49/64/1202114964.db2.gz	HTRMKVXPAGSMHP-UHFFFAOYSA-N	0	1	387.396	0.370	20	30		GCEDMN
CCCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771890394	1202166374	/nfs/dbraw/zinc/16/63/74/1202166374.db2.gz	QAVFHEFLMZLOBF-UHFFFAOYSA-N	0	1	394.453	0.575	20	30		GCEDMN
CCCCO[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(C)C	ZINC000771888705	1202166508	/nfs/dbraw/zinc/16/65/08/1202166508.db2.gz	FTODIPRAKKTZJT-ZDUSSCGKSA-N	0	1	386.474	0.334	20	30		GCEDMN
Cc1cc(C)c2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCO2	ZINC000771890222	1202167723	/nfs/dbraw/zinc/16/77/23/1202167723.db2.gz	FJLSPGNFHCKYDO-UHFFFAOYSA-N	0	1	392.437	0.166	20	30		GCEDMN
COc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2	ZINC000771891480	1202167943	/nfs/dbraw/zinc/16/79/43/1202167943.db2.gz	NYKGEGLYEYAYOB-UHFFFAOYSA-N	0	1	392.437	0.112	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2c[nH]c3ccc(F)cc23)c(=O)n(C)c1=O	ZINC000771892365	1202168383	/nfs/dbraw/zinc/16/83/83/1202168383.db2.gz	ZOVNCBLJIJLNAR-UHFFFAOYSA-N	0	1	379.373	0.017	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cc(F)cc3cccnc23)c(=O)n(C)c1=O	ZINC000771891004	1202168497	/nfs/dbraw/zinc/16/84/97/1202168497.db2.gz	QOCYQEPNBVNTBM-UHFFFAOYSA-N	0	1	391.384	0.084	20	30		GCEDMN
Cc1cc(C)c2c(c1)OCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771896681	1202168507	/nfs/dbraw/zinc/16/85/07/1202168507.db2.gz	GIADAMJDQBVVKP-UHFFFAOYSA-N	0	1	392.437	0.166	20	30		GCEDMN
CC(C)Oc1ccccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771893297	1202168533	/nfs/dbraw/zinc/16/85/33/1202168533.db2.gz	YFZFPVHEZKMSIY-UHFFFAOYSA-N	0	1	380.426	0.184	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(F)ccc1F	ZINC000771891204	1202168590	/nfs/dbraw/zinc/16/85/90/1202168590.db2.gz	SRKBEUBRSTWTQG-UHFFFAOYSA-N	0	1	386.380	0.455	20	30		GCEDMN
CC(C)CO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(C)C	ZINC000771897657	1202169015	/nfs/dbraw/zinc/16/90/15/1202169015.db2.gz	QBGXMIDUQZPTFL-CYBMUJFWSA-N	0	1	386.474	0.189	20	30		GCEDMN
CC(CCc1ccc(C)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771898366	1202169082	/nfs/dbraw/zinc/16/90/82/1202169082.db2.gz	XRIOEGCVIQBGAX-UHFFFAOYSA-N	0	1	378.454	0.679	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@H]2c2ccc(F)cc2)c(=O)n(C)c1=O	ZINC000771897258	1202169087	/nfs/dbraw/zinc/16/90/87/1202169087.db2.gz	KQTOOUSXTFYMCF-ZDUSSCGKSA-N	0	1	394.428	0.825	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCCOc3ccc(F)cc32)c(=O)n(C)c1=O	ZINC000771897779	1202169128	/nfs/dbraw/zinc/16/91/28/1202169128.db2.gz	RFRVLTQDJFATHM-UHFFFAOYSA-N	0	1	396.400	0.078	20	30		GCEDMN
CC(CCc1ccc(O)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771898893	1202169138	/nfs/dbraw/zinc/16/91/38/1202169138.db2.gz	WODTVBZDVBMEDH-UHFFFAOYSA-N	0	1	380.426	0.077	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1	ZINC000772109894	1202174621	/nfs/dbraw/zinc/17/46/21/1202174621.db2.gz	KUDIRAZVHSKFMM-INIZCTEOSA-N	0	1	385.468	0.402	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772114955	1202174890	/nfs/dbraw/zinc/17/48/90/1202174890.db2.gz	SATIPRFQIVBOFX-CVEARBPZSA-N	0	1	384.498	0.203	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772109642	1202174961	/nfs/dbraw/zinc/17/49/61/1202174961.db2.gz	MJHMUBUOUBUJPO-VQIMIIECSA-N	0	1	398.525	0.593	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1C1OCCO1)c1cc[nH]n1	ZINC000772177192	1202175236	/nfs/dbraw/zinc/17/52/36/1202175236.db2.gz	RUOMZXVSYWXFAH-ZDUSSCGKSA-N	0	1	380.401	0.448	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1CC(=O)OC)c1cc[nH]n1	ZINC000772146583	1202175785	/nfs/dbraw/zinc/17/57/85/1202175785.db2.gz	UEZCSUFCFPRNIC-LBPRGKRZSA-N	0	1	380.401	0.638	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnn(Cc2ccccn2)c1)c1ccn[nH]1	ZINC000772155153	1202176576	/nfs/dbraw/zinc/17/65/76/1202176576.db2.gz	NHKMUXIWFMCOEA-UHFFFAOYSA-N	0	1	397.395	0.972	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCc2ccccc2[C@@H]1C(N)=O)c1cc[nH]n1	ZINC000772226381	1202176864	/nfs/dbraw/zinc/17/68/64/1202176864.db2.gz	ODJUHKRFHQDNNS-QGZVFWFLSA-N	0	1	399.407	0.305	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cc[nH]n1	ZINC000772266996	1202177839	/nfs/dbraw/zinc/17/78/39/1202177839.db2.gz	MHBRZULUXZTCIJ-ZDUSSCGKSA-N	0	1	391.428	0.307	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C#N)cc1Cl	ZINC000788433805	1205422476	/nfs/dbraw/zinc/42/24/76/1205422476.db2.gz	DJROAJMZBUNZBE-UHFFFAOYSA-N	0	1	395.828	0.312	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CCCO1	ZINC000789708015	1205445879	/nfs/dbraw/zinc/44/58/79/1205445879.db2.gz	UQXMLAMNZCIRDZ-JKSUJKDBSA-N	0	1	379.526	0.761	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CCCO1	ZINC000789708001	1205445905	/nfs/dbraw/zinc/44/59/05/1205445905.db2.gz	UQXMLAMNZCIRDZ-HZPDHXFCSA-N	0	1	379.526	0.761	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccn[nH]1	ZINC000789952586	1205453067	/nfs/dbraw/zinc/45/30/67/1205453067.db2.gz	FIDYZGOJJMOZKW-ZDUSSCGKSA-N	0	1	387.396	0.988	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCN1CCc2ccccc2C1)c1cc[nH]n1	ZINC000789955329	1205453314	/nfs/dbraw/zinc/45/33/14/1205453314.db2.gz	UMZFEIHHMUWYLQ-UHFFFAOYSA-N	0	1	399.451	0.868	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnn(-c2ncccn2)c1)c1ccn[nH]1	ZINC000789983742	1205453686	/nfs/dbraw/zinc/45/36/86/1205453686.db2.gz	KYYFJQDWMMKISZ-UHFFFAOYSA-N	0	1	384.356	0.308	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H]1COC2(CCCCC2)O1)c1ccn[nH]1	ZINC000789997573	1205454065	/nfs/dbraw/zinc/45/40/65/1205454065.db2.gz	JXAQCAHMOQWTEQ-CYBMUJFWSA-N	0	1	394.428	0.886	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@@H](O)c3ncc[nH]3)CC2)CC1	ZINC000790079615	1205455557	/nfs/dbraw/zinc/45/55/57/1205455557.db2.gz	LBZSGUGANPZNQF-IEBWSBKVSA-N	0	1	388.516	0.847	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccn(CC)c1=O)c1ccn[nH]1	ZINC000790081869	1205455856	/nfs/dbraw/zinc/45/58/56/1205455856.db2.gz	WFAANUAWESLZJQ-UHFFFAOYSA-N	0	1	375.385	0.192	20	30		GCEDMN
C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C[C@]2(CN3CCC2CC3)OC1=O	ZINC000790366243	1205463468	/nfs/dbraw/zinc/46/34/68/1205463468.db2.gz	HOADVYZVTYFAOC-QRWLVFNGSA-N	0	1	397.483	0.733	20	30		GCEDMN
CC(C)O[C@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000793035672	1205495615	/nfs/dbraw/zinc/49/56/15/1205495615.db2.gz	ZDJQROZNYBKZIG-CQSZACIVSA-N	0	1	394.453	0.514	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCOc2cc(O)ccc2C1)c1cc[nH]n1	ZINC000804566926	1205518006	/nfs/dbraw/zinc/51/80/06/1205518006.db2.gz	FKKMLNCPMYYCMQ-UHFFFAOYSA-N	0	1	388.380	0.820	20	30		GCEDMN
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1	ZINC001129849995	1205520870	/nfs/dbraw/zinc/52/08/70/1205520870.db2.gz	INFDKGZPBFHCGL-JJXSEGSLSA-N	0	1	387.488	0.332	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@@H](n2ccnn2)C1	ZINC001129854857	1205521153	/nfs/dbraw/zinc/52/11/53/1205521153.db2.gz	BCOSSXFTCIESKT-NCOADZHNSA-N	0	1	390.488	0.125	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@@H]1n1ccnn1	ZINC001130017537	1205528708	/nfs/dbraw/zinc/52/87/08/1205528708.db2.gz	MGQUAARQXVKKRI-MANSERQUSA-N	0	1	380.452	0.468	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n[nH]1	ZINC000805846568	1205545705	/nfs/dbraw/zinc/54/57/05/1205545705.db2.gz	PSAHRQKLFNBCEC-KRWDZBQOSA-N	0	1	394.435	0.772	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cn(C)cn1	ZINC001130675127	1205559627	/nfs/dbraw/zinc/55/96/27/1205559627.db2.gz	NTJNVYODILAYGQ-ATLSCFEFSA-N	0	1	387.484	0.197	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NCCC)C1	ZINC001130680153	1205559635	/nfs/dbraw/zinc/55/96/35/1205559635.db2.gz	CIKHQEFEMQPZNZ-ATLSCFEFSA-N	0	1	389.500	0.421	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1c1cncn1C	ZINC001131033454	1205589135	/nfs/dbraw/zinc/58/91/35/1205589135.db2.gz	PLEIAHWNYDMLLM-KONPQCLYSA-N	0	1	389.500	0.421	20	30		GCEDMN
CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1N[C@H](C#N)C(N)=O	ZINC001170532994	1205589996	/nfs/dbraw/zinc/58/99/96/1205589996.db2.gz	RWFNGDVLMHHKTF-SWLSCSKDSA-N	0	1	388.472	0.670	20	30		GCEDMN
N#Cc1ccc(NCCNC(=O)CNS(=O)(=O)c2c(F)cccc2F)nc1	ZINC000810087079	1205633698	/nfs/dbraw/zinc/63/36/98/1205633698.db2.gz	MYOZAOFXOCCORJ-UHFFFAOYSA-N	0	1	395.391	0.738	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1cc(-n2ccnc2)nc(C)[nH+]1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170744213	1205690615	/nfs/dbraw/zinc/69/06/15/1205690615.db2.gz	PROAIJYJVNDAJV-SJKOYZFVSA-N	0	1	388.453	0.936	20	30		GCEDMN
C=C(C)CCN1CC(N2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2=O)C1	ZINC001094766923	1205707819	/nfs/dbraw/zinc/70/78/19/1205707819.db2.gz	QBGXLKRONOZNQO-JHDROBOHSA-N	0	1	377.485	0.405	20	30		GCEDMN
C[C@H]1[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C(=O)N1S(=O)(=O)[O-]	ZINC001172968084	1205717937	/nfs/dbraw/zinc/71/79/37/1205717937.db2.gz	IIRUMSHOVSGTOY-BJDJZHNGSA-N	0	1	388.446	0.270	20	30		GCEDMN
C=CCOC1CCC(n2cncc2C[C@H](N)C(=O)N2CCC[C@H]2C(N)=O)CC1	ZINC001173317604	1205719577	/nfs/dbraw/zinc/71/95/77/1205719577.db2.gz	LIRQPLDZTCAESJ-KXIUCKCTSA-N	0	1	389.500	0.916	20	30		GCEDMN
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1	ZINC001176353867	1205746602	/nfs/dbraw/zinc/74/66/02/1205746602.db2.gz	ICZMLEDXBSOBFM-HUUCEWRRSA-N	0	1	390.444	0.428	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnc2cc(CC)nn2c1)c1ccn[nH]1	ZINC001177256929	1205764933	/nfs/dbraw/zinc/76/49/33/1205764933.db2.gz	CNRSDVCNMJONQY-KQWNVCNZSA-N	0	1	385.384	0.937	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nnc2c(C)cccn12)c1ccn[nH]1	ZINC001177254715	1205765014	/nfs/dbraw/zinc/76/50/14/1205765014.db2.gz	WKWFECVLZNZRRP-HAHDFKILSA-N	0	1	385.384	0.361	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCOC[C@@H]1c1cccnc1)c1cc[nH]n1	ZINC001177263158	1205765416	/nfs/dbraw/zinc/76/54/16/1205765416.db2.gz	MQLWXLMYFYBYJO-XQEBGNCTSA-N	0	1	387.396	0.689	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc2c1C(=O)N(C)C2)c1ccn[nH]1	ZINC001177263169	1205765509	/nfs/dbraw/zinc/76/55/09/1205765509.db2.gz	QETWBJUPSSBMTC-JWGURIENSA-N	0	1	385.380	0.918	20	30		GCEDMN
CCCCOC(=O)[C@@H]1CCN(C(=O)/C(=N\OCC(=O)OCC)c2cc[nH]n2)C1	ZINC001177263284	1205765515	/nfs/dbraw/zinc/76/55/15/1205765515.db2.gz	PKJNBKSUARUSPB-QIAIEURZSA-N	0	1	394.428	0.885	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC(N2C[C@@H](C)O[C@H](C)C2)C1)c1cc[nH]n1	ZINC001177263140	1205765610	/nfs/dbraw/zinc/76/56/10/1205765610.db2.gz	MJWGNYWIZFMARK-UAQKDTLBSA-N	0	1	393.444	0.014	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1	ZINC001177262805	1205765653	/nfs/dbraw/zinc/76/56/53/1205765653.db2.gz	GUNBNZWRBVXLCZ-ZHZULCJRSA-N	0	1	395.416	0.730	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1(C(=O)OCC)CCC1)c1ccn[nH]1	ZINC001177263819	1205765982	/nfs/dbraw/zinc/76/59/82/1205765982.db2.gz	GGCLCYAJAAUCKR-STZFKDTASA-N	0	1	380.401	0.543	20	30		GCEDMN
CO/N=C(\C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O)c1ccco1	ZINC001177351358	1205768197	/nfs/dbraw/zinc/76/81/97/1205768197.db2.gz	YSGNNKRYVHQBJR-JXAWBTAJSA-N	0	1	382.398	0.252	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)Nc1nc[nH]c1C#N)CCS2(=O)=O	ZINC001179357201	1205808403	/nfs/dbraw/zinc/80/84/03/1205808403.db2.gz	NIILAYHACTXTIJ-SNVBAGLBSA-N	0	1	395.441	0.644	20	30		GCEDMN
COc1ccc(C#CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)ccn2)cc1	ZINC001182051054	1205854812	/nfs/dbraw/zinc/85/48/12/1205854812.db2.gz	ZUADIJCKROGCOA-UHFFFAOYSA-N	0	1	399.472	0.993	20	30		GCEDMN
C=CCSCC(=O)N1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CCN3CC4)[C@H]2C1	ZINC001273475067	1205869586	/nfs/dbraw/zinc/86/95/86/1205869586.db2.gz	VFEAPHGIDPLQKK-ULQDDVLXSA-N	0	1	379.526	0.828	20	30		GCEDMN
N#C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1)C(N)=O	ZINC001182541137	1205876232	/nfs/dbraw/zinc/87/62/32/1205876232.db2.gz	ALLBKYPPYZFLNE-UXHICEINSA-N	0	1	391.475	0.867	20	30		GCEDMN
CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)COc1ccc(C#N)cc1	ZINC001182913224	1205883160	/nfs/dbraw/zinc/88/31/60/1205883160.db2.gz	JQXBGZQWELQREM-UHFFFAOYSA-N	0	1	390.421	0.559	20	30		GCEDMN
CCOC(=O)[C@H](C#N)NC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O	ZINC001183428833	1205892521	/nfs/dbraw/zinc/89/25/21/1205892521.db2.gz	NQHMSKDIKIMVMM-NSHDSACASA-N	0	1	390.783	0.895	20	30		GCEDMN
N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCCNC(=O)C(F)(F)F	ZINC000774909325	1205926463	/nfs/dbraw/zinc/92/64/63/1205926463.db2.gz	OVFRLGVCEVFNIS-UHFFFAOYSA-N	0	1	393.343	0.448	20	30		GCEDMN
CN(CCCN1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001187129397	1205955882	/nfs/dbraw/zinc/95/58/82/1205955882.db2.gz	LJJWDCWFBIBESJ-UHFFFAOYSA-N	0	1	381.458	0.724	20	30		GCEDMN
COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1	ZINC001189109776	1205995606	/nfs/dbraw/zinc/99/56/06/1205995606.db2.gz	DFINKDIVHGADHU-MANSERQUSA-N	0	1	389.496	0.339	20	30		GCEDMN
CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164752017	720801369	/nfs/dbraw/zinc/80/13/69/720801369.db2.gz	YLGBEAKHPLLWEM-KBPBESRZSA-N	0	1	376.424	0.914	20	30		GCEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(C#N)c(C#N)n4)C3)O2)CC1	ZINC001164895394	721438566	/nfs/dbraw/zinc/43/85/66/721438566.db2.gz	OILBISXCBIQLHL-OXQOHEQNSA-N	0	1	381.484	0.985	20	30		GCEDMN
Cn1cc([C@@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC23CCOCC3)cn1	ZINC001571313096	946511233	/nfs/dbraw/zinc/51/12/33/946511233.db2.gz	NNEHEOKZOJOLBC-ZDUSSCGKSA-N	0	1	392.427	0.662	20	30		GCEDMN
N#Cc1cc(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1	ZINC001571313597	946528508	/nfs/dbraw/zinc/52/85/08/946528508.db2.gz	SRUNCBJMGCOSLS-ZDUSSCGKSA-N	0	1	392.427	0.775	20	30		GCEDMN
C#CCN(C(=O)Cc1ccn[nH]1)C1CCN(c2ncccc2-c2nn[nH]n2)CC1	ZINC001573283758	946725917	/nfs/dbraw/zinc/72/59/17/946725917.db2.gz	VLKKGQVNGODGOB-UHFFFAOYSA-N	0	1	391.439	0.658	20	30		GCEDMN
C#CCOCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1	ZINC001573287227	946832218	/nfs/dbraw/zinc/83/22/18/946832218.db2.gz	MJXDYHRHWCLCGJ-HNNXBMFYSA-N	0	1	383.456	0.682	20	30		GCEDMN
C#CCOCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573287552	946840742	/nfs/dbraw/zinc/84/07/42/946840742.db2.gz	NQBXTDQXMPXGQM-SECBINFHSA-N	0	1	381.849	0.711	20	30		GCEDMN
C#CCOCCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573287612	946843079	/nfs/dbraw/zinc/84/30/79/946843079.db2.gz	DWDLTKKCJBDPKW-HDJSIYSDSA-N	0	1	384.444	0.205	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573287692	946846963	/nfs/dbraw/zinc/84/69/63/946846963.db2.gz	KFZRZBLVBUXSMY-AWEZNQCLSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573290228	946900730	/nfs/dbraw/zinc/90/07/30/946900730.db2.gz	UNNITCJYKDVCHO-SMDDNHRTSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#Cc1cncc(C(=O)NCCC2(CNc3ccnc(-c4nn[nH]n4)n3)CC2)c1	ZINC001573292498	946934175	/nfs/dbraw/zinc/93/41/75/946934175.db2.gz	WMQIYSAVLFLBBG-UHFFFAOYSA-N	0	1	389.423	0.467	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573560450	946951346	/nfs/dbraw/zinc/95/13/46/946951346.db2.gz	CQXVLGMVLLGJOE-HNNXBMFYSA-N	0	1	382.472	0.602	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(CCNc1ccnc(-c2nn[nH]n2)n1)CCc1ccccc1	ZINC001573561207	946960726	/nfs/dbraw/zinc/96/07/26/946960726.db2.gz	JDYGUQGZNAHMHW-AWEZNQCLSA-N	0	1	391.439	0.721	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561824	946967271	/nfs/dbraw/zinc/96/72/71/946967271.db2.gz	NRLHQOXMYTYUJC-DGCLKSJQSA-N	0	1	375.408	0.417	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561824	946967277	/nfs/dbraw/zinc/96/72/77/946967277.db2.gz	NRLHQOXMYTYUJC-DGCLKSJQSA-N	0	1	375.408	0.417	20	30		GCEDMN
C=C1CCC(C(=O)N(C)CCOCCNc2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573296437	947046100	/nfs/dbraw/zinc/04/61/00/947046100.db2.gz	QJVKDRIYMKADNB-UHFFFAOYSA-N	0	1	386.460	0.712	20	30		GCEDMN
C=C1CC(C)(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573300532	947115909	/nfs/dbraw/zinc/11/59/09/947115909.db2.gz	YOKMDJYTSZZKNQ-CYBMUJFWSA-N	0	1	384.444	0.464	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573578164	947183457	/nfs/dbraw/zinc/18/34/57/947183457.db2.gz	ZFQQEQPHHXSBAE-UHLUBPPHSA-N	0	1	382.837	0.194	20	30		GCEDMN
C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573309281	947196494	/nfs/dbraw/zinc/19/64/94/947196494.db2.gz	GIILIVRXLBPXRI-ACJLOTCBSA-N	0	1	386.460	0.710	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1	ZINC001573583036	947198688	/nfs/dbraw/zinc/19/86/88/947198688.db2.gz	IJQTXCPYGQNWNG-YUMQZZPRSA-N	0	1	382.837	0.458	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F	ZINC001573584285	947216616	/nfs/dbraw/zinc/21/66/16/947216616.db2.gz	SQMFRRTZBNRUFV-NXEZZACHSA-N	0	1	377.359	0.394	20	30		GCEDMN
CCOC(=O)c1c(C)oc2nc(Cn3cnc(-c4nn[nH]n4)c3C#N)nc(N)c21	ZINC000825553525	947219689	/nfs/dbraw/zinc/21/96/89/947219689.db2.gz	SGKXIBYJNOVCEH-UHFFFAOYSA-N	0	1	394.355	0.587	20	30		GCEDMN
C=CCCOCC(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573336525	947506909	/nfs/dbraw/zinc/50/69/09/947506909.db2.gz	OKZLFYXIBMQXFF-CQSZACIVSA-N	0	1	387.444	0.484	20	30		GCEDMN
C=CCCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573336566	947509133	/nfs/dbraw/zinc/50/91/33/947509133.db2.gz	PAYJABJQBCJBAQ-HZSPNIEDSA-N	0	1	386.460	0.757	20	30		GCEDMN
C=CCOCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1	ZINC001573342866	947547993	/nfs/dbraw/zinc/54/79/93/947547993.db2.gz	FTLDLQGWANUGMD-UONOGXRCSA-N	0	1	386.460	0.710	20	30		GCEDMN
C=CCOC[C@H](NS(=O)(=O)Cc1csc(-c2nn[nH]n2)c1)C(=O)OC	ZINC001573343550	947560477	/nfs/dbraw/zinc/56/04/77/947560477.db2.gz	QCOXJTCJJYBMGS-JTQLQIEISA-N	0	1	387.443	0.092	20	30		GCEDMN
C=CCOc1cccnc1C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1	ZINC001573349024	947591611	/nfs/dbraw/zinc/59/16/11/947591611.db2.gz	YFYOENWBQHDERM-UHFFFAOYSA-N	0	1	380.412	0.828	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573350235	947591847	/nfs/dbraw/zinc/59/18/47/947591847.db2.gz	ADOGQGRQHLFKRL-HLTSFMKQSA-N	0	1	399.864	0.457	20	30		GCEDMN
C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)nn1	ZINC001573351893	947623578	/nfs/dbraw/zinc/62/35/78/947623578.db2.gz	XHCIBTMFMYIXPN-CQSZACIVSA-N	0	1	379.428	0.649	20	30		GCEDMN
C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573616571	947625618	/nfs/dbraw/zinc/62/56/18/947625618.db2.gz	JIYREXFNJFMLEH-WFASDCNBSA-N	0	1	392.427	0.628	20	30		GCEDMN
C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573616570	947625666	/nfs/dbraw/zinc/62/56/66/947625666.db2.gz	JIYREXFNJFMLEH-SWLSCSKDSA-N	0	1	392.427	0.628	20	30		GCEDMN
C[C@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573643095	947863636	/nfs/dbraw/zinc/86/36/36/947863636.db2.gz	UEMMXSMKDGCUQX-BXUZGUMPSA-N	0	1	379.384	0.491	20	30		GCEDMN
N#Cc1ccc(-n2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)c(Cl)c1	ZINC000826384552	948186688	/nfs/dbraw/zinc/18/66/88/948186688.db2.gz	ZYAWGYKLPXFQDS-UHFFFAOYSA-N	0	1	395.774	0.808	20	30		GCEDMN
CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(C#N)c[nH]1	ZINC001573818289	949727841	/nfs/dbraw/zinc/72/78/41/949727841.db2.gz	JYLOHCWHFQCZAA-GFCCVEGCSA-N	0	1	380.416	0.535	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001573852878	950310875	/nfs/dbraw/zinc/31/08/75/950310875.db2.gz	KKLXWTFIHMIJEF-GXSJLCMTSA-N	0	1	382.388	0.699	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)[C@H](O)C1	ZINC001573854013	950334621	/nfs/dbraw/zinc/33/46/21/950334621.db2.gz	WQFDJWLOMADNMM-MWLCHTKSSA-N	0	1	387.404	0.311	20	30		GCEDMN
CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2	ZINC001573863554	950481017	/nfs/dbraw/zinc/48/10/17/950481017.db2.gz	LMULDRYLSCJOEU-BTDLBPIBSA-N	0	1	384.400	0.323	20	30		GCEDMN
C#CCC[NH+]1CCN(C(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC001588390963	958018407	/nfs/dbraw/zinc/01/84/07/958018407.db2.gz	WXVQRAZFAIOPNJ-LJQANCHMSA-N	0	1	395.456	0.245	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C)[C@@H]3C(=O)[O-])CC2)o1	ZINC001594445159	959322102	/nfs/dbraw/zinc/32/21/02/959322102.db2.gz	PCVKHYHSSLXEKD-MLGOLLRUSA-N	0	1	375.429	0.688	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)[C@@H]3C(=O)[O-])CC2)o1	ZINC001594445159	959322122	/nfs/dbraw/zinc/32/21/22/959322122.db2.gz	PCVKHYHSSLXEKD-MLGOLLRUSA-N	0	1	375.429	0.688	20	30		GCEDMN
C=C(CCC(=O)[O-])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	ZINC001573324983	962790986	/nfs/dbraw/zinc/79/09/86/962790986.db2.gz	AJIIFLCIOJTOJU-UHFFFAOYSA-N	0	1	380.489	0.104	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)CC2)o1	ZINC001605398202	973380195	/nfs/dbraw/zinc/38/01/95/973380195.db2.gz	DSDOKQVQAQNJED-JSGCOSHPSA-N	0	1	375.429	0.546	20	30		GCEDMN
C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1	ZINC001594514089	985821555	/nfs/dbraw/zinc/82/15/55/985821555.db2.gz	UHUIARSKVZGPOB-LBPRGKRZSA-N	0	1	376.388	0.321	20	30		GCEDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1	ZINC001594514089	985821565	/nfs/dbraw/zinc/82/15/65/985821565.db2.gz	UHUIARSKVZGPOB-LBPRGKRZSA-N	0	1	376.388	0.321	20	30		GCEDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001594514610	985846400	/nfs/dbraw/zinc/84/64/00/985846400.db2.gz	ZKRKUTSEZGYGLV-GDBMZVCRSA-N	0	1	384.436	0.919	20	30		GCEDMN
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)cc1	ZINC001589334379	986200441	/nfs/dbraw/zinc/20/04/41/986200441.db2.gz	CHWAORABQDHEFG-OLZOCXBDSA-N	0	1	394.453	0.852	20	30		GCEDMN
C[N@H+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H](C(=O)[O-])C1	ZINC001598616103	993883160	/nfs/dbraw/zinc/88/31/60/993883160.db2.gz	NQENCNYVTARDJD-HNNXBMFYSA-N	0	1	382.424	0.631	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778904	995961354	/nfs/dbraw/zinc/96/13/54/995961354.db2.gz	QEXIHFZOQWBJBR-UKRRQHHQSA-N	0	1	380.422	0.670	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778904	995961361	/nfs/dbraw/zinc/96/13/61/995961361.db2.gz	QEXIHFZOQWBJBR-UKRRQHHQSA-N	0	1	380.422	0.670	20	30		GCEDMN
C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@H+]1CCC(=O)[O-]	ZINC001594462848	999676770	/nfs/dbraw/zinc/67/67/70/999676770.db2.gz	PJQMWDLLBOSHKX-HOCLYGCPSA-N	0	1	384.436	0.919	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000409520870	530229610	/nfs/dbraw/zinc/22/96/10/530229610.db2.gz	TYWZKXIBZVZCBL-IYBDPMFKSA-N	0	1	376.523	0.572	20	30		GCEDMN
C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1	ZINC000427772509	530285338	/nfs/dbraw/zinc/28/53/38/530285338.db2.gz	VJFLAHQSDUCICW-UHFFFAOYSA-N	0	1	375.472	0.810	20	30		GCEDMN
CN1CCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000188204764	530305813	/nfs/dbraw/zinc/30/58/13/530305813.db2.gz	GYAMHHXKVYTQOD-UHFFFAOYSA-N	0	1	387.303	0.846	20	30		GCEDMN
C=CCOCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000644617815	530359432	/nfs/dbraw/zinc/35/94/32/530359432.db2.gz	BVCTVRZAAAIOTM-UHFFFAOYSA-N	0	1	376.500	0.503	20	30		GCEDMN
N#CC[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cnc[nH]2)C1	ZINC000580216851	530345394	/nfs/dbraw/zinc/34/53/94/530345394.db2.gz	JOOUFJPKXFVAJF-RYUDHWBXSA-N	0	1	375.476	0.543	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1)c1nnc[nH]1	ZINC000594628488	530433006	/nfs/dbraw/zinc/43/30/06/530433006.db2.gz	ZLHWTDWKPOARIE-VHSXEESVSA-N	0	1	384.443	0.035	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572319496	530511978	/nfs/dbraw/zinc/51/19/78/530511978.db2.gz	XGNCNXCBJPFVSC-KGLIPLIRSA-N	0	1	386.499	0.177	20	30		GCEDMN
CCN1C[C@H](C)N(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@H]1C	ZINC000328966046	530518766	/nfs/dbraw/zinc/51/87/66/530518766.db2.gz	MQKNBYQNYCKKEL-KBPBESRZSA-N	0	1	378.564	0.694	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CC[C@H](C#N)C1	ZINC000567693573	530546959	/nfs/dbraw/zinc/54/69/59/530546959.db2.gz	XGYBIHHZBSJLIT-UONOGXRCSA-N	0	1	385.511	0.992	20	30		GCEDMN
CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H]2CCN(CCOC)C2)CC1	ZINC000330827495	530525846	/nfs/dbraw/zinc/52/58/46/530525846.db2.gz	JAEHDJYMHUQTIP-CQSZACIVSA-N	0	1	376.523	0.367	20	30		GCEDMN
CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000563427920	530526244	/nfs/dbraw/zinc/52/62/44/530526244.db2.gz	DDCJVWZRNCJUHB-UHFFFAOYSA-N	0	1	389.503	0.494	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1	ZINC000572855793	530571874	/nfs/dbraw/zinc/57/18/74/530571874.db2.gz	MJSFZXAKOJWJFT-QWHCGFSZSA-N	0	1	388.515	0.448	20	30		GCEDMN
CCS(=O)(=O)N1CC(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000438904733	530572427	/nfs/dbraw/zinc/57/24/27/530572427.db2.gz	UVIZVLIRQWVVDY-UHFFFAOYSA-N	0	1	379.410	0.396	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CN(C)C	ZINC000575935447	530604063	/nfs/dbraw/zinc/60/40/63/530604063.db2.gz	UBHHVAXUQGAGAN-STQMWFEESA-N	0	1	388.515	0.448	20	30		GCEDMN
Cc1n[nH]c(CCNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)n1	ZINC000329107916	530605738	/nfs/dbraw/zinc/60/57/38/530605738.db2.gz	PISLAEVGNJHAIO-UHFFFAOYSA-N	0	1	385.471	0.743	20	30		GCEDMN
N#CCc1ccc(OC[C@@H](O)CNCc2ccc(S(N)(=O)=O)s2)cc1	ZINC000577215643	530617868	/nfs/dbraw/zinc/61/78/68/530617868.db2.gz	FCLBBJYDQYKABD-ZDUSSCGKSA-N	0	1	381.479	0.991	20	30		GCEDMN
CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000268183128	530680722	/nfs/dbraw/zinc/68/07/22/530680722.db2.gz	NYLLHKPSIRURCN-UHFFFAOYSA-N	0	1	381.426	0.786	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349486618	530652610	/nfs/dbraw/zinc/65/26/10/530652610.db2.gz	AWOFPSNAEWGKTH-NSHDSACASA-N	0	1	375.476	0.056	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C#N)c1C	ZINC000349507554	530664620	/nfs/dbraw/zinc/66/46/20/530664620.db2.gz	YNVQEKZAJUUBOB-UHFFFAOYSA-N	0	1	391.519	0.970	20	30		GCEDMN
N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCCCC2)CC1	ZINC000349535487	530678034	/nfs/dbraw/zinc/67/80/34/530678034.db2.gz	VZFIAQPKKITQFJ-UHFFFAOYSA-N	0	1	392.547	0.100	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349609770	530719838	/nfs/dbraw/zinc/71/98/38/530719838.db2.gz	ITCPILANODBENE-GFCCVEGCSA-N	0	1	389.503	0.446	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCN(C)C)cc1	ZINC000579732233	530746249	/nfs/dbraw/zinc/74/62/49/530746249.db2.gz	SFZPTVCFOYDFPU-CYBMUJFWSA-N	0	1	388.515	0.401	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)c(C)cn1	ZINC000579853161	530747764	/nfs/dbraw/zinc/74/77/64/530747764.db2.gz	FBVSGKXFNVEGIG-UHFFFAOYSA-N	0	1	386.499	0.475	20	30		GCEDMN
CS(=O)(=O)N1CCC(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000513848620	530823785	/nfs/dbraw/zinc/82/37/85/530823785.db2.gz	KIFUOHPYDBFJDW-UHFFFAOYSA-N	0	1	393.437	0.786	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)C1	ZINC000594637011	530875041	/nfs/dbraw/zinc/87/50/41/530875041.db2.gz	MTRPIGLKWNJNMZ-UHFFFAOYSA-N	0	1	389.503	0.578	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)NC1(C)CCC1	ZINC000594637534	530875122	/nfs/dbraw/zinc/87/51/22/530875122.db2.gz	LVQSUSFEZITGJV-UHFFFAOYSA-N	0	1	389.503	0.768	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)c1C	ZINC000349547183	530903028	/nfs/dbraw/zinc/90/30/28/530903028.db2.gz	CNETZKINFSXWTH-UHFFFAOYSA-N	0	1	377.492	0.628	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1c(C#N)cnn1CC	ZINC000349466270	530890458	/nfs/dbraw/zinc/89/04/58/530890458.db2.gz	ZFBOYSSSMAJYSJ-UHFFFAOYSA-N	0	1	387.487	0.191	20	30		GCEDMN
CC(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n[nH]1	ZINC000349471972	530891637	/nfs/dbraw/zinc/89/16/37/530891637.db2.gz	FFRQWEJDFMXZIT-UHFFFAOYSA-N	0	1	389.503	0.840	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CCCC1	ZINC000349580210	530895708	/nfs/dbraw/zinc/89/57/08/530895708.db2.gz	YVXHTOPWKIFGSW-UHFFFAOYSA-N	0	1	375.476	0.332	20	30		GCEDMN
COCCN(C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000292966635	530928665	/nfs/dbraw/zinc/92/86/65/530928665.db2.gz	AVOJZCYJAAHINP-UHFFFAOYSA-N	0	1	383.246	0.954	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000521859383	530970646	/nfs/dbraw/zinc/97/06/46/530970646.db2.gz	YEXRCSXNSBEYAF-UHFFFAOYSA-N	0	1	376.891	0.784	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)CCOCCOC)cc1	ZINC000269922963	531005398	/nfs/dbraw/zinc/00/53/98/531005398.db2.gz	AXGALGVUYJBISO-UHFFFAOYSA-N	0	1	392.499	0.898	20	30		GCEDMN
C=CCN(CC=C)[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(C)C	ZINC000276632525	531009045	/nfs/dbraw/zinc/00/90/45/531009045.db2.gz	WITOSPUFPYCEIJ-INIZCTEOSA-N	0	1	395.591	0.886	20	30		GCEDMN
C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C)s1	ZINC000414207591	531049683	/nfs/dbraw/zinc/04/96/83/531049683.db2.gz	HOORMOYOWYPKSG-VIFPVBQESA-N	0	1	375.476	0.780	20	30		GCEDMN
C#CCNC(=O)C[N@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736078608	600389469	/nfs/dbraw/zinc/38/94/69/600389469.db2.gz	CGWWOHXTPLKGBT-ALCCZGGFSA-N	0	1	386.408	0.954	20	30		GCEDMN
C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736078608	600389473	/nfs/dbraw/zinc/38/94/73/600389473.db2.gz	CGWWOHXTPLKGBT-ALCCZGGFSA-N	0	1	386.408	0.954	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@H]3CC(=O)[O-])CC2)o1	ZINC000832994461	601026060	/nfs/dbraw/zinc/02/60/60/601026060.db2.gz	LBAPUUFYKIOBJT-CYBMUJFWSA-N	0	1	393.469	0.395	20	30		GCEDMN
C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(CCC(=O)[O-])CC2)c1=O	ZINC000825706096	601799209	/nfs/dbraw/zinc/79/92/09/601799209.db2.gz	YEZYEAUGYJTPTG-UHFFFAOYSA-N	0	1	378.429	0.078	20	30		GCEDMN
Cc1c(C=NNS(C)(=O)=O)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1	ZINC000822027691	606989428	/nfs/dbraw/zinc/98/94/28/606989428.db2.gz	JBBKKMPHLHNMEA-UHFFFAOYSA-N	0	1	386.397	0.152	20	30		GCEDMN
N#Cc1ncn(CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1	ZINC000822845974	607205982	/nfs/dbraw/zinc/20/59/82/607205982.db2.gz	KWENKVWTXHSBRN-UHFFFAOYSA-N	0	1	392.427	0.064	20	30		GCEDMN
N#Cc1cccc(-c2c[nH]c(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)c1	ZINC000826386593	608190237	/nfs/dbraw/zinc/19/02/37/608190237.db2.gz	LGEQRKYVNAVMMX-UHFFFAOYSA-N	0	1	375.356	0.036	20	30		GCEDMN
N#Cc1ccc(OC2CCC(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)nc1	ZINC000826385854	608606052	/nfs/dbraw/zinc/60/60/52/608606052.db2.gz	FDOBUEOJZVMFAQ-UHFFFAOYSA-N	0	1	394.399	0.231	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1	ZINC000826382678	609174543	/nfs/dbraw/zinc/17/45/43/609174543.db2.gz	PUJCVUDXBAYXLP-LBPRGKRZSA-N	0	1	392.427	0.160	20	30		GCEDMN
C=CC[NH+]1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1	ZINC000823920182	609301742	/nfs/dbraw/zinc/30/17/42/609301742.db2.gz	ZQONRKRLZGPQFF-UHFFFAOYSA-N	0	1	388.480	0.396	20	30		GCEDMN
CN(C)CC#CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000913523868	639580624	/nfs/dbraw/zinc/58/06/24/639580624.db2.gz	PSPKJFVYCRMAOB-UHFFFAOYSA-N	0	1	378.479	0.593	20	30		GCEDMN
CN(C)CC#CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1	ZINC000913515278	639581366	/nfs/dbraw/zinc/58/13/66/639581366.db2.gz	QENBGDZAIPDGFQ-UHFFFAOYSA-N	0	1	388.287	0.409	20	30		GCEDMN
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#CCN(C)C	ZINC000913515437	639581644	/nfs/dbraw/zinc/58/16/44/639581644.db2.gz	XHFMQGUUZIRAKX-INIZCTEOSA-N	0	1	383.539	0.768	20	30		GCEDMN
Cc1c(C(=O)NCC#CCN(C)C)cc(Br)cc1S(N)(=O)=O	ZINC000913518962	639581679	/nfs/dbraw/zinc/58/16/79/639581679.db2.gz	ICTGOAJOMMYNHS-UHFFFAOYSA-N	0	1	388.287	0.700	20	30		GCEDMN
CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349498641	639603524	/nfs/dbraw/zinc/60/35/24/639603524.db2.gz	RHELUCMVRUJHEG-GFCCVEGCSA-N	0	1	389.503	0.446	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2sc(Cl)nc2Cl)c(=O)n(C)c1=O	ZINC000755804544	640475689	/nfs/dbraw/zinc/47/56/89/640475689.db2.gz	NROTZHVHIIIMEH-UHFFFAOYSA-N	0	1	398.253	0.160	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC(C(F)(F)F)CC2)c(=O)n(C)c1=O	ZINC000766024142	640687915	/nfs/dbraw/zinc/68/79/15/640687915.db2.gz	AJGFRPIZDRKZIU-UHFFFAOYSA-N	0	1	382.364	0.471	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCc3cc(Cl)ccc32)c(=O)n(C)c1=O	ZINC000771897437	640835245	/nfs/dbraw/zinc/83/52/45/640835245.db2.gz	MYHWSFNCOWWZJE-UHFFFAOYSA-N	0	1	382.829	0.366	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1Cl	ZINC000771888461	640835370	/nfs/dbraw/zinc/83/53/70/640835370.db2.gz	CLLBVBLMPRKFSS-UHFFFAOYSA-N	0	1	388.808	0.579	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1n[nH]cc1Br)c1ccn[nH]1	ZINC000772225029	640840442	/nfs/dbraw/zinc/84/04/42/640840442.db2.gz	SXYZWMVPCQTARH-UHFFFAOYSA-N	0	1	399.205	0.496	20	30		GCEDMN
CS(=O)(=O)NCC(=NNc1ccccc1S(N)(=O)=O)c1ccccc1	ZINC000773122263	640856690	/nfs/dbraw/zinc/85/66/90/640856690.db2.gz	HTHYVWQFFYHOBR-UHFFFAOYSA-N	0	1	382.467	0.699	20	30		GCEDMN
COc1cc(C#N)ccc1S(=O)(=O)N1CC(CNC(=O)C(F)(F)F)C1	ZINC000867902942	641390786	/nfs/dbraw/zinc/39/07/86/641390786.db2.gz	WIFUNSDKOMIZDK-UHFFFAOYSA-N	0	1	377.344	0.866	20	30		GCEDMN
CN(C)c1c(C=[NH+][N-]c2ccc(Br)nc2)c(=O)n(C)c(=O)n1C	ZINC000807971462	641676703	/nfs/dbraw/zinc/67/67/03/641676703.db2.gz	WLXDBWRYJWGSQF-UHFFFAOYSA-N	0	1	381.234	0.754	20	30		GCEDMN
C=CCN(CCOC)C(=O)C1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000935620263	642038964	/nfs/dbraw/zinc/03/89/64/642038964.db2.gz	LIOHQQNYQYFCTI-CYBMUJFWSA-N	0	1	376.475	0.682	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc2ncc(I)n2c1	ZINC000834480505	642212817	/nfs/dbraw/zinc/21/28/17/642212817.db2.gz	RCIZLQGZJIDKRG-NXEZZACHSA-N	0	1	381.177	0.780	20	30		GCEDMN
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834500120	642213389	/nfs/dbraw/zinc/21/33/89/642213389.db2.gz	QJJOSDGTFMLKEU-QMTHXVAHSA-N	0	1	386.861	0.106	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000834506181	642213942	/nfs/dbraw/zinc/21/39/42/642213942.db2.gz	QGWHUDGZSISLIY-OCCSQVGLSA-N	0	1	382.873	0.966	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1	ZINC000841229156	642292461	/nfs/dbraw/zinc/29/24/61/642292461.db2.gz	IXVVZYZLKWTFOX-ZWNOBZJWSA-N	0	1	395.261	0.914	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000843460818	642370418	/nfs/dbraw/zinc/37/04/18/642370418.db2.gz	QRCRABBTHSNTSN-WDEREUQCSA-N	0	1	377.451	0.139	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848959440	642576985	/nfs/dbraw/zinc/57/69/85/642576985.db2.gz	IYGNHWDIHKLAIG-SNVBAGLBSA-N	0	1	395.894	0.826	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C(C)C)[nH]n1	ZINC000848961292	642584943	/nfs/dbraw/zinc/58/49/43/642584943.db2.gz	TUQSLHDDWSWYDG-LBPRGKRZSA-N	0	1	376.504	0.948	20	30		GCEDMN
C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)ncc1C)C(C)C	ZINC000848963112	642592117	/nfs/dbraw/zinc/59/21/17/642592117.db2.gz	JNPVVIDYOVDIGG-HNNXBMFYSA-N	0	1	387.527	0.829	20	30		GCEDMN
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1	ZINC000662962195	1192170517	/nfs/dbraw/zinc/17/05/17/1192170517.db2.gz	ZZEMUSFZOSZNGR-IRXDYDNUSA-N	0	1	376.501	0.472	20	30		GCEDMN
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1	ZINC000662962194	1192170678	/nfs/dbraw/zinc/17/06/78/1192170678.db2.gz	ZZEMUSFZOSZNGR-IAGOWNOFSA-N	0	1	376.501	0.472	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)c1cc[nH]n1	ZINC000278849303	1192187037	/nfs/dbraw/zinc/18/70/37/1192187037.db2.gz	WLIIGRDHTBFTOX-VLICBGDRSA-N	0	1	377.405	0.812	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001481449775	1192217937	/nfs/dbraw/zinc/21/79/37/1192217937.db2.gz	MOPMLIGMLKKRBN-JJXSEGSLSA-N	0	1	378.473	0.394	20	30		GCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000662167080	1192251054	/nfs/dbraw/zinc/25/10/54/1192251054.db2.gz	RMFVZBXJBSXBOE-UONOGXRCSA-N	0	1	383.470	0.171	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](Cn2ccnn2)C1)c1cc[nH]n1	ZINC000278887389	1192330538	/nfs/dbraw/zinc/33/05/38/1192330538.db2.gz	ZBCXJANHKOIYOJ-IQQDNESTSA-N	0	1	389.416	0.224	20	30		GCEDMN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000278928326	1192374303	/nfs/dbraw/zinc/37/43/03/1192374303.db2.gz	SHUPNTVJWQCRRE-IRXDYDNUSA-N	0	1	379.482	0.798	20	30		GCEDMN
N#Cc1cn(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(=O)[n-]c1=O	ZINC001648937322	1192376039	/nfs/dbraw/zinc/37/60/39/1192376039.db2.gz	CUTKQDMSKXPGNH-KRWDZBQOSA-N	0	1	381.436	0.991	20	30		GCEDMN
CCN(CC)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccco1	ZINC000585775773	1192410792	/nfs/dbraw/zinc/41/07/92/1192410792.db2.gz	PHUOAXLGQAIWQJ-MRXNPFEDSA-N	0	1	375.473	0.883	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)c1cc[nH]n1	ZINC000279815206	1192607782	/nfs/dbraw/zinc/60/77/82/1192607782.db2.gz	DHUDGVKHMNQXQS-INEFXRIRSA-N	0	1	380.401	0.100	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)CN1	ZINC000418860065	1192670883	/nfs/dbraw/zinc/67/08/83/1192670883.db2.gz	ZGASPUUNVCYSCX-FMKPAKJESA-N	0	1	387.459	0.991	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)CN1	ZINC000418914645	1192687554	/nfs/dbraw/zinc/68/75/54/1192687554.db2.gz	UDDQWYYISDPGPB-CPUCHLNUSA-N	0	1	383.452	0.379	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1	ZINC000418916583	1192688915	/nfs/dbraw/zinc/68/89/15/1192688915.db2.gz	WYSMSHXVRSXLRI-MRXNPFEDSA-N	0	1	383.452	0.380	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)c1cc[nH]n1	ZINC000279929339	1192838737	/nfs/dbraw/zinc/83/87/37/1192838737.db2.gz	BZMAVSUBQYRDEP-VZGUEMQISA-N	0	1	380.401	0.100	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](O)C1	ZINC000970040666	1184496782	/nfs/dbraw/zinc/49/67/82/1184496782.db2.gz	KUHHRASXSLCHPZ-VZEFYGNVSA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000430402615	1184660265	/nfs/dbraw/zinc/66/02/65/1184660265.db2.gz	MTQNWXABTGVCFM-BQFCYCMXSA-N	0	1	379.501	0.796	20	30		GCEDMN
CNS(=O)(=O)CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000275732379	1184989403	/nfs/dbraw/zinc/98/94/03/1184989403.db2.gz	APLMIYISWBWFMB-UHFFFAOYSA-N	0	1	379.486	0.325	20	30		GCEDMN
CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1	ZINC000580094590	1185058772	/nfs/dbraw/zinc/05/87/72/1185058772.db2.gz	PIQUTDHVGCMNNY-UHFFFAOYSA-N	0	1	398.470	0.206	20	30		GCEDMN
N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CNC(CO)CO)CCCC2	ZINC000580208477	1185117644	/nfs/dbraw/zinc/11/76/44/1185117644.db2.gz	DGMPKULLRISYCL-AWEZNQCLSA-N	0	1	376.457	0.299	20	30		GCEDMN
Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)ccc1C#N	ZINC000261987500	1185299374	/nfs/dbraw/zinc/29/93/74/1185299374.db2.gz	DMXVAZXMNRFUCR-INIZCTEOSA-N	0	1	376.482	0.699	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3[C@@H]2C(=O)[O-])c1	ZINC000580789044	1185362177	/nfs/dbraw/zinc/36/21/77/1185362177.db2.gz	YCUSGUMQDFOEHA-JKSUJKDBSA-N	0	1	393.465	0.524	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000328866027	1185990105	/nfs/dbraw/zinc/99/01/05/1185990105.db2.gz	NPBIDKMMLXHXBA-IAGOWNOFSA-N	0	1	382.505	0.580	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)NCCN2C(=O)NC3(CCCC3)C2=O)c(F)c1	ZINC000548452785	1186142595	/nfs/dbraw/zinc/14/25/95/1186142595.db2.gz	DABKIQKPGYRZGR-UHFFFAOYSA-N	0	1	398.391	0.979	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2c(C)n[nH]c2C)C1	ZINC001691319157	1186165358	/nfs/dbraw/zinc/16/53/58/1186165358.db2.gz	UJMMJOITHWZFPE-MPESAESLSA-N	0	1	375.473	0.993	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000276953669	1186172446	/nfs/dbraw/zinc/17/24/46/1186172446.db2.gz	WHCVTMOXNINIQP-TXPKVOOTSA-N	0	1	399.495	0.756	20	30		GCEDMN
CO[C@@H]1CCOC[C@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000934039827	1186224547	/nfs/dbraw/zinc/22/45/47/1186224547.db2.gz	WLTKHWWVBYRHLD-OWCLPIDISA-N	0	1	378.498	0.850	20	30		GCEDMN
CN(C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1)S(C)(=O)=O	ZINC000610968409	1186267683	/nfs/dbraw/zinc/26/76/83/1186267683.db2.gz	NRQMBJBXJIDHSH-QGZVFWFLSA-N	0	1	381.498	0.848	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](c2nncn2C)C1)c1cc[nH]n1	ZINC000277727668	1186580186	/nfs/dbraw/zinc/58/01/86/1186580186.db2.gz	BDDQCJXSUGAVSU-SPZKXHQHSA-N	0	1	389.416	0.228	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)CC1	ZINC000728501113	1186609838	/nfs/dbraw/zinc/60/98/38/1186609838.db2.gz	GDXDGPXPTACEEX-UHFFFAOYSA-N	0	1	396.538	0.630	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(CC(=O)NC)CC1)c1cc[nH]n1	ZINC000277894410	1186668307	/nfs/dbraw/zinc/66/83/07/1186668307.db2.gz	DPMILONMISUMFR-LTGZKZEYSA-N	0	1	379.417	0.068	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1N=NC(=S)N1C(C)C)c1ccn[nH]1	ZINC000277906547	1186680731	/nfs/dbraw/zinc/68/07/31/1186680731.db2.gz	FOYGZOMRAMIXJM-FYJGNVAPSA-N	0	1	395.445	0.471	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cn2ccc(C)cc2n1)c1ccn[nH]1	ZINC000277927504	1186707647	/nfs/dbraw/zinc/70/76/47/1186707647.db2.gz	FPLQPTMOQIXBGU-HAVVHWLPSA-N	0	1	384.396	0.966	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(S(C)(=O)=O)nc1)c1ccn[nH]1	ZINC000277951955	1186719306	/nfs/dbraw/zinc/71/93/06/1186719306.db2.gz	OSEQMSRKYFOOPR-XSFVSMFZSA-N	0	1	395.397	0.131	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](CNC(C)=O)C1)c1cc[nH]n1	ZINC000278140361	1186799351	/nfs/dbraw/zinc/79/93/51/1186799351.db2.gz	NKWGGFHRVAZPJK-JEEMYIIMSA-N	0	1	379.417	0.068	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1	ZINC000728570350	1186876254	/nfs/dbraw/zinc/87/62/54/1186876254.db2.gz	ABZYOEVLGJECGO-SFHVURJKSA-N	0	1	383.496	0.381	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1)c1cc[nH]n1	ZINC000278328696	1186890936	/nfs/dbraw/zinc/89/09/36/1186890936.db2.gz	LTKKPMAKBGNQQQ-PKOXEUABSA-N	0	1	380.401	0.351	20	30		GCEDMN
CCNC(=O)C1(CNC(=O)C(=NOCC(=O)OCC)c2ccn[nH]2)CCC1	ZINC000278394863	1186928777	/nfs/dbraw/zinc/92/87/77/1186928777.db2.gz	VQUXEISVCVNPDZ-HYARGMPZSA-N	0	1	379.417	0.116	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccn[nH]1	ZINC000278410166	1186935019	/nfs/dbraw/zinc/93/50/19/1186935019.db2.gz	YOROZWKANPCADX-MAMUZICDSA-N	0	1	397.432	0.723	20	30		GCEDMN
C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CN(C)CCN3C)ccc2N1S(C)(=O)=O	ZINC000329486074	1186949390	/nfs/dbraw/zinc/94/93/90/1186949390.db2.gz	QYQGQZWDGPGAET-CZUORRHYSA-N	0	1	380.514	0.948	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CC(F)(F)F)C(=O)OC)c1ccn[nH]1	ZINC000278459183	1186950955	/nfs/dbraw/zinc/95/09/55/1186950955.db2.gz	HBXWBPLZHJOZCV-DYBYWHPZSA-N	0	1	394.306	0.304	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccn[nH]1	ZINC000278495017	1186960381	/nfs/dbraw/zinc/96/03/81/1186960381.db2.gz	KEGHJNSFEYCNFD-VDQQFONMSA-N	0	1	396.469	0.864	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@H]3NC(=O)C3(C)C)CC2)CC1	ZINC000583972973	1186971386	/nfs/dbraw/zinc/97/13/86/1186971386.db2.gz	RWPLKASALFUILW-IEBWSBKVSA-N	0	1	389.544	0.915	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCOCC2(CCOCC2)C1)c1cc[nH]n1	ZINC000278651077	1187007223	/nfs/dbraw/zinc/00/72/23/1187007223.db2.gz	NMWHHOUWHFSCET-LTGZKZEYSA-N	0	1	394.428	0.349	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1O	ZINC001023915914	1187168639	/nfs/dbraw/zinc/16/86/39/1187168639.db2.gz	JHKIUUJRLLLVNR-HWMZRRJGSA-N	0	1	390.484	0.747	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@H]1O	ZINC001023942997	1187181237	/nfs/dbraw/zinc/18/12/37/1187181237.db2.gz	YOEMPYPVGMWAHH-DXEWXGHRSA-N	0	1	376.457	0.816	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1O	ZINC001023942320	1187182682	/nfs/dbraw/zinc/18/26/82/1187182682.db2.gz	UQFCMMCEVLMVLJ-LHHMISFZSA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@H]1O	ZINC001023958116	1187192706	/nfs/dbraw/zinc/19/27/06/1187192706.db2.gz	IHQVPQAJTUMDIP-DZUCGIPZSA-N	0	1	390.484	0.891	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1	ZINC001023985516	1187214578	/nfs/dbraw/zinc/21/45/78/1187214578.db2.gz	KLZVISPRZMLNCI-QQXMDYFESA-N	0	1	385.508	0.622	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]nc3ccccc32)C1	ZINC001024130680	1187259868	/nfs/dbraw/zinc/25/98/68/1187259868.db2.gz	KYMDUFGLGPMTLN-PILAGYSTSA-N	0	1	384.436	0.384	20	30		GCEDMN
COC(=O)[C@H]1CN(C)CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000413894166	1187568037	/nfs/dbraw/zinc/56/80/37/1187568037.db2.gz	CEKYIXPZRQBBGB-ZWKOTPCHSA-N	0	1	398.463	0.612	20	30		GCEDMN
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1	ZINC000472475073	1187624278	/nfs/dbraw/zinc/62/42/78/1187624278.db2.gz	DSEHSCFCGOHDAM-IBGZPJMESA-N	0	1	382.464	0.926	20	30		GCEDMN
C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)C(C)C(=O)NC(N)=O	ZINC000414217213	1187767920	/nfs/dbraw/zinc/76/79/20/1187767920.db2.gz	BXROWILADZOZRZ-NSHDSACASA-N	0	1	377.426	0.797	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3nc[nH]c32)C1	ZINC001025271994	1187927231	/nfs/dbraw/zinc/92/72/31/1187927231.db2.gz	KUHHRASXSLCHPZ-YYQUZTFQSA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1	ZINC001025344301	1187956955	/nfs/dbraw/zinc/95/69/55/1187956955.db2.gz	RWIBDZDGBQNILS-HZMVEIRTSA-N	0	1	391.468	0.624	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1	ZINC001025344465	1187957205	/nfs/dbraw/zinc/95/72/05/1187957205.db2.gz	VLUBDKPVHWRNOT-FPCVCCKLSA-N	0	1	377.441	0.234	20	30		GCEDMN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000415321574	1188031242	/nfs/dbraw/zinc/03/12/42/1188031242.db2.gz	ATZXBOGQJUBMRT-ZDUSSCGKSA-N	0	1	387.415	0.306	20	30		GCEDMN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c(F)c1	ZINC000415323979	1188033743	/nfs/dbraw/zinc/03/37/43/1188033743.db2.gz	DRJANOSDYQDLIG-AWEZNQCLSA-N	0	1	387.415	0.306	20	30		GCEDMN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1F	ZINC000415323521	1188037958	/nfs/dbraw/zinc/03/79/58/1188037958.db2.gz	DDWFNGJVTYLDHO-CQSZACIVSA-N	0	1	387.415	0.306	20	30		GCEDMN
N#Cc1cnn(-c2ccc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2)c1N	ZINC000377567364	1188076246	/nfs/dbraw/zinc/07/62/46/1188076246.db2.gz	OEPHSWUGWXNTFL-MSOLQXFVSA-N	0	1	380.452	0.997	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)CN1	ZINC000415577717	1188109912	/nfs/dbraw/zinc/10/99/12/1188109912.db2.gz	ZCIBSPTXSHSPCS-RYUDHWBXSA-N	0	1	386.843	1.545	20	30		GCEDMN
C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000415577716	1188110186	/nfs/dbraw/zinc/11/01/86/1188110186.db2.gz	ZCIBSPTXSHSPCS-NWDGAFQWSA-N	0	1	386.843	1.545	20	30		GCEDMN
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CN1C1CC1	ZINC000377893742	1188165026	/nfs/dbraw/zinc/16/50/26/1188165026.db2.gz	IXZULEVNLPEJDO-CHWSQXEVSA-N	0	1	379.424	0.819	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)CCc1ccccc1)c1ccn[nH]1	ZINC000278836288	1189789577	/nfs/dbraw/zinc/78/95/77/1189789577.db2.gz	VOUFLXWPEJMOHP-SAZKUCFMSA-N	0	1	388.424	0.803	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)OCCCN2CCO[C@@H](C)C2)c1	ZINC000893390676	1189871786	/nfs/dbraw/zinc/87/17/86/1189871786.db2.gz	TTYOUPMCVFWKDC-HNNXBMFYSA-N	0	1	380.466	0.866	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1	ZINC000982866106	1193980623	/nfs/dbraw/zinc/98/06/23/1193980623.db2.gz	MOMLJSMUNOPQGM-AZQPHWPRSA-N	0	1	385.508	0.720	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H](C)N1	ZINC000419614298	1194073450	/nfs/dbraw/zinc/07/34/50/1194073450.db2.gz	MQMRBRVGEUJYDO-QBBMROGASA-N	0	1	385.468	0.968	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H](C)N1	ZINC000419614297	1194073592	/nfs/dbraw/zinc/07/35/92/1194073592.db2.gz	MQMRBRVGEUJYDO-JCAIJIATSA-N	0	1	385.468	0.968	20	30		GCEDMN
COC(=O)CCN1CC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1=O	ZINC000501183743	1194073909	/nfs/dbraw/zinc/07/39/09/1194073909.db2.gz	FHUIOXLFGWOZMM-LBPRGKRZSA-N	0	1	387.364	0.279	20	30		GCEDMN
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)N(C)CCC#N	ZINC000420977327	1194280556	/nfs/dbraw/zinc/28/05/56/1194280556.db2.gz	USHOPIXWVYXLSQ-UHFFFAOYSA-N	0	1	397.457	0.567	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)NCCN2CCCC2)c(C#N)cn1CC	ZINC000421207612	1194305154	/nfs/dbraw/zinc/30/51/54/1194305154.db2.gz	CJGFAHXMBCEFQE-UHFFFAOYSA-N	0	1	375.429	0.707	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)c(C#N)cn1CC	ZINC000421200902	1194308857	/nfs/dbraw/zinc/30/88/57/1194308857.db2.gz	OFUZIUMUXASUNS-OAHLLOKOSA-N	0	1	399.451	0.968	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCC(C)(C)CC#N)CC1	ZINC000422405874	1194639105	/nfs/dbraw/zinc/63/91/05/1194639105.db2.gz	YUVNGVQTPCMLCF-UHFFFAOYSA-N	0	1	393.532	0.785	20	30		GCEDMN
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000423129017	1194729857	/nfs/dbraw/zinc/72/98/57/1194729857.db2.gz	WJRZKAXDJWQYLY-IBGZPJMESA-N	0	1	398.507	0.872	20	30		GCEDMN
N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N2CCNCC2)CC1	ZINC000423208125	1194737075	/nfs/dbraw/zinc/73/70/75/1194737075.db2.gz	DBHOTXFHSAMXSP-UHFFFAOYSA-N	0	1	378.436	0.187	20	30		GCEDMN
C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000423340298	1194750211	/nfs/dbraw/zinc/75/02/11/1194750211.db2.gz	JHLZNFXBTKSESI-QGZVFWFLSA-N	0	1	378.517	0.862	20	30		GCEDMN
C[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000423604634	1194772379	/nfs/dbraw/zinc/77/23/79/1194772379.db2.gz	INGGCADFXDKOAG-ZDUSSCGKSA-N	0	1	398.423	0.275	20	30		GCEDMN
C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000423604628	1194772512	/nfs/dbraw/zinc/77/25/12/1194772512.db2.gz	INGGCADFXDKOAG-CYBMUJFWSA-N	0	1	398.423	0.275	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)[C@@H](C)CN1	ZINC000423655435	1194780057	/nfs/dbraw/zinc/78/00/57/1194780057.db2.gz	SHWQCUWDMKHPOS-LPWZSFRNSA-N	0	1	381.436	0.067	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)N[C@@H](C)C3)CC2)c1C#N	ZINC000423677877	1194784818	/nfs/dbraw/zinc/78/48/18/1194784818.db2.gz	KGLNRIODQOVASC-TXEJJXNPSA-N	0	1	376.486	0.181	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000423722750	1194789089	/nfs/dbraw/zinc/78/90/89/1194789089.db2.gz	PXPXGUZRPWFVAX-VTJXTGGHSA-N	0	1	395.463	0.459	20	30		GCEDMN
C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)nn1	ZINC000424922990	1194832825	/nfs/dbraw/zinc/83/28/25/1194832825.db2.gz	IJFUBVGVTHRPIP-UHFFFAOYSA-N	0	1	391.453	0.884	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)cc1	ZINC000425297002	1194897957	/nfs/dbraw/zinc/89/79/57/1194897957.db2.gz	UILOOWMLQZHIEX-UHFFFAOYSA-N	0	1	391.409	0.331	20	30		GCEDMN
C=CCSc1ccccc1NC(=O)CN1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1	ZINC000435627347	1194950474	/nfs/dbraw/zinc/95/04/74/1194950474.db2.gz	MQXKKHWOYBMIHR-HUUCEWRRSA-N	0	1	379.482	0.965	20	30		GCEDMN
C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)C(=O)OC	ZINC000436529176	1195013816	/nfs/dbraw/zinc/01/38/16/1195013816.db2.gz	KBPMLYSUBMLIID-CYBMUJFWSA-N	0	1	386.426	0.117	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1CCC[C@]2(CCCN(CC(=O)N(C)C)C2)C1	ZINC001270179257	1195076965	/nfs/dbraw/zinc/07/69/65/1195076965.db2.gz	JQBIUOZFFDVRGS-YJBOKZPZSA-N	0	1	384.546	0.214	20	30		GCEDMN
Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1S(=O)(=O)NCC#N	ZINC000518299753	1195276202	/nfs/dbraw/zinc/27/62/02/1195276202.db2.gz	BUAPIIPZXZYGOK-UHFFFAOYSA-N	0	1	375.454	0.515	20	30		GCEDMN
CN(CCC#N)S(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1	ZINC000506941426	1195481504	/nfs/dbraw/zinc/48/15/04/1195481504.db2.gz	VFFUHKRAECSTCD-UHFFFAOYSA-N	0	1	379.530	0.874	20	30		GCEDMN
Cc1nsc(N2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000519849431	1195577446	/nfs/dbraw/zinc/57/74/46/1195577446.db2.gz	LDFYIEGITUHECB-LZWOXQAQSA-N	0	1	379.530	0.915	20	30		GCEDMN
CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)N1CCN(C)CC1	ZINC000550382402	1195650596	/nfs/dbraw/zinc/65/05/96/1195650596.db2.gz	UENJTKKKDLXLSH-LJQANCHMSA-N	0	1	385.512	0.905	20	30		GCEDMN
CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)N1CCN(C)CC1	ZINC000550382401	1195650686	/nfs/dbraw/zinc/65/06/86/1195650686.db2.gz	UENJTKKKDLXLSH-IBGZPJMESA-N	0	1	385.512	0.905	20	30		GCEDMN
CS(=O)(=O)N1CC[C@H](CNC(=O)NC2CCN(Cc3ccccn3)CC2)C1	ZINC000328649611	1195657241	/nfs/dbraw/zinc/65/72/41/1195657241.db2.gz	ACSMBNQSDMPTOP-OAHLLOKOSA-N	0	1	395.529	0.831	20	30		GCEDMN
CCS(=O)(=O)N1CC(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)C1	ZINC000328664498	1195658616	/nfs/dbraw/zinc/65/86/16/1195658616.db2.gz	BOZOZHNOYICYHX-OAHLLOKOSA-N	0	1	388.534	0.226	20	30		GCEDMN
CS(=O)(=O)c1cccnc1CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000328686694	1195660820	/nfs/dbraw/zinc/66/08/20/1195660820.db2.gz	YMWTXAYOYUIZCS-HNNXBMFYSA-N	0	1	396.513	0.943	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC(CN3CCOCC3)CC2)C1	ZINC000328804664	1195665367	/nfs/dbraw/zinc/66/53/67/1195665367.db2.gz	KKEKVDOXVXZFCQ-INIZCTEOSA-N	0	1	388.534	0.369	20	30		GCEDMN
Cc1cnn(C[C@@H]2CN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)CCO2)c1	ZINC000328841147	1195670318	/nfs/dbraw/zinc/67/03/18/1195670318.db2.gz	ZIZSFQMPHKOMNI-GJZGRUSLSA-N	0	1	385.490	0.088	20	30		GCEDMN
C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1	ZINC000328858318	1195671456	/nfs/dbraw/zinc/67/14/56/1195671456.db2.gz	YHPNWLQMSBLEPN-CZUORRHYSA-N	0	1	381.502	0.884	20	30		GCEDMN
O=C(C1CCC1)N1CC[NH+](CC/N=C(/[O-])c2cnc3n(c2=O)CCS3)CC1	ZINC000328905180	1195678830	/nfs/dbraw/zinc/67/88/30/1195678830.db2.gz	AOXKOQCFQQXDTR-UHFFFAOYSA-N	0	1	391.497	0.598	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1	ZINC000328912369	1195679561	/nfs/dbraw/zinc/67/95/61/1195679561.db2.gz	HFINNKRMHLTNFN-INIZCTEOSA-N	0	1	395.529	0.428	20	30		GCEDMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000328921889	1195680164	/nfs/dbraw/zinc/68/01/64/1195680164.db2.gz	BVFOKBVHSCFHID-HZPDHXFCSA-N	0	1	382.486	0.635	20	30		GCEDMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H]2CCN(C)C[C@H]21	ZINC000328921889	1195680166	/nfs/dbraw/zinc/68/01/66/1195680166.db2.gz	BVFOKBVHSCFHID-HZPDHXFCSA-N	0	1	382.486	0.635	20	30		GCEDMN
CNS(=O)(=O)c1cccc(NC(=O)N2CCN(CC(C)(C)O)CC2)c1C	ZINC000330660675	1195699548	/nfs/dbraw/zinc/69/95/48/1195699548.db2.gz	QYDQCMWGWGEEIY-UHFFFAOYSA-N	0	1	384.502	0.837	20	30		GCEDMN
CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCN(CC(C)(C)O)CC2)c1	ZINC000330630714	1195700593	/nfs/dbraw/zinc/70/05/93/1195700593.db2.gz	ORHILQRZIDCAPC-UHFFFAOYSA-N	0	1	384.502	0.871	20	30		GCEDMN
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCN2C)cc1	ZINC000330725487	1195704524	/nfs/dbraw/zinc/70/45/24/1195704524.db2.gz	DUXJDMZOOTVEPA-UKRRQHHQSA-N	0	1	379.486	0.944	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCO[C@H](C(N)=O)C2)CC1	ZINC000331200429	1195723465	/nfs/dbraw/zinc/72/34/65/1195723465.db2.gz	WOBLCLPGDSIYOW-AWEZNQCLSA-N	0	1	383.493	0.763	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1	ZINC000331217554	1195723927	/nfs/dbraw/zinc/72/39/27/1195723927.db2.gz	GKSGNRDOEZNATP-HNNXBMFYSA-N	0	1	384.521	0.705	20	30		GCEDMN
CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC1(O)CCOCC1	ZINC000189768547	1195753259	/nfs/dbraw/zinc/75/32/59/1195753259.db2.gz	LNSYNTOODDWQTE-INIZCTEOSA-N	0	1	392.525	0.930	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]21	ZINC001075805250	1195856035	/nfs/dbraw/zinc/85/60/35/1195856035.db2.gz	SXQDUCXFQUZOKN-HZMVEIRTSA-N	0	1	375.469	0.649	20	30		GCEDMN
CNS(=O)(=O)c1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000521227373	1195978518	/nfs/dbraw/zinc/97/85/18/1195978518.db2.gz	HIUGFTPYSCQRHG-MRXNPFEDSA-N	0	1	375.450	0.996	20	30		GCEDMN
N#Cc1cnn(-c2ccc(C(=O)NCCCN3CCC[C@H]3C(N)=O)cc2)c1N	ZINC000521676579	1196009241	/nfs/dbraw/zinc/00/92/41/1196009241.db2.gz	BXKNKJDQDAFFBA-INIZCTEOSA-N	0	1	381.440	0.396	20	30		GCEDMN
C#CCN1CCC(Nc2nc(NC3CC[NH+](CC#C)CC3)cc(C(N)=O)n2)CC1	ZINC000895811818	1196113531	/nfs/dbraw/zinc/11/35/31/1196113531.db2.gz	XDQFHICIIHHJOW-UHFFFAOYSA-N	0	1	395.511	0.595	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)Cn3c4ccccc4n(C)c3=O)CC2)C1=O	ZINC000329052455	1196159972	/nfs/dbraw/zinc/15/99/72/1196159972.db2.gz	ACEFPCCAGXPUOR-KRWDZBQOSA-N	0	1	385.468	0.992	20	30		GCEDMN
CN1CCN(CCNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1	ZINC000329089259	1196162665	/nfs/dbraw/zinc/16/26/65/1196162665.db2.gz	IKQZYOHLIHQPAX-UHFFFAOYSA-N	0	1	394.541	0.469	20	30		GCEDMN
Cc1nc2n(n1)C[C@@H](NC([O-])=[NH+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)CC2	ZINC000329130920	1196166630	/nfs/dbraw/zinc/16/66/30/1196166630.db2.gz	OQJPQYBDYLOTQH-OGHNNQOOSA-N	0	1	386.460	0.501	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c1	ZINC000896575929	1196169293	/nfs/dbraw/zinc/16/92/93/1196169293.db2.gz	DIEIEBWLKSRMBS-RHSMWYFYSA-N	0	1	380.514	0.515	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@](O)(C(=O)N3CCCC3)C1)CC2	ZINC000329151088	1196169621	/nfs/dbraw/zinc/16/96/21/1196169621.db2.gz	ZXFNOEILTFUBHK-RDTXWAMCSA-N	0	1	376.461	0.265	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)CC2)C1=O	ZINC000329195325	1196174370	/nfs/dbraw/zinc/17/43/70/1196174370.db2.gz	UDPXGPJMCSVPPM-OAHLLOKOSA-N	0	1	390.488	0.893	20	30		GCEDMN
CCN1CCN([C@@H]2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)CC1	ZINC000329192655	1196174572	/nfs/dbraw/zinc/17/45/72/1196174572.db2.gz	SZCWHVUKRLABKO-MRXNPFEDSA-N	0	1	395.529	0.460	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)[C@@H]3COCCN3CC(F)(F)F)CC2)C1=O	ZINC000329197897	1196175100	/nfs/dbraw/zinc/17/51/00/1196175100.db2.gz	VLWJSNAGOQPUMI-KBPBESRZSA-N	0	1	392.422	0.901	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)[C@H]3COCCN3CC(F)(F)F)CC2)C1=O	ZINC000329197908	1196175189	/nfs/dbraw/zinc/17/51/89/1196175189.db2.gz	VLWJSNAGOQPUMI-UONOGXRCSA-N	0	1	392.422	0.901	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)c3cccnc3N3CCOCC3)CC2)C1=O	ZINC000329203740	1196175794	/nfs/dbraw/zinc/17/57/94/1196175794.db2.gz	XISFRCIHSQRFIO-QGZVFWFLSA-N	0	1	387.484	0.918	20	30		GCEDMN
Cc1cnn(C[C@@H]2CN(C(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)CCO2)c1	ZINC000329258354	1196180436	/nfs/dbraw/zinc/18/04/36/1196180436.db2.gz	DJKNKRGFWZYWKU-JYJNAYRXSA-N	0	1	379.461	0.442	20	30		GCEDMN
CCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)CC2	ZINC000329305875	1196184352	/nfs/dbraw/zinc/18/43/52/1196184352.db2.gz	YMIFFLSLTLUTMQ-JHJVBQTASA-N	0	1	384.506	0.519	20	30		GCEDMN
CN1CCN(c2cc(CNC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)ccn2)CC1	ZINC000329332510	1196186152	/nfs/dbraw/zinc/18/61/52/1196186152.db2.gz	JSSNXGSAZOVJKE-MRXNPFEDSA-N	0	1	386.500	0.848	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@@H]1CCN(S(C)(=O)=O)C1)CC2	ZINC000329338183	1196186722	/nfs/dbraw/zinc/18/67/22/1196186722.db2.gz	MWLOSQKTKFDRHB-QWHCGFSZSA-N	0	1	384.506	0.501	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)CC2	ZINC000329338183	1196186723	/nfs/dbraw/zinc/18/67/23/1196186723.db2.gz	MWLOSQKTKFDRHB-QWHCGFSZSA-N	0	1	384.506	0.501	20	30		GCEDMN
CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)cn2)CC1	ZINC000329356598	1196188150	/nfs/dbraw/zinc/18/81/50/1196188150.db2.gz	WFPNQLPBWMWGRB-INIZCTEOSA-N	0	1	386.500	0.848	20	30		GCEDMN
CN1CCN(c2ccc(CNC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)cn2)CC1	ZINC000329356599	1196188361	/nfs/dbraw/zinc/18/83/61/1196188361.db2.gz	WFPNQLPBWMWGRB-MRXNPFEDSA-N	0	1	386.500	0.848	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1	ZINC000329373475	1196189772	/nfs/dbraw/zinc/18/97/72/1196189772.db2.gz	NAJNOGZQLCBHEA-HNNXBMFYSA-N	0	1	383.452	0.826	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1	ZINC000329422334	1196194407	/nfs/dbraw/zinc/19/44/07/1196194407.db2.gz	FMJZQHWPXVAJFH-MRXNPFEDSA-N	0	1	380.514	0.925	20	30		GCEDMN
Cc1nnc2n1C[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)CC2	ZINC000329427858	1196195016	/nfs/dbraw/zinc/19/50/16/1196195016.db2.gz	JJGAAWLRSAFLDG-KBPBESRZSA-N	0	1	384.506	0.419	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](N3CCOCC3)C[C@H]1C)CC2	ZINC000329428301	1196195070	/nfs/dbraw/zinc/19/50/70/1196195070.db2.gz	JLVFRPDXZDOSGY-RBSFLKMASA-N	0	1	378.477	0.448	20	30		GCEDMN
CN1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CN(C)CCN3C)ccn2)CC1	ZINC000329472469	1196199429	/nfs/dbraw/zinc/19/94/29/1196199429.db2.gz	ZKEDXXTUZYHPBG-MRXNPFEDSA-N	0	1	389.504	0.041	20	30		GCEDMN
O=C(CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1)N[C@H]1CCS(=O)(=O)C1	ZINC000329591517	1196207946	/nfs/dbraw/zinc/20/79/46/1196207946.db2.gz	YZHAUEZZZDIPBC-ZDUSSCGKSA-N	0	1	395.485	0.189	20	30		GCEDMN
CCc1nsc(N2CCCN(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)n1	ZINC000329647514	1196215048	/nfs/dbraw/zinc/21/50/48/1196215048.db2.gz	AQRBKTCATPGAJZ-CQSZACIVSA-N	0	1	381.550	0.772	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H]1CS(=O)(=O)c3ccccc31)CC2	ZINC000329678114	1196219691	/nfs/dbraw/zinc/21/96/91/1196219691.db2.gz	VJYIYJQLBDJTEF-YPMHNXCESA-N	0	1	391.453	0.772	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H]1C	ZINC000329716810	1196226125	/nfs/dbraw/zinc/22/61/25/1196226125.db2.gz	WXEGBTADPXZWFT-QLFBSQMISA-N	0	1	388.534	0.244	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](C(=O)N3CCCC3)C1)CC2	ZINC000329798365	1196231872	/nfs/dbraw/zinc/23/18/72/1196231872.db2.gz	GIZAMBIVFFULCB-HUUCEWRRSA-N	0	1	390.488	0.988	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1)c1nnc[nH]1	ZINC000569941455	1196234623	/nfs/dbraw/zinc/23/46/23/1196234623.db2.gz	PTJBHAAUFGLMJS-WDEREUQCSA-N	0	1	398.470	0.377	20	30		GCEDMN
C[C@H](CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C)CC1	ZINC000330044124	1196248190	/nfs/dbraw/zinc/24/81/90/1196248190.db2.gz	CQNDULDKXMRFNB-KDOFPFPSSA-N	0	1	395.504	0.399	20	30		GCEDMN
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H]1CCc3nc(COC)nn3C1)CC2	ZINC000330069042	1196249813	/nfs/dbraw/zinc/24/98/13/1196249813.db2.gz	GVRPPTDNQUSWKM-SOUVJXGZSA-N	0	1	393.488	0.905	20	30		GCEDMN
Cn1cnc2c(c1=O)CCN(C(=O)NCc1ccc(N3CCN(C)CC3)nc1)C2	ZINC000330117305	1196253943	/nfs/dbraw/zinc/25/39/43/1196253943.db2.gz	WVBRDYXTYNUNPR-UHFFFAOYSA-N	0	1	397.483	0.399	20	30		GCEDMN
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccnc1N1CCN(C)CC1	ZINC000367132244	1196256228	/nfs/dbraw/zinc/25/62/28/1196256228.db2.gz	ZSKCJGSAMOHQCE-HNNXBMFYSA-N	0	1	380.518	0.649	20	30		GCEDMN
C[C@@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CCN1c1nccn2cnnc12	ZINC000330182690	1196258556	/nfs/dbraw/zinc/25/85/56/1196258556.db2.gz	HKNJKVAHUQZUBL-ZIAGYGMSSA-N	0	1	381.444	0.760	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)N1CCOCC1	ZINC000330339813	1196290837	/nfs/dbraw/zinc/29/08/37/1196290837.db2.gz	XDLXPWIQPAZNAM-GJZGRUSLSA-N	0	1	393.492	0.285	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO	ZINC000281708256	1196324867	/nfs/dbraw/zinc/32/48/67/1196324867.db2.gz	CQQJJYOEQPVEMR-NJAFHUGGSA-N	0	1	380.514	0.795	20	30		GCEDMN
CO/N=C/c1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)cc1	ZINC000281753168	1196330235	/nfs/dbraw/zinc/33/02/35/1196330235.db2.gz	PRDAGELGNHDRHA-XSFVSMFZSA-N	0	1	376.457	0.530	20	30		GCEDMN
NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CC#Cc4ccccc4)C[C@H]3C2)O1	ZINC001088104323	1196359081	/nfs/dbraw/zinc/35/90/81/1196359081.db2.gz	DKYOROLFINGPHN-FUMNGEBKSA-N	0	1	381.476	0.851	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Cn4cncn4)CC3)CC2)o1	ZINC000186260841	1196394442	/nfs/dbraw/zinc/39/44/42/1196394442.db2.gz	IOTMKFWQLXARNJ-UHFFFAOYSA-N	0	1	398.471	0.507	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000524686444	1196616619	/nfs/dbraw/zinc/61/66/19/1196616619.db2.gz	WUCLTMFNHMADMI-UHFFFAOYSA-N	0	1	395.441	0.367	20	30		GCEDMN
CN(CC(=O)NCCN1CCCOCC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000525877847	1196719696	/nfs/dbraw/zinc/71/96/96/1196719696.db2.gz	VLSRZTNMULVERC-UHFFFAOYSA-N	0	1	380.470	0.017	20	30		GCEDMN
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000528488364	1196865037	/nfs/dbraw/zinc/86/50/37/1196865037.db2.gz	RZVZPQINWCIABS-IAGOWNOFSA-N	0	1	379.482	0.798	20	30		GCEDMN
COC[C@@]1(C(=O)OC)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000451334967	1196989167	/nfs/dbraw/zinc/98/91/67/1196989167.db2.gz	MCEGMCGMXXTHTM-QFBILLFUSA-N	0	1	380.489	0.190	20	30		GCEDMN
Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)CN3CCN(C)CC3)CC2)c1C#N	ZINC000530460835	1196989919	/nfs/dbraw/zinc/98/99/19/1196989919.db2.gz	NAKGPNNAEDDECM-HNNXBMFYSA-N	0	1	388.520	0.068	20	30		GCEDMN
C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1	ZINC000451929744	1197024467	/nfs/dbraw/zinc/02/44/67/1197024467.db2.gz	QCBUUASDUSWUJL-FUHWJXTLSA-N	0	1	378.498	0.909	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)C[C@H]2C)CC1	ZINC000189408016	1197236997	/nfs/dbraw/zinc/23/69/97/1197236997.db2.gz	JLWIACOJGBQXGD-MSOLQXFVSA-N	0	1	379.549	0.456	20	30		GCEDMN
CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)CCCc2nn[nH]n2)c1	ZINC001625969601	1197265008	/nfs/dbraw/zinc/26/50/08/1197265008.db2.gz	GUFKBPRAJFLSJG-HMMYKYKNSA-N	0	1	391.457	0.974	20	30		GCEDMN
CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1	ZINC000051688509	1197272431	/nfs/dbraw/zinc/27/24/31/1197272431.db2.gz	DRFRIBRVGPBOLQ-UHFFFAOYSA-N	0	1	376.482	0.875	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000532498979	1197319848	/nfs/dbraw/zinc/31/98/48/1197319848.db2.gz	SCEFDIOZPCCFRV-UHFFFAOYSA-N	0	1	384.484	0.615	20	30		GCEDMN
COCCCN(CCOC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000532925123	1197421120	/nfs/dbraw/zinc/42/11/20/1197421120.db2.gz	CWDFMQIJYFYVSP-UHFFFAOYSA-N	0	1	379.461	0.488	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1	ZINC000533572785	1197459158	/nfs/dbraw/zinc/45/91/58/1197459158.db2.gz	BWMQUHMLDXCXRB-ZDUSSCGKSA-N	0	1	376.442	0.684	20	30		GCEDMN
N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1	ZINC000533572685	1197459184	/nfs/dbraw/zinc/45/91/84/1197459184.db2.gz	HCFXOKMGAHZHSW-CYBMUJFWSA-N	0	1	389.441	0.411	20	30		GCEDMN
C#CCN1CC2(CN(C(=O)c3cc(Br)c(O)cc3O)C2)OCC1=O	ZINC001272112920	1197519079	/nfs/dbraw/zinc/51/90/79/1197519079.db2.gz	NHROQKSEAYVBOI-UHFFFAOYSA-N	0	1	395.209	0.547	20	30		GCEDMN
C=CCNC(=O)CNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000272041068	1197560749	/nfs/dbraw/zinc/56/07/49/1197560749.db2.gz	WDDIYBRWQUPDLU-UHFFFAOYSA-N	0	1	389.500	0.809	20	30		GCEDMN
CC(C)[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(N)=O	ZINC000459479345	1197581665	/nfs/dbraw/zinc/58/16/65/1197581665.db2.gz	KLTATZYTTPILEN-KBXCAEBGSA-N	0	1	377.514	0.947	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2(C#N)CCN(C)CC2)[C@H](C)O)cc1	ZINC000542784007	1199041068	/nfs/dbraw/zinc/04/10/68/1199041068.db2.gz	YSRPDLHZLUGMBV-HOCLYGCPSA-N	0	1	394.497	0.127	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000542801255	1199051604	/nfs/dbraw/zinc/05/16/04/1199051604.db2.gz	QWWVTWCCZPVGAG-MSOLQXFVSA-N	0	1	384.484	0.599	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](OC)C1	ZINC001212458528	1199244237	/nfs/dbraw/zinc/24/42/37/1199244237.db2.gz	IRDGQCDVCYOYBD-SYQHCUMBSA-N	0	1	382.379	0.351	20	30		GCEDMN
Cn1c2ccccc2nc1C(C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000765966676	1199265017	/nfs/dbraw/zinc/26/50/17/1199265017.db2.gz	JQYGUFOKYNINJO-CYBMUJFWSA-N	0	1	375.454	0.327	20	30		GCEDMN
C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1=O	ZINC001003364568	1199506471	/nfs/dbraw/zinc/50/64/71/1199506471.db2.gz	INGDORQAMCXYTH-DZJNRPSUSA-N	0	1	377.485	0.405	20	30		GCEDMN
COCCOCCc1ncc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[nH]1	ZINC000555190470	1199815406	/nfs/dbraw/zinc/81/54/06/1199815406.db2.gz	GZPKLPRHNJXBDV-UHFFFAOYSA-N	0	1	384.440	0.844	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4[nH]nnc4C2)C3)[nH]1	ZINC001004335181	1199861906	/nfs/dbraw/zinc/86/19/06/1199861906.db2.gz	IAIOBRGXXXTWJF-VBZUEUGKSA-N	0	1	379.424	0.671	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4nn[nH]c4C2)C3)[nH]1	ZINC001004335181	1199861907	/nfs/dbraw/zinc/86/19/07/1199861907.db2.gz	IAIOBRGXXXTWJF-VBZUEUGKSA-N	0	1	379.424	0.671	20	30		GCEDMN
CNS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1O	ZINC000509058995	1199890263	/nfs/dbraw/zinc/89/02/63/1199890263.db2.gz	WZZRDAOSIAKJFY-UHFFFAOYSA-N	0	1	388.405	0.540	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnnc2C)C3)CC1	ZINC001004577714	1199903034	/nfs/dbraw/zinc/90/30/34/1199903034.db2.gz	DCZLVJARJJFQNV-QRQLOZEOSA-N	0	1	381.480	0.992	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O	ZINC001083848372	1199998091	/nfs/dbraw/zinc/99/80/91/1199998091.db2.gz	YWZPKVMMGJWNRR-ZMMAXQRCSA-N	0	1	375.469	0.418	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)NCc1n[nH]c(COc2ccccc2)n1	ZINC000282489434	1200064233	/nfs/dbraw/zinc/06/42/33/1200064233.db2.gz	YDKPDORLBJDTRH-UHFFFAOYSA-N	0	1	394.457	0.580	20	30		GCEDMN
N#CCCn1ccc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)n1	ZINC000602852292	1200669637	/nfs/dbraw/zinc/66/96/37/1200669637.db2.gz	OWNXNEKZYRJEOL-INIZCTEOSA-N	0	1	375.477	0.715	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(-c2nccn2C)n[nH]1	ZINC000378206348	1200670117	/nfs/dbraw/zinc/67/01/17/1200670117.db2.gz	ZRGRDVMVAPUYHM-NSHDSACASA-N	0	1	399.436	0.987	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000539173649	1200713142	/nfs/dbraw/zinc/71/31/42/1200713142.db2.gz	QTCJRVOWKUHOHD-HNNXBMFYSA-N	0	1	390.488	0.921	20	30		GCEDMN
CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)CCCc1[nH]nc(N)c1C#N	ZINC000535547568	1201093337	/nfs/dbraw/zinc/09/33/37/1201093337.db2.gz	HUGSORAMXSGRJE-HNNXBMFYSA-N	0	1	376.461	0.672	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC(C)(C)N1CCN(C)CC1	ZINC000611577044	1201102548	/nfs/dbraw/zinc/10/25/48/1201102548.db2.gz	XCBLZLKHNHJYFD-UHFFFAOYSA-N	0	1	376.509	0.464	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000542825820	1201103443	/nfs/dbraw/zinc/10/34/43/1201103443.db2.gz	TUFHKJSLCDCOPQ-CQSZACIVSA-N	0	1	377.493	0.794	20	30		GCEDMN
N#CC(C(=O)c1ccc2n[nH]c(=O)n2c1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000536715396	1201160167	/nfs/dbraw/zinc/16/01/67/1201160167.db2.gz	TWGFLRFZVKZQQZ-GFCCVEGCSA-N	0	1	387.363	0.858	20	30		GCEDMN
COC(=O)[C@H]1CC12CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2	ZINC000611371759	1201233369	/nfs/dbraw/zinc/23/33/69/1201233369.db2.gz	CDRYOOYQMUUTOG-IAGOWNOFSA-N	0	1	376.501	0.954	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NC)CC2)[C@H]2COC[C@H]21	ZINC001079242963	1201251327	/nfs/dbraw/zinc/25/13/27/1201251327.db2.gz	CMKIBRIIZSFRFS-XDNAFOTISA-N	0	1	391.512	0.653	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1OC	ZINC001081687358	1201299279	/nfs/dbraw/zinc/29/92/79/1201299279.db2.gz	SSUSRFXHMKASKG-ZJPYXAASSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CCCN3C(=O)CNC3=O)C[C@H]21	ZINC001084674702	1201433711	/nfs/dbraw/zinc/43/37/11/1201433711.db2.gz	SRIREYUCYQIOFA-FPCVCCKLSA-N	0	1	376.457	0.052	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1n[nH]c(-c2ccccc2)n1	ZINC000732466867	1201544820	/nfs/dbraw/zinc/54/48/20/1201544820.db2.gz	SGALLWXRXKJZDG-BMRADRMJSA-N	0	1	381.396	0.797	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1nc(-c2ccccc2)n[nH]1	ZINC000732466867	1201544825	/nfs/dbraw/zinc/54/48/25/1201544825.db2.gz	SGALLWXRXKJZDG-BMRADRMJSA-N	0	1	381.396	0.797	20	30		GCEDMN
Cc1c(C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)nnn1C	ZINC000744035720	1201834006	/nfs/dbraw/zinc/83/40/06/1201834006.db2.gz	VDGWCOJCPPQKTR-VIFPVBQESA-N	0	1	386.324	0.764	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001273426851	1201859342	/nfs/dbraw/zinc/85/93/42/1201859342.db2.gz	CUIBPSNPPPYVSR-OCCSQVGLSA-N	0	1	395.506	0.440	20	30		GCEDMN
N#CCn1cc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)cn1	ZINC000746343805	1201911952	/nfs/dbraw/zinc/91/19/52/1201911952.db2.gz	HLFPNEMQKCIAMU-UHFFFAOYSA-N	0	1	395.467	0.279	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1	ZINC000103454518	1201959509	/nfs/dbraw/zinc/95/95/09/1201959509.db2.gz	CAKGDMHTJGAWOC-KRWDZBQOSA-N	0	1	378.517	0.017	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[N-]C(=O)C(F)(F)F	ZINC001109267613	1202010544	/nfs/dbraw/zinc/01/05/44/1202010544.db2.gz	QYLSMALKTIYMFO-CRWXNKLISA-N	0	1	375.391	0.815	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC[N-]C(=O)C(F)(F)F	ZINC001109267613	1202010545	/nfs/dbraw/zinc/01/05/45/1202010545.db2.gz	QYLSMALKTIYMFO-CRWXNKLISA-N	0	1	375.391	0.815	20	30		GCEDMN
CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1	ZINC001109364292	1202030645	/nfs/dbraw/zinc/03/06/45/1202030645.db2.gz	YWJTYARJSDRQGU-IKGGRYGDSA-N	0	1	376.482	0.719	20	30		GCEDMN
CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1	ZINC001109364097	1202030795	/nfs/dbraw/zinc/03/07/95/1202030795.db2.gz	OGRFBHYCBXUOFQ-IKGGRYGDSA-N	0	1	376.482	0.719	20	30		GCEDMN
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2	ZINC001109383907	1202035287	/nfs/dbraw/zinc/03/52/87/1202035287.db2.gz	RSWSIYIDLWOCLH-KCXAZCMYSA-N	0	1	379.424	0.447	20	30		GCEDMN
CCC[C@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000769583648	1202063268	/nfs/dbraw/zinc/06/32/68/1202063268.db2.gz	FCFZFUCFBHHPSE-CQSZACIVSA-N	0	1	378.454	0.932	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(Cn2cncn2)cc1)c1ccn[nH]1	ZINC000770823777	1202114633	/nfs/dbraw/zinc/11/46/33/1202114633.db2.gz	LMNGGKUOGHDHJQ-UHFFFAOYSA-N	0	1	397.395	0.972	20	30		GCEDMN
Cn1ccnc1C(=O)C(C#N)=C(O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	ZINC000770872121	1202116592	/nfs/dbraw/zinc/11/65/92/1202116592.db2.gz	SDSVUPNGPRATNO-GXTWGEPZSA-N	0	1	382.355	0.571	20	30		GCEDMN
CCN(C)c1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771888915	1202166384	/nfs/dbraw/zinc/16/63/84/1202166384.db2.gz	IELAMQFOKWXZRG-UHFFFAOYSA-N	0	1	393.469	0.243	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CSCCc3ccccc32)c(=O)n(C)c1=O	ZINC000771888651	1202166414	/nfs/dbraw/zinc/16/64/14/1202166414.db2.gz	FERPUECTMGUPHT-UHFFFAOYSA-N	0	1	394.478	0.056	20	30		GCEDMN
CCn1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21	ZINC000771889288	1202166487	/nfs/dbraw/zinc/16/64/87/1202166487.db2.gz	ALUFXQZJIYUJNJ-UHFFFAOYSA-N	0	1	389.437	0.371	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCCCc3ccccc32)c(=O)n(C)c1=O	ZINC000771888778	1202166966	/nfs/dbraw/zinc/16/69/66/1202166966.db2.gz	GOTHPUIMTFMKMS-UHFFFAOYSA-N	0	1	376.438	0.493	20	30		GCEDMN
Cc1ccccc1C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1	ZINC000771889808	1202167813	/nfs/dbraw/zinc/16/78/13/1202167813.db2.gz	BNMJOASOFOXGOD-UHFFFAOYSA-N	0	1	376.438	0.485	20	30		GCEDMN
Cc1ccc(CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(C)C)cc1	ZINC000771893124	1202168307	/nfs/dbraw/zinc/16/83/07/1202168307.db2.gz	XDFDZPBHOGDNOD-UHFFFAOYSA-N	0	1	392.481	0.925	20	30		GCEDMN
CCOc1cccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000771892138	1202168567	/nfs/dbraw/zinc/16/85/67/1202168567.db2.gz	OCRRHJJHJRDPTD-UHFFFAOYSA-N	0	1	380.426	0.185	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1	ZINC000771897557	1202168830	/nfs/dbraw/zinc/16/88/30/1202168830.db2.gz	FZHJOJGCJICKGZ-UHFFFAOYSA-N	0	1	386.433	0.940	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(CC)cc1	ZINC000771898550	1202169106	/nfs/dbraw/zinc/16/91/06/1202169106.db2.gz	ZKYHNNGDHQQQJR-UHFFFAOYSA-N	0	1	378.454	0.739	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C(Cc2ccccc2)C2CC2)c(=O)n(C)c1=O	ZINC000771896738	1202169156	/nfs/dbraw/zinc/16/91/56/1202169156.db2.gz	HZJOCRGKEGKWSE-UHFFFAOYSA-N	0	1	376.438	0.371	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000772109733	1202174818	/nfs/dbraw/zinc/17/48/18/1202174818.db2.gz	IKSQXYUFNKLLDY-RDJZCZTQSA-N	0	1	398.525	0.689	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000772109734	1202174830	/nfs/dbraw/zinc/17/48/30/1202174830.db2.gz	IKSQXYUFNKLLDY-WBVHZDCISA-N	0	1	398.525	0.689	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N(C)Cc1nnc2ccccn21)c1cc[nH]n1	ZINC000772155609	1202176516	/nfs/dbraw/zinc/17/65/16/1202176516.db2.gz	LAZLVLHMAHBAIY-UHFFFAOYSA-N	0	1	385.384	0.395	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CCCO1	ZINC000787734682	1205401625	/nfs/dbraw/zinc/40/16/25/1205401625.db2.gz	CRHQYOLIZXKBNV-SLFFLAALSA-N	0	1	398.507	0.388	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@@H]1n1ccnn1	ZINC001129856179	1205521124	/nfs/dbraw/zinc/52/11/24/1205521124.db2.gz	ZPNYSJPZWSDSSD-RDGPPVDQSA-N	0	1	389.500	0.721	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1	ZINC001130038018	1205530069	/nfs/dbraw/zinc/53/00/69/1205530069.db2.gz	HYZRQHFHORFLIG-DFGXFYAUSA-N	0	1	390.488	0.079	20	30		GCEDMN
COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[nH]1	ZINC001130227909	1205538542	/nfs/dbraw/zinc/53/85/42/1205538542.db2.gz	VBAYWKVNBIHQKV-NARAOEGZSA-N	0	1	387.484	0.723	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n[nH]1	ZINC000805847271	1205545637	/nfs/dbraw/zinc/54/56/37/1205545637.db2.gz	PGIKSPCVSXVRDF-UHFFFAOYSA-N	0	1	397.439	0.674	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n[nH]1	ZINC000805846582	1205545760	/nfs/dbraw/zinc/54/57/60/1205545760.db2.gz	QCWDBKNWFAIHOB-SFHVURJKSA-N	0	1	380.452	0.825	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cn(C)cn1	ZINC001130624360	1205556390	/nfs/dbraw/zinc/55/63/90/1205556390.db2.gz	RUYVOBGWUUYDKU-SFFNPBHPSA-N	0	1	386.496	0.913	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NCC)C1	ZINC001131071951	1205591720	/nfs/dbraw/zinc/59/17/20/1205591720.db2.gz	FTHANIZATHBHCP-ANQUJSFKSA-N	0	1	375.473	0.031	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cncn1C	ZINC001131072421	1205591776	/nfs/dbraw/zinc/59/17/76/1205591776.db2.gz	YDNLBBXAOPPHFP-KONPQCLYSA-N	0	1	387.484	0.197	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cncn1C	ZINC001131075936	1205593718	/nfs/dbraw/zinc/59/37/18/1205593718.db2.gz	ABQAJAKFBPQFPJ-HBPKQKSZSA-N	0	1	387.484	0.174	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S	ZINC000747475141	1205604549	/nfs/dbraw/zinc/60/45/49/1205604549.db2.gz	MLJQBAQLZZQOTE-UHFFFAOYSA-N	0	1	397.464	0.953	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1	ZINC000747818380	1205668273	/nfs/dbraw/zinc/66/82/73/1205668273.db2.gz	OGIUSBZKZCBBGB-KRWDZBQOSA-N	0	1	398.507	0.891	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2CCN(c3ccccc3F)CC2)CC1	ZINC000747818017	1205668356	/nfs/dbraw/zinc/66/83/56/1205668356.db2.gz	DQUSTSYPEILDKA-UHFFFAOYSA-N	0	1	386.471	0.936	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000747818404	1205668489	/nfs/dbraw/zinc/66/84/89/1205668489.db2.gz	PUVQDOXXFDXAMZ-DOTOQJQBSA-N	0	1	385.464	0.793	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000747820432	1205668691	/nfs/dbraw/zinc/66/86/91/1205668691.db2.gz	VWYPSCCSWIODNQ-OAHLLOKOSA-N	0	1	377.485	0.638	20	30		GCEDMN
Cc1nc(C(=O)NCc2ccc(C#N)cn2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000813709328	1205679276	/nfs/dbraw/zinc/67/92/76/1205679276.db2.gz	IKMKXEJMYOABMS-UHFFFAOYSA-N	0	1	377.290	0.909	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1ccc(-n2cc[nH+]c2C)nn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170744295	1205690738	/nfs/dbraw/zinc/69/07/38/1205690738.db2.gz	TYBOSKMEYDTHFR-SJKOYZFVSA-N	0	1	388.453	0.936	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC(C)(C)Oc3ccsc32)c(=O)n(C)c1=O	ZINC000814883740	1205696569	/nfs/dbraw/zinc/69/65/69/1205696569.db2.gz	YUHFDDCNZIOFRR-UHFFFAOYSA-N	0	1	398.466	0.389	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F	ZINC000814883682	1205696597	/nfs/dbraw/zinc/69/65/97/1205696597.db2.gz	WUCOFFIDEJWBDI-UHFFFAOYSA-N	0	1	386.380	0.455	20	30		GCEDMN
CN(C)C(=O)CN1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC001173431613	1205720940	/nfs/dbraw/zinc/72/09/40/1205720940.db2.gz	KICFWETVSZICSM-UHFFFAOYSA-N	0	1	383.496	0.869	20	30		GCEDMN
[NH3+]CCC[N@@H+](C[C@H](S)OP(=O)([O-])[O-])[C@H]1CCC[C@H](n2ncnn2)C1	ZINC001173750115	1205727290	/nfs/dbraw/zinc/72/72/90/1205727290.db2.gz	MUXWQMWUHFOOOY-SRVKXCTJSA-N	0	1	380.411	0.173	20	30		GCEDMN
N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cc4c[nH]cn4)C3)OCC2=O)cc1	ZINC001176829298	1205755825	/nfs/dbraw/zinc/75/58/25/1205755825.db2.gz	PHUXOMVJWUNJGI-HXUWFJFHSA-N	0	1	395.419	0.485	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCCC[C@@H]1C(=O)OCC)c1cc[nH]n1	ZINC001177258610	1205764221	/nfs/dbraw/zinc/76/42/21/1205764221.db2.gz	MCEIHNGLWGIGGA-LKCUONQHSA-N	0	1	380.401	0.638	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(C(N)=S)c1)c1ccn[nH]1	ZINC001177262842	1205765419	/nfs/dbraw/zinc/76/54/19/1205765419.db2.gz	JRSIAYXPFRLGOB-STZFKDTASA-N	0	1	375.410	0.966	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](CO)Cc1ccccc1)c1ccn[nH]1	ZINC001177263761	1205765473	/nfs/dbraw/zinc/76/54/73/1205765473.db2.gz	CYLXAODRRCVVQS-VKWHMPGMSA-N	0	1	388.424	0.661	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C)C1)c1cc[nH]n1	ZINC001177262792	1205765490	/nfs/dbraw/zinc/76/54/90/1205765490.db2.gz	GPDZUENTYPIUGK-NWNVUUKXSA-N	0	1	391.428	0.163	20	30		GCEDMN
C=C[C@@H]1C[C@]1(NC(=O)C(=NOCC(=O)OCC)c1ccn[nH]1)C(=O)OCC	ZINC001177263692	1205765542	/nfs/dbraw/zinc/76/55/42/1205765542.db2.gz	ALHYNIVRXFQNJE-JPGKEMEBSA-N	0	1	378.385	0.318	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(=O)N1CCc2ccccc21)c1ccn[nH]1	ZINC001177263042	1205765546	/nfs/dbraw/zinc/76/55/46/1205765546.db2.gz	NPAARAGYPNBSRZ-NKFKGCMQSA-N	0	1	399.407	0.399	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2)c1cc[nH]n1	ZINC001177263373	1205765556	/nfs/dbraw/zinc/76/55/56/1205765556.db2.gz	QWVIZIRHCQSCIP-JZZFLAEZSA-N	0	1	390.318	0.624	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCc2cnc(OC)cc2C1)c1cc[nH]n1	ZINC001177263005	1205765602	/nfs/dbraw/zinc/76/56/02/1205765602.db2.gz	JWBHZXYAMHUFCY-XLNRJJMWSA-N	0	1	387.396	0.682	20	30		GCEDMN
CCCCOC(=O)[C@H]1CCN(C(=O)/C(=N\OCC(=O)OCC)c2cc[nH]n2)C1	ZINC001177263282	1205765628	/nfs/dbraw/zinc/76/56/28/1205765628.db2.gz	PKJNBKSUARUSPB-JPDJOPTESA-N	0	1	394.428	0.885	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC2(C[C@@H](F)CO2)CC1)c1cc[nH]n1	ZINC001177263663	1205765669	/nfs/dbraw/zinc/76/56/69/1205765669.db2.gz	ZLZWTJZWMUGJCJ-DMJQWXIHSA-N	0	1	382.392	0.813	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CCSC)C(C)(C)O)c1ccn[nH]1	ZINC001177264201	1205765792	/nfs/dbraw/zinc/76/57/92/1205765792.db2.gz	WULVKZNHJNOREZ-KMCFQHSYSA-N	0	1	386.474	0.702	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(O)cc1)c1ccn[nH]1	ZINC001177263859	1205765815	/nfs/dbraw/zinc/76/58/15/1205765815.db2.gz	HRGBXAKCCZNDLJ-VDVBZYJVSA-N	0	1	376.369	0.249	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@H]1C(=O)OCC)c1ccn[nH]1	ZINC001177264211	1205765823	/nfs/dbraw/zinc/76/58/23/1205765823.db2.gz	XCQYCTCWAPNBFO-BFXUUKRPSA-N	0	1	380.401	0.542	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cn2cccc(C)c2n1)c1ccn[nH]1	ZINC001177264261	1205765847	/nfs/dbraw/zinc/76/58/47/1205765847.db2.gz	YSBPWBDHQXIGTL-KQWNVCNZSA-N	0	1	384.396	0.966	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCCc2ccc(CN)nc21)c1cc[nH]n1	ZINC001177264245	1205765881	/nfs/dbraw/zinc/76/58/81/1205765881.db2.gz	YIUVQTUYARMNKV-KQWNVCNZSA-N	0	1	386.412	0.527	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cc(C(=O)OC)ccn1)c1ccn[nH]1	ZINC001177264063	1205765988	/nfs/dbraw/zinc/76/59/88/1205765988.db2.gz	QACGXCXDHLQZMV-JCMHNJIXSA-N	0	1	389.368	0.192	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc2oc(=O)[nH]c2c1)c1ccn[nH]1	ZINC001177266739	1205766218	/nfs/dbraw/zinc/76/62/18/1205766218.db2.gz	OHAFFTPQBNCMOR-JCMHNJIXSA-N	0	1	387.352	0.857	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H]1C(=O)Nc2ccccc21)c1ccn[nH]1	ZINC001177266813	1205766288	/nfs/dbraw/zinc/76/62/88/1205766288.db2.gz	PLDJBXNBIZNURC-KMOKPBRQSA-N	0	1	385.380	0.546	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC(C(=O)OC(C)C)CC1)c1cc[nH]n1	ZINC001178162795	1205783059	/nfs/dbraw/zinc/78/30/59/1205783059.db2.gz	AMRHGBPTMLYJLF-UHFFFAOYSA-N	0	1	394.428	0.884	20	30		GCEDMN
C#CCN1CCC(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC001178208794	1205783891	/nfs/dbraw/zinc/78/38/91/1205783891.db2.gz	WJKGAIUBGPXWDS-UHFFFAOYSA-N	0	1	376.438	1.000	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[C@@H]1CCCO1	ZINC000773799192	1205801864	/nfs/dbraw/zinc/80/18/64/1205801864.db2.gz	RPKAPBFNTWDKTF-OALUTQOASA-N	0	1	384.480	0.670	20	30		GCEDMN
CCOC(=O)C1(NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CCN(C)CC1	ZINC001180785084	1205832117	/nfs/dbraw/zinc/83/21/17/1205832117.db2.gz	UUQYKFDBLCFVML-ZDUSSCGKSA-N	0	1	382.461	0.937	20	30		GCEDMN
N#Cc1ccccc1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O	ZINC001181806376	1205850247	/nfs/dbraw/zinc/85/02/47/1205850247.db2.gz	YMQLUIJICIOPBK-IRXDYDNUSA-N	0	1	394.435	0.028	20	30		GCEDMN
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1cnc[nH]1	ZINC001182977905	1205885293	/nfs/dbraw/zinc/88/52/93/1205885293.db2.gz	ZCWYLDGOFAOEJZ-JYJNAYRXSA-N	0	1	393.488	0.487	20	30		GCEDMN
N#C[C@H](Cc1ccc(O)cc1)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1	ZINC001183613993	1205896988	/nfs/dbraw/zinc/89/69/88/1205896988.db2.gz	YRHJXPDAMNMFSK-AWEZNQCLSA-N	0	1	395.419	0.812	20	30		GCEDMN
CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184378686	1205908631	/nfs/dbraw/zinc/90/86/31/1205908631.db2.gz	CDIAUFJEKVKWQF-JKSUJKDBSA-N	0	1	397.391	0.897	20	30		GCEDMN
CN(C)[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccccc1	ZINC000774780286	1205913373	/nfs/dbraw/zinc/91/33/73/1205913373.db2.gz	MOJGNRYPFDPXRP-QGZVFWFLSA-N	0	1	380.452	0.900	20	30		GCEDMN
CCOC(=O)c1sc(S(=O)(=O)N[C@H](C(=O)NO)[C@@H](C)CC)nc1C	ZINC001184995831	1205915857	/nfs/dbraw/zinc/91/58/57/1205915857.db2.gz	FPBWTYLENIVXCO-CBAPKCEASA-N	0	1	379.460	0.827	20	30		GCEDMN
CN1CCN(Cc2ccccc2C(=O)Nc2nc(C#N)c(C#N)nc2N)CC1	ZINC001188338159	1205979872	/nfs/dbraw/zinc/97/98/72/1205979872.db2.gz	GDYNRQHFWRKRAF-UHFFFAOYSA-N	0	1	376.424	0.802	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(OCCO)c(OC)c2)CC1	ZINC000775195083	1205991373	/nfs/dbraw/zinc/99/13/73/1205991373.db2.gz	IQIWRJSLGXQJQR-MRXNPFEDSA-N	0	1	375.469	0.494	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000775239142	1206002129	/nfs/dbraw/zinc/00/21/29/1206002129.db2.gz	WNQYMIVHPDELID-HNNXBMFYSA-N	0	1	378.498	0.023	20	30		GCEDMN
COc1nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)ncc1C#N	ZINC001164868542	721267424	/nfs/dbraw/zinc/26/74/24/721267424.db2.gz	BCKYUXFCFRYCQT-UHFFFAOYSA-N	0	1	388.472	0.364	20	30		GCEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ncc4c(C#N)c[nH]c4n3)CC2)C1	ZINC001164873569	721280826	/nfs/dbraw/zinc/28/08/26/721280826.db2.gz	OOMDTLQDEFRAMU-UHFFFAOYSA-N	0	1	397.483	0.837	20	30		GCEDMN
CC(=O)N1CCN(c2ccc(Nc3cnc(C#N)c(-c4nn[nH]n4)n3)cc2)CC1	ZINC001573451307	945835214	/nfs/dbraw/zinc/83/52/14/945835214.db2.gz	STPYPNRHBPFOFV-UHFFFAOYSA-N	0	1	390.411	0.940	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(CCC#N)CC3CC3)CC2)o1	ZINC000822423600	946087479	/nfs/dbraw/zinc/08/74/79/946087479.db2.gz	MCFVQMULHRRCFS-UHFFFAOYSA-N	0	1	399.459	0.437	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N(C)CCCNc2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573281972	946682319	/nfs/dbraw/zinc/68/23/19/946682319.db2.gz	DNIDURCQNISRGV-UHFFFAOYSA-N	0	1	383.460	0.262	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC1	ZINC001573282244	946688020	/nfs/dbraw/zinc/68/80/20/946688020.db2.gz	HFUOUUOVEMAXSH-UHFFFAOYSA-N	0	1	381.444	0.063	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1	ZINC001573282273	946688139	/nfs/dbraw/zinc/68/81/39/946688139.db2.gz	HTSWMXQEGYFMLL-OKILXGFUSA-N	0	1	381.444	0.061	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1	ZINC001573282273	946688150	/nfs/dbraw/zinc/68/81/50/946688150.db2.gz	HTSWMXQEGYFMLL-OKILXGFUSA-N	0	1	381.444	0.061	20	30		GCEDMN
C#CCCCC(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2	ZINC001573284601	946752499	/nfs/dbraw/zinc/75/24/99/946752499.db2.gz	HBMXVROQFISMHR-GOSISDBHSA-N	0	1	382.428	0.268	20	30		GCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1-c1nn[nH]n1	ZINC001573284862	946760208	/nfs/dbraw/zinc/76/02/08/946760208.db2.gz	AAXODWTWMLEBQT-AEFFLSMTSA-N	0	1	381.484	0.949	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573285669	946784650	/nfs/dbraw/zinc/78/46/50/946784650.db2.gz	KTSCIENCUIMNKN-CQSZACIVSA-N	0	1	385.472	0.927	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccncc2-c2nn[nH]n2)C1	ZINC001573286052	946794691	/nfs/dbraw/zinc/79/46/91/946794691.db2.gz	SLLUZSRURQURHC-QLFBSQMISA-N	0	1	383.456	0.618	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573287051	946826128	/nfs/dbraw/zinc/82/61/28/946826128.db2.gz	LAYRTWIDPYPNBY-MGPQQGTHSA-N	0	1	384.444	0.204	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573287098	946827448	/nfs/dbraw/zinc/82/74/48/946827448.db2.gz	FAKJPDVDGCYEOD-IUODEOHRSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1ccc(C(=O)N(C)CCOCCNc2ccncc2-c2nn[nH]n2)cc1	ZINC001573287353	946835667	/nfs/dbraw/zinc/83/56/67/946835667.db2.gz	BIXYOGWRACRZHP-UHFFFAOYSA-N	0	1	391.435	0.866	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1	ZINC001573287535	946841797	/nfs/dbraw/zinc/84/17/97/946841797.db2.gz	JJUUICGDPSFEDX-QWHCGFSZSA-N	0	1	376.424	0.987	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573288981	946878876	/nfs/dbraw/zinc/87/88/76/946878876.db2.gz	WBXAHQQBNNSTFF-OAHLLOKOSA-N	0	1	389.423	0.562	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)nc1	ZINC001573290172	946897580	/nfs/dbraw/zinc/89/75/80/946897580.db2.gz	GFWHUIXMYSROBR-HWWDLCQESA-N	0	1	386.419	0.811	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1	ZINC001573290149	946898837	/nfs/dbraw/zinc/89/88/37/946898837.db2.gz	FUFRXQQCTAZURL-XJKSGUPXSA-N	0	1	388.435	0.880	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)c1	ZINC001573291458	946920721	/nfs/dbraw/zinc/92/07/21/946920721.db2.gz	DNRPUHNBHMHYQQ-GASCZTMLSA-N	0	1	387.407	0.241	20	30		GCEDMN
C#Cc1cncc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1	ZINC001573292183	946928117	/nfs/dbraw/zinc/92/81/17/946928117.db2.gz	PJWMKYDSJBSOJH-UHFFFAOYSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#Cc1cncc(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573292407	946934214	/nfs/dbraw/zinc/93/42/14/946934214.db2.gz	VNXUUWWUQWIGLL-CQSZACIVSA-N	0	1	389.423	0.679	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573292344	946934337	/nfs/dbraw/zinc/93/43/37/946934337.db2.gz	UJIKQOPUDLBPDP-DZGCQCFKSA-N	0	1	389.423	0.466	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573561200	946960585	/nfs/dbraw/zinc/96/05/85/946960585.db2.gz	JDSIIKWFUIHYCG-JGVFFNPUSA-N	0	1	384.853	0.392	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573565540	947009808	/nfs/dbraw/zinc/00/98/08/947009808.db2.gz	RTKVBHDMINXGQB-LLVKDONJSA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573565540	947009819	/nfs/dbraw/zinc/00/98/19/947009819.db2.gz	RTKVBHDMINXGQB-LLVKDONJSA-N	0	1	375.458	0.531	20	30		GCEDMN
C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)C1	ZINC001573296938	947057545	/nfs/dbraw/zinc/05/75/45/947057545.db2.gz	BVAIBBFIYDVORF-IBGZPJMESA-N	0	1	383.456	0.984	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573568193	947068219	/nfs/dbraw/zinc/06/82/19/947068219.db2.gz	ZDIBHLYFWRXKIC-NWDGAFQWSA-N	0	1	375.458	0.795	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573568193	947068226	/nfs/dbraw/zinc/06/82/26/947068226.db2.gz	ZDIBHLYFWRXKIC-NWDGAFQWSA-N	0	1	375.458	0.795	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573568195	947068410	/nfs/dbraw/zinc/06/84/10/947068410.db2.gz	ZDIBHLYFWRXKIC-VXGBXAGGSA-N	0	1	375.458	0.795	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573568195	947068423	/nfs/dbraw/zinc/06/84/23/947068423.db2.gz	ZDIBHLYFWRXKIC-VXGBXAGGSA-N	0	1	375.458	0.795	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1	ZINC001573582913	947198113	/nfs/dbraw/zinc/19/81/13/947198113.db2.gz	HWTVGHNSNBZNTP-IUODEOHRSA-N	0	1	389.423	0.864	20	30		GCEDMN
C[C@H](C#N)C(=O)NCCN1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1	ZINC001573583752	947206995	/nfs/dbraw/zinc/20/69/95/947206995.db2.gz	OJQIETCEBGSNDI-LLVKDONJSA-N	0	1	387.423	0.553	20	30		GCEDMN
CCOc1ccc(OCCNC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1	ZINC000825643078	947267229	/nfs/dbraw/zinc/26/72/29/947267229.db2.gz	HYFDJBFMNRWKLP-UHFFFAOYSA-N	0	1	382.384	0.529	20	30		GCEDMN
COC(=O)C(C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N)=C1Nc2ccccc2N1	ZINC000826098801	947427522	/nfs/dbraw/zinc/42/75/22/947427522.db2.gz	PIDJJCHEYYCABU-UHFFFAOYSA-N	0	1	391.351	0.426	20	30		GCEDMN
C=CCCCC(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573334590	947459816	/nfs/dbraw/zinc/45/98/16/947459816.db2.gz	PERBSNXZKSODAY-AWEZNQCLSA-N	0	1	386.460	0.803	20	30		GCEDMN
C=CCCOCC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1	ZINC001573336084	947497261	/nfs/dbraw/zinc/49/72/61/947497261.db2.gz	HXVGMAVPWYWILK-UHFFFAOYSA-N	0	1	386.460	0.902	20	30		GCEDMN
C=CCCOCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573336524	947505226	/nfs/dbraw/zinc/50/52/26/947505226.db2.gz	OKZLFYXIBMQXFF-AWEZNQCLSA-N	0	1	387.444	0.484	20	30		GCEDMN
C=CCOCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1	ZINC001573342863	947547008	/nfs/dbraw/zinc/54/70/08/947547008.db2.gz	FTLDLQGWANUGMD-KGLIPLIRSA-N	0	1	386.460	0.710	20	30		GCEDMN
C=CCOc1cccnc1C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573348376	947583199	/nfs/dbraw/zinc/58/31/99/947583199.db2.gz	PXKIAMTYMUEVMT-NSHDSACASA-N	0	1	381.400	0.269	20	30		GCEDMN
COc1ccc(OC)c([C@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c1	ZINC000826211264	947615203	/nfs/dbraw/zinc/61/52/03/947615203.db2.gz	VZRJOQKCYXMYNL-JTQLQIEISA-N	0	1	382.384	0.829	20	30		GCEDMN
COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c1	ZINC000826211265	947616323	/nfs/dbraw/zinc/61/63/23/947616323.db2.gz	VZRJOQKCYXMYNL-SNVBAGLBSA-N	0	1	382.384	0.829	20	30		GCEDMN
C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1	ZINC001573351822	947621058	/nfs/dbraw/zinc/62/10/58/947621058.db2.gz	VNTKALWXFIRLDS-QWHCGFSZSA-N	0	1	394.443	0.472	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573352039	947622798	/nfs/dbraw/zinc/62/27/98/947622798.db2.gz	YQWBEQQLCRYOOS-ZNMIVQPWSA-N	0	1	398.471	0.710	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000826383393	948182845	/nfs/dbraw/zinc/18/28/45/948182845.db2.gz	YOBNVEYNESOREU-UHFFFAOYSA-N	0	1	377.412	0.279	20	30		GCEDMN
C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576184011	950109739	/nfs/dbraw/zinc/10/97/39/950109739.db2.gz	VCDHZSXYLHAZDT-BXUZGUMPSA-N	0	1	392.427	0.631	20	30		GCEDMN
CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1c[nH]c(C#N)c1	ZINC001574157549	950240287	/nfs/dbraw/zinc/24/02/87/950240287.db2.gz	CSRKOFOORCLCDI-CYBMUJFWSA-N	0	1	380.416	0.535	20	30		GCEDMN
CC(C)(C)OC(=O)N[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[C@H]1F	ZINC001573862659	950473250	/nfs/dbraw/zinc/47/32/50/950473250.db2.gz	ZZPAJUXQAVRFMH-MWLCHTKSSA-N	0	1	389.395	0.970	20	30		GCEDMN
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001571124580	952541189	/nfs/dbraw/zinc/54/11/89/952541189.db2.gz	NQXZLGWYOCYQQP-DGCLKSJQSA-N	0	1	377.412	0.704	20	30		GCEDMN
CCS(=O)(=O)N1CCC(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1	ZINC001571128163	952564760	/nfs/dbraw/zinc/56/47/60/952564760.db2.gz	PNOCQEJVUZBODU-UHFFFAOYSA-N	0	1	377.434	0.002	20	30		GCEDMN
C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001571135799	952609243	/nfs/dbraw/zinc/60/92/43/952609243.db2.gz	DXWIOAUZUVUICO-JQWIXIFHSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001571136438	952614096	/nfs/dbraw/zinc/61/40/96/952614096.db2.gz	QIIFOEINLVJIPY-PWSUYJOCSA-N	0	1	378.400	0.099	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1	ZINC001571179891	952855795	/nfs/dbraw/zinc/85/57/95/952855795.db2.gz	JLSWWJAEIWJSKG-JSGCOSHPSA-N	0	1	381.444	0.881	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1	ZINC001571179893	952856598	/nfs/dbraw/zinc/85/65/98/952856598.db2.gz	JLSWWJAEIWJSKG-TZMCWYRMSA-N	0	1	381.444	0.881	20	30		GCEDMN
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@]2(C(=O)[O-])CCOC2)CC1	ZINC001594600906	956127813	/nfs/dbraw/zinc/12/78/13/956127813.db2.gz	COPTUWACTBEDLW-VQIMIIECSA-N	0	1	390.415	0.368	20	30		GCEDMN
N#Cc1ccc(CNC(=O)C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1	ZINC001594620573	956277592	/nfs/dbraw/zinc/27/75/92/956277592.db2.gz	MPTSHLGQNOYORB-MRXNPFEDSA-N	0	1	384.436	0.572	20	30		GCEDMN
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001348479407	962439749	/nfs/dbraw/zinc/43/97/49/962439749.db2.gz	BCGRCGCZACTYJV-IBGZPJMESA-N	0	1	389.408	0.334	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](C[C@H](O)COc1ccccc1C#N)C[C@H]2C(=O)[O-]	ZINC001604289918	972887114	/nfs/dbraw/zinc/88/71/14/972887114.db2.gz	AQHBLRWESIJMIZ-FZTQNYJHSA-N	0	1	388.420	0.884	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)CC2)o1	ZINC001605398204	973380325	/nfs/dbraw/zinc/38/03/25/973380325.db2.gz	DSDOKQVQAQNJED-OCCSQVGLSA-N	0	1	375.429	0.546	20	30		GCEDMN
Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)cn1	ZINC001605488205	973615691	/nfs/dbraw/zinc/61/56/91/973615691.db2.gz	FUAKHSKYBXMVIC-HLLBOEOZSA-N	0	1	376.457	0.982	20	30		GCEDMN
CC[C@](COC)([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(=O)[O-]	ZINC001595194454	979900245	/nfs/dbraw/zinc/90/02/45/979900245.db2.gz	GAHBPXSQUMUKMQ-RDTXWAMCSA-N	0	1	394.497	0.926	20	30		GCEDMN
C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588909818	984545756	/nfs/dbraw/zinc/54/57/56/984545756.db2.gz	AZBBHLGMEHOWFW-MGPQQGTHSA-N	0	1	377.445	0.583	20	30		GCEDMN
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588910464	984549915	/nfs/dbraw/zinc/54/99/15/984549915.db2.gz	ZETQAKUGRALHMH-XGUBFFRZSA-N	0	1	377.445	0.678	20	30		GCEDMN
C=CCn1ncc2ccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H](C(=O)[O-])C3)cc21	ZINC001588913070	984554081	/nfs/dbraw/zinc/55/40/81/984554081.db2.gz	WIUFGYQYSSVILT-CQSZACIVSA-N	0	1	385.424	0.636	20	30		GCEDMN
C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001598586538	993392054	/nfs/dbraw/zinc/39/20/54/993392054.db2.gz	RVIJPPBOPDDFAN-UZLBHIALSA-N	0	1	396.451	0.794	20	30		GCEDMN
C[N@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C(=O)[O-])C1	ZINC001598603158	993597224	/nfs/dbraw/zinc/59/72/24/993597224.db2.gz	BENCTYSKGOWYTQ-CYBMUJFWSA-N	0	1	375.429	0.528	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC001598767799	995852757	/nfs/dbraw/zinc/85/27/57/995852757.db2.gz	YRFWJIIQOYVAKT-NCOADZHNSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC001598767799	995852760	/nfs/dbraw/zinc/85/27/60/995852760.db2.gz	YRFWJIIQOYVAKT-NCOADZHNSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786030	996030440	/nfs/dbraw/zinc/03/04/40/996030440.db2.gz	XPHUXOLPPKPZBZ-DOMZBBRYSA-N	0	1	384.392	0.758	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786030	996030445	/nfs/dbraw/zinc/03/04/45/996030445.db2.gz	XPHUXOLPPKPZBZ-DOMZBBRYSA-N	0	1	384.392	0.758	20	30		GCEDMN
O=C(NCCS(=O)(=O)N1CCSCC1)N1CCN(CC2CC2)CC1	ZINC000328661214	530154113	/nfs/dbraw/zinc/15/41/13/530154113.db2.gz	WPMKRCUFCLGPKD-UHFFFAOYSA-N	0	1	376.548	0.307	20	30		GCEDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N	ZINC000518396454	530227974	/nfs/dbraw/zinc/22/79/74/530227974.db2.gz	FVCHXFAKHNULME-CYBMUJFWSA-N	0	1	386.499	0.251	20	30		GCEDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000569355763	530228400	/nfs/dbraw/zinc/22/84/00/530228400.db2.gz	YESPRZKZNNQBDY-ZDUSSCGKSA-N	0	1	386.499	0.251	20	30		GCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)C#N)c1	ZINC000594633024	530435056	/nfs/dbraw/zinc/43/50/56/530435056.db2.gz	ZIWOARREDLQASZ-LBPRGKRZSA-N	0	1	388.515	0.495	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572319495	530511883	/nfs/dbraw/zinc/51/18/83/530511883.db2.gz	XGNCNXCBJPFVSC-KBPBESRZSA-N	0	1	386.499	0.177	20	30		GCEDMN
CC(C)CN1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1	ZINC000328659591	530517295	/nfs/dbraw/zinc/51/72/95/530517295.db2.gz	TUVMZSUKJWJJNA-UHFFFAOYSA-N	0	1	378.564	0.553	20	30		GCEDMN
CC[C@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCN1CCOC	ZINC000330821250	530525426	/nfs/dbraw/zinc/52/54/26/530525426.db2.gz	FUTHCVQCLMJEQX-HNNXBMFYSA-N	0	1	376.523	0.367	20	30		GCEDMN
CC[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCN1CCOC	ZINC000330821254	530525459	/nfs/dbraw/zinc/52/54/59/530525459.db2.gz	FUTHCVQCLMJEQX-OAHLLOKOSA-N	0	1	376.523	0.367	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000451610618	530584998	/nfs/dbraw/zinc/58/49/98/530584998.db2.gz	HBZRNGSUABQANL-KGLIPLIRSA-N	0	1	388.511	0.644	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C(C)C)[nH]n1	ZINC000349458734	530638522	/nfs/dbraw/zinc/63/85/22/530638522.db2.gz	MGNZOYINIDBIMF-UHFFFAOYSA-N	0	1	376.504	0.950	20	30		GCEDMN
N#CCc1ccc(OC[C@H](O)CNCc2ccc(S(N)(=O)=O)s2)cc1	ZINC000577215642	530618083	/nfs/dbraw/zinc/61/80/83/530618083.db2.gz	FCLBBJYDQYKABD-CYBMUJFWSA-N	0	1	381.479	0.991	20	30		GCEDMN
CC[C@@H]1CN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCN1CCOC	ZINC000329677935	530618999	/nfs/dbraw/zinc/61/89/99/530618999.db2.gz	WUQKBACHNKDLMY-LSDHHAIUSA-N	0	1	376.523	0.367	20	30		GCEDMN
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)C1	ZINC000329702550	530619643	/nfs/dbraw/zinc/61/96/43/530619643.db2.gz	HXJHPBJYPHKGOL-DGCLKSJQSA-N	0	1	375.882	0.979	20	30		GCEDMN
CC[C@@H]1CN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCN1C[C@H](C)O	ZINC000329763736	530620841	/nfs/dbraw/zinc/62/08/41/530620841.db2.gz	UWTGJBRLIDUOLH-RRFJBIMHSA-N	0	1	376.523	0.101	20	30		GCEDMN
CC[C@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N	ZINC000349476582	530647294	/nfs/dbraw/zinc/64/72/94/530647294.db2.gz	HNHJOKHCVFTDCV-GJZGRUSLSA-N	0	1	394.563	0.296	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)c(F)c1	ZINC000268151084	530679934	/nfs/dbraw/zinc/67/99/34/530679934.db2.gz	HEFXRBSJFJDJHW-UHFFFAOYSA-N	0	1	393.437	0.834	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)ccn1	ZINC000349600130	530713984	/nfs/dbraw/zinc/71/39/84/530713984.db2.gz	CHAPUDZGINDOSU-UHFFFAOYSA-N	0	1	386.499	0.509	20	30		GCEDMN
COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000485939485	530747216	/nfs/dbraw/zinc/74/72/16/530747216.db2.gz	XZEVAQZNKYGKQJ-ZIAGYGMSSA-N	0	1	376.381	0.935	20	30		GCEDMN
CCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1	ZINC000581953928	530769306	/nfs/dbraw/zinc/76/93/06/530769306.db2.gz	CWJIZTVRCUVIIV-CYBMUJFWSA-N	0	1	388.515	0.449	20	30		GCEDMN
N#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c1Br	ZINC000600099370	530821372	/nfs/dbraw/zinc/82/13/72/530821372.db2.gz	NIDKUVXUHOXXGP-NSHDSACASA-N	0	1	381.230	0.442	20	30		GCEDMN
N#Cc1cc(NS(=O)(=O)CCCS(N)(=O)=O)ncc1Br	ZINC000349449531	530873412	/nfs/dbraw/zinc/87/34/12/530873412.db2.gz	LCGQICFPEYCDEC-UHFFFAOYSA-N	0	1	383.249	0.136	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C2CC2)nn1	ZINC000349454438	530873885	/nfs/dbraw/zinc/87/38/85/530873885.db2.gz	GRUFDVGQLLZXCQ-UHFFFAOYSA-N	0	1	386.499	0.771	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)c1C	ZINC000349602278	530910073	/nfs/dbraw/zinc/91/00/73/530910073.db2.gz	QDIQEYZSPXYFGC-UHFFFAOYSA-N	0	1	375.476	0.334	20	30		GCEDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N	ZINC000349478354	530876616	/nfs/dbraw/zinc/87/66/16/530876616.db2.gz	GQYPDTURWCPJDL-ZDUSSCGKSA-N	0	1	386.499	0.203	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C	ZINC000349505277	530884149	/nfs/dbraw/zinc/88/41/49/530884149.db2.gz	NICNJVBGOYTMDU-LBPRGKRZSA-N	0	1	389.503	0.721	20	30		GCEDMN
CSc1c[nH]nc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1	ZINC000349505787	530884844	/nfs/dbraw/zinc/88/48/44/530884844.db2.gz	SHEHLZIPHGEIHM-UHFFFAOYSA-N	0	1	379.489	0.049	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N(C)C1CC1	ZINC000349523703	530887393	/nfs/dbraw/zinc/88/73/93/530887393.db2.gz	YVNVOUQDMSPPLC-UHFFFAOYSA-N	0	1	375.476	0.330	20	30		GCEDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N	ZINC000349470335	530891230	/nfs/dbraw/zinc/89/12/30/530891230.db2.gz	MBXUIYJEPMGJQR-UHFFFAOYSA-N	0	1	386.499	0.205	20	30		GCEDMN
CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000269889027	530978990	/nfs/dbraw/zinc/97/89/90/530978990.db2.gz	VIAQIGCVKHESDD-SECBINFHSA-N	0	1	379.410	0.396	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000662163465	531018705	/nfs/dbraw/zinc/01/87/05/531018705.db2.gz	CEJGFFDOLITSAS-LLVKDONJSA-N	0	1	393.918	0.371	20	30		GCEDMN
C#CCNC(=O)CN1CCCN(C(=O)CSc2n[nH]c(=S)s2)CC1	ZINC000266978242	531004291	/nfs/dbraw/zinc/00/42/91/531004291.db2.gz	DUOKSIIHNLBRLZ-UHFFFAOYSA-N	0	1	385.540	0.203	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000349461561	531050475	/nfs/dbraw/zinc/05/04/75/531050475.db2.gz	QYYRIYBUNFNVKQ-UHFFFAOYSA-N	0	1	384.483	0.751	20	30		GCEDMN
CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCN(C)C)cc1	ZINC000565228239	531180857	/nfs/dbraw/zinc/18/08/57/531180857.db2.gz	DZTJYLHZDSVHOY-UHFFFAOYSA-N	0	1	388.515	0.403	20	30		GCEDMN
C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1)N(C)C	ZINC000565490215	531186209	/nfs/dbraw/zinc/18/62/09/531186209.db2.gz	INSLJGGNTVIMMD-LBPRGKRZSA-N	0	1	388.515	0.495	20	30		GCEDMN
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499689	601664477	/nfs/dbraw/zinc/66/44/77/601664477.db2.gz	FSHAPYQYRMTYJY-ZBFHGGJFSA-N	0	1	397.435	0.997	20	30		GCEDMN
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000828499689	601664479	/nfs/dbraw/zinc/66/44/79/601664479.db2.gz	FSHAPYQYRMTYJY-ZBFHGGJFSA-N	0	1	397.435	0.997	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)cc1	ZINC000833376726	605203620	/nfs/dbraw/zinc/20/36/20/605203620.db2.gz	QOWBYDNJTDKNAB-AWEZNQCLSA-N	0	1	395.481	0.772	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc1	ZINC000833376404	605254853	/nfs/dbraw/zinc/25/48/53/605254853.db2.gz	DKQVRLQOYJXICB-AWEZNQCLSA-N	0	1	395.481	0.772	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1	ZINC000819701780	606830858	/nfs/dbraw/zinc/83/08/58/606830858.db2.gz	MQKZYACQODVADI-AWEZNQCLSA-N	0	1	395.471	0.039	20	30		GCEDMN
O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000823126693	607221733	/nfs/dbraw/zinc/22/17/33/607221733.db2.gz	LNRFUXIYGHQZRS-UHFFFAOYSA-N	0	1	376.302	0.645	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1	ZINC000825937993	608034569	/nfs/dbraw/zinc/03/45/69/608034569.db2.gz	LVXAYOZCUNQMKX-UHFFFAOYSA-N	0	1	394.443	0.224	20	30		GCEDMN
CN(CCC#N)C(=O)CCN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC000825914532	608088340	/nfs/dbraw/zinc/08/83/40/608088340.db2.gz	IUIZVQCFJCUIHN-UHFFFAOYSA-N	0	1	386.435	0.890	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCC(=O)ONC(=N)c1cccs1	ZINC000826382779	609176786	/nfs/dbraw/zinc/17/67/86/609176786.db2.gz	UOCPDOMXQSGKKY-UHFFFAOYSA-N	0	1	386.401	0.222	20	30		GCEDMN
CCN(CCO)CCNS(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000907129860	639359011	/nfs/dbraw/zinc/35/90/11/639359011.db2.gz	ZIZKBLPORPWWLS-UHFFFAOYSA-N	0	1	376.276	0.913	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)c2cccc(Br)c2O)CC1	ZINC000730284818	639643677	/nfs/dbraw/zinc/64/36/77/639643677.db2.gz	RFIGNEGDMSWSKJ-UHFFFAOYSA-N	0	1	380.242	0.662	20	30		GCEDMN
CON(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000751267868	640379112	/nfs/dbraw/zinc/37/91/12/640379112.db2.gz	NGWBOVPKBUDWBG-UHFFFAOYSA-N	0	1	382.423	0.936	20	30		GCEDMN
COc1ccc(Cl)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771892888	640835390	/nfs/dbraw/zinc/83/53/90/640835390.db2.gz	VQUIRBXORVOINA-UHFFFAOYSA-N	0	1	386.817	0.058	20	30		GCEDMN
C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)c2cccc(Br)c2)CC1	ZINC000876715232	641568924	/nfs/dbraw/zinc/56/89/24/641568924.db2.gz	IIBZRTMIIVTJCL-INIZCTEOSA-N	0	1	395.301	0.895	20	30		GCEDMN
C=CCNC(=O)CN1CCN(C(=O)[C@H](N)c2cccc(Br)c2)CC1	ZINC000876715233	641569171	/nfs/dbraw/zinc/56/91/71/641569171.db2.gz	IIBZRTMIIVTJCL-MRXNPFEDSA-N	0	1	395.301	0.895	20	30		GCEDMN
COC(=O)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cc(F)ccc1F	ZINC000800044197	641765363	/nfs/dbraw/zinc/76/53/63/641765363.db2.gz	WZOYPASGWRALOO-GXFFZTMASA-N	0	1	375.353	0.238	20	30		GCEDMN
NS(=O)(=O)c1ccc(NN=Cc2ccc(Cl)c(S(N)(=O)=O)c2)nc1	ZINC000814799157	641813558	/nfs/dbraw/zinc/81/35/58/641813558.db2.gz	YERYWXPDCATRPA-UHFFFAOYSA-N	0	1	389.846	0.476	20	30		GCEDMN
N#Cc1c(Cl)nsc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC001041421242	642074965	/nfs/dbraw/zinc/07/49/65/642074965.db2.gz	ISYSBMXRNYARSM-GAJNKVMBSA-N	0	1	378.845	0.861	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br	ZINC000834488562	642213350	/nfs/dbraw/zinc/21/33/50/642213350.db2.gz	DNGNVPGXJZFXII-TVQRCGJNSA-N	0	1	383.221	0.936	20	30		GCEDMN
Cc1c(C(=O)N[C@H]2CNC[C@@H]2C#N)cc(Br)cc1S(N)(=O)=O	ZINC000834501177	642214036	/nfs/dbraw/zinc/21/40/36/642214036.db2.gz	ZZHOXZNCANDNBM-KWQFWETISA-N	0	1	387.259	0.246	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000834517269	642214528	/nfs/dbraw/zinc/21/45/28/642214528.db2.gz	SZXJWZCFNLSKCX-ABAIWWIYSA-N	0	1	382.873	0.966	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1	ZINC000841258391	642292985	/nfs/dbraw/zinc/29/29/85/642292985.db2.gz	LARFQYMEKOVCSC-JQWIXIFHSA-N	0	1	395.261	0.914	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1	ZINC000841258393	642293014	/nfs/dbraw/zinc/29/30/14/642293014.db2.gz	LARFQYMEKOVCSC-ZYHUDNBSSA-N	0	1	395.261	0.914	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000843459795	642370036	/nfs/dbraw/zinc/37/00/36/642370036.db2.gz	IHICMHHFNFEBNO-QPUJVOFHSA-N	0	1	377.253	0.499	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000843459436	642370260	/nfs/dbraw/zinc/37/02/60/642370260.db2.gz	FCAPNTAHTABXCN-GXTWGEPZSA-N	0	1	382.511	0.693	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1	ZINC000843461856	642370966	/nfs/dbraw/zinc/37/09/66/642370966.db2.gz	NSGDMXIDKVFMTA-YPMHNXCESA-N	0	1	386.271	0.592	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]cc1SC	ZINC000848960804	642583048	/nfs/dbraw/zinc/58/30/48/642583048.db2.gz	JFGMDBSOGDVORM-JTQLQIEISA-N	0	1	380.517	0.547	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C2CC2)nn1	ZINC000848960745	642583148	/nfs/dbraw/zinc/58/31/48/642583148.db2.gz	HVPDQNWXTKLCQR-GFCCVEGCSA-N	0	1	386.499	0.769	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1	ZINC000848962051	642587887	/nfs/dbraw/zinc/58/78/87/642587887.db2.gz	WTYKLIPJXGWPSY-UHFFFAOYSA-N	0	1	376.504	0.734	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1	ZINC000848965372	642603064	/nfs/dbraw/zinc/60/30/64/642603064.db2.gz	NMOUIQSWEZNHKW-AAEUAGOBSA-N	0	1	390.487	0.334	20	30		GCEDMN
C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848966044	642604738	/nfs/dbraw/zinc/60/47/38/642604738.db2.gz	CMYKUIRMNXNWHK-VIFPVBQESA-N	0	1	381.867	0.483	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC(=O)NC(N)=O)C1	ZINC001211676096	1192203302	/nfs/dbraw/zinc/20/33/02/1192203302.db2.gz	COCNRMGXDDOCAK-TWMKSMIVSA-N	0	1	386.452	0.357	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccn[nH]1	ZINC000278859343	1192260342	/nfs/dbraw/zinc/26/03/42/1192260342.db2.gz	XARMMJQIFHTSQZ-AWWBSFMVSA-N	0	1	390.396	0.852	20	30		GCEDMN
Cn1cc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1C(N)=O	ZINC000106241272	1192361437	/nfs/dbraw/zinc/36/14/37/1192361437.db2.gz	RAEBVOFZNCUMLH-UHFFFAOYSA-N	0	1	385.409	0.564	20	30		GCEDMN
N#CCN1CCC(NC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)CC1	ZINC000585729578	1192400431	/nfs/dbraw/zinc/40/04/31/1192400431.db2.gz	ZRSXPABRHIEMJI-UHFFFAOYSA-N	0	1	393.557	0.568	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccn[nH]1	ZINC000278989933	1192429857	/nfs/dbraw/zinc/42/98/57/1192429857.db2.gz	DXYQWHLENMOOEI-HMMYKYKNSA-N	0	1	394.409	0.736	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC[C@H]1C(=O)Nc2ccccc21)c1ccn[nH]1	ZINC000279063155	1192451946	/nfs/dbraw/zinc/45/19/46/1192451946.db2.gz	NNJKNCBRJBUMHT-MDLWCUQPSA-N	0	1	399.407	0.936	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC[C@@H]1C(=O)Nc2ccccc21)c1ccn[nH]1	ZINC000279063152	1192451966	/nfs/dbraw/zinc/45/19/66/1192451966.db2.gz	NNJKNCBRJBUMHT-GEWUGYKTSA-N	0	1	399.407	0.936	20	30		GCEDMN
CN1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000609492728	1192506930	/nfs/dbraw/zinc/50/69/30/1192506930.db2.gz	PRGHUXKYYUOGLR-QGZVFWFLSA-N	0	1	376.482	0.875	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CCCO)Cc1ccccn1)c1cc[nH]n1	ZINC000279911605	1192631870	/nfs/dbraw/zinc/63/18/70/1192631870.db2.gz	BGSSTCGESPDEPJ-OQKWZONESA-N	0	1	389.412	0.500	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)N1	ZINC000418908187	1192686242	/nfs/dbraw/zinc/68/62/42/1192686242.db2.gz	MKLUTUGRSYFRKO-CPUCHLNUSA-N	0	1	383.452	0.379	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)CN1	ZINC000418914643	1192687782	/nfs/dbraw/zinc/68/77/82/1192687782.db2.gz	UDDQWYYISDPGPB-CKEIUWERSA-N	0	1	383.452	0.379	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000418961306	1192702718	/nfs/dbraw/zinc/70/27/18/1192702718.db2.gz	JNPHFHFJWAIMNL-ZWKOTPCHSA-N	0	1	397.479	0.376	20	30		GCEDMN
COC(=O)c1cc(NS(=O)(=O)c2ccc(C#N)nc2)cc(S(C)(=O)=O)c1	ZINC000467925594	1192760112	/nfs/dbraw/zinc/76/01/12/1192760112.db2.gz	DCASRNCODMPAFU-UHFFFAOYSA-N	0	1	395.418	0.944	20	30		GCEDMN
CN1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1	ZINC000429797803	1192854708	/nfs/dbraw/zinc/85/47/08/1192854708.db2.gz	DJRJZTCPMQNPKL-UHFFFAOYSA-N	0	1	386.843	1.500	20	30		GCEDMN
C=CCc1ccc(OC[C@H](O)CN2CCN(C(=O)CN(C)C)CC2)c(OC)c1	ZINC000051762468	1192909168	/nfs/dbraw/zinc/90/91/68/1192909168.db2.gz	USIAKBDLPRVBFD-GOSISDBHSA-N	0	1	391.512	0.869	20	30		GCEDMN
C[C@@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nn[nH]n1	ZINC000274737114	1184234954	/nfs/dbraw/zinc/23/49/54/1184234954.db2.gz	DUSNIIKWFCAPOA-QWRGUYRKSA-N	0	1	377.430	0.000	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)CC1	ZINC000728210695	1184375150	/nfs/dbraw/zinc/37/51/50/1184375150.db2.gz	LSIKXYDZIONVIP-CYBMUJFWSA-N	0	1	381.436	0.669	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1	ZINC000970075662	1184510806	/nfs/dbraw/zinc/51/08/06/1184510806.db2.gz	RAGQEOQSXVBGKY-DMUMMCEESA-N	0	1	393.528	0.778	20	30		GCEDMN
C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000246904455	1184518125	/nfs/dbraw/zinc/51/81/25/1184518125.db2.gz	MLTUXWNQAQJHMV-MOPGFXCFSA-N	0	1	381.480	0.902	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000430398983	1184657354	/nfs/dbraw/zinc/65/73/54/1184657354.db2.gz	DZAPKMYEKGZWEI-BQFCYCMXSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1	ZINC000430398987	1184657421	/nfs/dbraw/zinc/65/74/21/1184657421.db2.gz	DZAPKMYEKGZWEI-NUJGCVRESA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000430402621	1184660711	/nfs/dbraw/zinc/66/07/11/1184660711.db2.gz	MTQNWXABTGVCFM-XYJFISCASA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCCN3CCCC3=O)C[C@@H]21	ZINC001083198505	1184668737	/nfs/dbraw/zinc/66/87/37/1184668737.db2.gz	YSNOJXIYFXLWGA-VSZNYVQBSA-N	0	1	377.485	0.502	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCN(CC)CC2)C1	ZINC000430411427	1184684361	/nfs/dbraw/zinc/68/43/61/1184684361.db2.gz	FKYRUVZDLKWCAL-SQNIBIBYSA-N	0	1	378.517	0.322	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]c2C(F)(F)F)C[C@@H]1O	ZINC000970711461	1184980421	/nfs/dbraw/zinc/98/04/21/1184980421.db2.gz	GGQVGVBPEZQFBY-ZNSHCXBVSA-N	0	1	388.346	0.321	20	30		GCEDMN
COc1ccc(C[N@H+]2CCCN(C(=O)Cn3c(=O)[n-]cc(C#N)c3=O)CC2)cc1	ZINC000580193410	1185112072	/nfs/dbraw/zinc/11/20/72/1185112072.db2.gz	ARKCKFNZKDRRST-UHFFFAOYSA-N	0	1	397.435	0.151	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@H]32)CC1	ZINC001021886576	1185660970	/nfs/dbraw/zinc/66/09/70/1185660970.db2.gz	GEBLGTCIBASQOM-KANFNMMFSA-N	0	1	389.496	0.195	20	30		GCEDMN
C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)[C@@H]3C2)nn1	ZINC001022013596	1185762793	/nfs/dbraw/zinc/76/27/93/1185762793.db2.gz	FHPCBISCOSVDQK-ZOMKSWQUSA-N	0	1	381.440	0.664	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@](C)(O)c1cc(C)oc1C)c1ccn[nH]1	ZINC000276518866	1185858639	/nfs/dbraw/zinc/85/86/39/1185858639.db2.gz	CFTBVJVNVVNPRX-IPEVAPCJSA-N	0	1	392.412	0.927	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F)c1cc[nH]n1	ZINC000276544461	1185882443	/nfs/dbraw/zinc/88/24/43/1185882443.db2.gz	GRYMIEJJDLVOIT-MAFMBJETSA-N	0	1	392.334	0.608	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@](C)(O)c1ccsc1)c1ccn[nH]1	ZINC000276559634	1185900074	/nfs/dbraw/zinc/90/00/74/1185900074.db2.gz	IWNVNPKUBSCPLQ-ZGPWBKFBSA-N	0	1	380.426	0.779	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nc2ccccc2n1C)c1ccn[nH]1	ZINC000276596690	1185920355	/nfs/dbraw/zinc/92/03/55/1185920355.db2.gz	NTIXZGVUGRMFLU-HAVVHWLPSA-N	0	1	384.396	0.897	20	30		GCEDMN
CCCNC(=O)C1CCN(C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)CC1	ZINC000276630742	1185931358	/nfs/dbraw/zinc/93/13/58/1185931358.db2.gz	SOHIMQMRFBCQMW-CJLVFECKSA-N	0	1	393.444	0.458	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1cc[nH]n1	ZINC000276695221	1185972526	/nfs/dbraw/zinc/97/25/26/1185972526.db2.gz	QMCNOJQPGJAQDQ-JUVXEETASA-N	0	1	395.460	0.309	20	30		GCEDMN
CC[C@@]1(CO)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000187621955	1185994045	/nfs/dbraw/zinc/99/40/45/1185994045.db2.gz	HKDXFIPJTDTBFB-LJQANCHMSA-N	0	1	375.473	0.988	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000276953665	1186172032	/nfs/dbraw/zinc/17/20/32/1186172032.db2.gz	WHCVTMOXNINIQP-JTDSTZFVSA-N	0	1	399.495	0.756	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](C(=O)NCC3CC3)C2)CC1	ZINC000092617484	1186174036	/nfs/dbraw/zinc/17/40/36/1186174036.db2.gz	JJZKFXYKKIWVJG-OALUTQOASA-N	0	1	389.544	0.917	20	30		GCEDMN
CS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000610967911	1186267371	/nfs/dbraw/zinc/26/73/71/1186267371.db2.gz	XFEKAMBOKPGRJZ-IAGOWNOFSA-N	0	1	381.498	0.754	20	30		GCEDMN
CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000610967910	1186267697	/nfs/dbraw/zinc/26/76/97/1186267697.db2.gz	XFEKAMBOKPGRJZ-DLBZAZTESA-N	0	1	381.498	0.754	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nnc2n1CCCCC2)c1ccn[nH]1	ZINC000277752933	1186589175	/nfs/dbraw/zinc/58/91/75/1186589175.db2.gz	COCJDYXQKNVCJY-XQNSMLJCSA-N	0	1	389.416	0.328	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000582932351	1186731826	/nfs/dbraw/zinc/73/18/26/1186731826.db2.gz	BPNXUHRYHIZDKN-AWEZNQCLSA-N	0	1	387.488	0.388	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)Cc1nc([C@@H](C)OC)no1)c1cc[nH]n1	ZINC000278064645	1186765027	/nfs/dbraw/zinc/76/50/27/1186765027.db2.gz	VEOBMJZONBUULX-AGYNKUJHSA-N	0	1	394.388	0.443	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)c1nnc2n1CCC2)c1ccn[nH]1	ZINC000278131070	1186794497	/nfs/dbraw/zinc/79/44/97/1186794497.db2.gz	MMGQWHLOCLEUCZ-CONVLBPTSA-N	0	1	375.389	0.109	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1	ZINC000583250724	1186807563	/nfs/dbraw/zinc/80/75/63/1186807563.db2.gz	SDYVFHMUQWFEGR-SJLPKXTDSA-N	0	1	379.530	0.901	20	30		GCEDMN
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1	ZINC000583250725	1186807856	/nfs/dbraw/zinc/80/78/56/1186807856.db2.gz	SDYVFHMUQWFEGR-WMZOPIPTSA-N	0	1	379.530	0.901	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1	ZINC000329138130	1186862435	/nfs/dbraw/zinc/86/24/35/1186862435.db2.gz	IBPFLVXROIGKDX-CQSZACIVSA-N	0	1	389.456	0.294	20	30		GCEDMN
C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)C(=O)OC	ZINC000583537224	1186881595	/nfs/dbraw/zinc/88/15/95/1186881595.db2.gz	YYDYCTONQVWURU-LBPRGKRZSA-N	0	1	392.380	0.104	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1	ZINC000329423324	1186936129	/nfs/dbraw/zinc/93/61/29/1186936129.db2.gz	FZPSGQLCBDKZOI-SFHVURJKSA-N	0	1	394.564	0.166	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)CCC(=O)OC(C)(C)C)c1cc[nH]n1	ZINC000278420295	1186938525	/nfs/dbraw/zinc/93/85/25/1186938525.db2.gz	CGCFZKOSAUJDTG-HMMYKYKNSA-N	0	1	382.417	0.884	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@]1(O)CCc2ccccc21)c1ccn[nH]1	ZINC000278471613	1186955160	/nfs/dbraw/zinc/95/51/60/1186955160.db2.gz	IIRAAKMNQUGYCU-SNAUHIFDSA-N	0	1	386.408	0.644	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccn[nH]1	ZINC000278495003	1186960344	/nfs/dbraw/zinc/96/03/44/1186960344.db2.gz	KEGHJNSFEYCNFD-KEPQNVRDSA-N	0	1	396.469	0.864	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CO)Cc1ccc(F)cc1)c1ccn[nH]1	ZINC000278609596	1186993204	/nfs/dbraw/zinc/99/32/04/1186993204.db2.gz	LGYGGFVKCCDPHY-IHLBYEDJSA-N	0	1	392.387	0.552	20	30		GCEDMN
COc1cc(C#N)ccc1OCC(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1	ZINC000584194218	1187013493	/nfs/dbraw/zinc/01/34/93/1187013493.db2.gz	YIHRXQKCNAGRAM-INIZCTEOSA-N	0	1	386.452	0.757	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc([C@H](C)O)c(C)n1)c1ccn[nH]1	ZINC000278677626	1187016234	/nfs/dbraw/zinc/01/62/34/1187016234.db2.gz	OXDHMYRKTPLWSY-QLDUDCQJSA-N	0	1	389.412	0.767	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)C2)CC1	ZINC001023960689	1187194174	/nfs/dbraw/zinc/19/41/74/1187194174.db2.gz	SJFPYQYQYPSHCB-MKXGPGLRSA-N	0	1	389.496	0.001	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1O	ZINC001023960606	1187194246	/nfs/dbraw/zinc/19/42/46/1187194246.db2.gz	PZMMLXFDJXPYJY-PILAGYSTSA-N	0	1	384.436	0.846	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ncc1C#N	ZINC000580568395	1187691758	/nfs/dbraw/zinc/69/17/58/1187691758.db2.gz	FILSPPREMYWOJP-MSOLQXFVSA-N	0	1	393.447	0.952	20	30		GCEDMN
C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414221420	1187771711	/nfs/dbraw/zinc/77/17/11/1187771711.db2.gz	KVTIRWIQYWNLSC-JTQLQIEISA-N	0	1	395.416	0.888	20	30		GCEDMN
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1	ZINC000415322166	1188037433	/nfs/dbraw/zinc/03/74/33/1188037433.db2.gz	BPISFGVGGNPCTE-INIZCTEOSA-N	0	1	383.452	0.476	20	30		GCEDMN
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000415335695	1188051018	/nfs/dbraw/zinc/05/10/18/1188051018.db2.gz	SHFZZHHZOUCWDJ-OAHLLOKOSA-N	0	1	399.451	0.176	20	30		GCEDMN
C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1	ZINC000549297192	1188097785	/nfs/dbraw/zinc/09/77/85/1188097785.db2.gz	PQUQZFMZKBKQFH-CQSZACIVSA-N	0	1	382.534	0.996	20	30		GCEDMN
N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)n1	ZINC000377946168	1189382310	/nfs/dbraw/zinc/38/23/10/1189382310.db2.gz	SGQONTOEDSAKGG-AWEZNQCLSA-N	0	1	377.408	0.550	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)c1C#N	ZINC000290672428	1189432214	/nfs/dbraw/zinc/43/22/14/1189432214.db2.gz	HGNGQGVSHMQCGJ-AWEZNQCLSA-N	0	1	377.518	0.401	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCc2ccccc2[C@@H]1CO)c1cc[nH]n1	ZINC000278834156	1189768886	/nfs/dbraw/zinc/76/88/86/1189768886.db2.gz	VMBUKVNVGNZPIU-NLFAIWHDSA-N	0	1	386.408	0.812	20	30		GCEDMN
N#Cc1ccc([C@H](NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C(N)=O)cc1	ZINC000126207969	1193755292	/nfs/dbraw/zinc/75/52/92/1193755292.db2.gz	WKCXBVOGRDJEOX-ZDUSSCGKSA-N	0	1	390.387	0.988	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)C1=O	ZINC000513241108	1193927292	/nfs/dbraw/zinc/92/72/92/1193927292.db2.gz	PUXCZYMNMAZRRQ-AWEZNQCLSA-N	0	1	388.424	0.818	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(NC(C)=O)nc1)c1ccn[nH]1	ZINC000280075486	1193975851	/nfs/dbraw/zinc/97/58/51/1193975851.db2.gz	JZWYXVLQXULWJW-XQNSMLJCSA-N	0	1	388.384	0.363	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCN1	ZINC000419737845	1194099514	/nfs/dbraw/zinc/09/95/14/1194099514.db2.gz	VBGHNBWBQQERBZ-UHFFFAOYSA-N	0	1	385.468	0.970	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)N1	ZINC000423229140	1194742068	/nfs/dbraw/zinc/74/20/68/1194742068.db2.gz	GMCPTRPLQRDDLB-GJZGRUSLSA-N	0	1	397.479	0.944	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CCN1	ZINC000423560749	1194764022	/nfs/dbraw/zinc/76/40/22/1194764022.db2.gz	LMEVFTXYROGXCP-ZUOKHONESA-N	0	1	381.436	0.069	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H](C)CN1	ZINC000423642538	1194776951	/nfs/dbraw/zinc/77/69/51/1194776951.db2.gz	XDEBSYRQXDDZQB-GJZGRUSLSA-N	0	1	397.479	0.944	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)[C@H](C)CN1	ZINC000423655433	1194779947	/nfs/dbraw/zinc/77/99/47/1194779947.db2.gz	SHWQCUWDMKHPOS-CWMDILNDSA-N	0	1	381.436	0.067	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3CCNC(C)(C)C3)CC2)c1C#N	ZINC000423708515	1194787010	/nfs/dbraw/zinc/78/70/10/1194787010.db2.gz	GZVSAUCSUMHSBK-UHFFFAOYSA-N	0	1	376.486	0.182	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000423746843	1194791614	/nfs/dbraw/zinc/79/16/14/1194791614.db2.gz	PQWRDWQATJGJFS-OALUTQOASA-N	0	1	383.496	0.823	20	30		GCEDMN
Cc1[nH]ncc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000504505961	1194796190	/nfs/dbraw/zinc/79/61/90/1194796190.db2.gz	JOARROYGYCBRQW-UHFFFAOYSA-N	0	1	388.453	0.806	20	30		GCEDMN
C=CCCn1cc(C(=O)N(CCN(CC)CC)[C@H]2CCS(=O)(=O)C2)nn1	ZINC000424748473	1194828941	/nfs/dbraw/zinc/82/89/41/1194828941.db2.gz	HYKLSFZMSWDBLW-HNNXBMFYSA-N	0	1	383.518	0.825	20	30		GCEDMN
COC[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCO1	ZINC000434789788	1194870056	/nfs/dbraw/zinc/87/00/56/1194870056.db2.gz	ZWMIRMDAFJOZKY-JKSUJKDBSA-N	0	1	377.445	0.287	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1OCC	ZINC000983332118	1194918126	/nfs/dbraw/zinc/91/81/26/1194918126.db2.gz	DJGWIHNMSFLUEX-MXASKKJJSA-N	0	1	391.472	0.308	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1OCC	ZINC000983332118	1194918128	/nfs/dbraw/zinc/91/81/28/1194918128.db2.gz	DJGWIHNMSFLUEX-MXASKKJJSA-N	0	1	391.472	0.308	20	30		GCEDMN
Cc1cc(OCC(=O)NC(N)=O)ccc1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000435475930	1194935053	/nfs/dbraw/zinc/93/50/53/1194935053.db2.gz	ZHGOIAOAJKBUGC-UHFFFAOYSA-N	0	1	389.393	0.636	20	30		GCEDMN
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN1C1CC1	ZINC000289046219	1195084030	/nfs/dbraw/zinc/08/40/30/1195084030.db2.gz	XFEHXIGLAJUJCI-KPFFTGBYSA-N	0	1	395.507	0.964	20	30		GCEDMN
Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)CCCS(N)(=O)=O)cc1C#N	ZINC001270209529	1195106647	/nfs/dbraw/zinc/10/66/47/1195106647.db2.gz	IQMQSINMJLSIRX-HOTGVXAUSA-N	0	1	379.486	0.141	20	30		GCEDMN
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@H]2C(N)=O)c1	ZINC000473583230	1195161928	/nfs/dbraw/zinc/16/19/28/1195161928.db2.gz	QDXHNICVZIBXJP-ZWKOTPCHSA-N	0	1	397.479	0.505	20	30		GCEDMN
COCCCN1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270291888	1195176718	/nfs/dbraw/zinc/17/67/18/1195176718.db2.gz	GXNZASFOLHQTKQ-AWEZNQCLSA-N	0	1	377.466	0.907	20	30		GCEDMN
N#CCCn1ccc(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)n1	ZINC000438309766	1195205089	/nfs/dbraw/zinc/20/50/89/1195205089.db2.gz	ZYYCEOMUKGEVSP-UHFFFAOYSA-N	0	1	397.487	1.311	20	30		GCEDMN
N#Cc1ncn(CC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)n1	ZINC000438698132	1195239413	/nfs/dbraw/zinc/23/94/13/1195239413.db2.gz	YWYVKDQTUPZECF-UHFFFAOYSA-N	0	1	384.381	0.379	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CN2C(=O)Cn3c4ccccc4cc3C2=O)CC1	ZINC000518817703	1195337601	/nfs/dbraw/zinc/33/76/01/1195337601.db2.gz	BHRICGXFTLDAHB-UHFFFAOYSA-N	0	1	379.420	0.728	20	30		GCEDMN
Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2N)cc1C#N	ZINC000427332278	1195528382	/nfs/dbraw/zinc/52/83/82/1195528382.db2.gz	UKOAKVRLUGASKZ-UHFFFAOYSA-N	0	1	395.466	0.895	20	30		GCEDMN
C#CCNC(=O)CN1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1	ZINC000729477781	1195554567	/nfs/dbraw/zinc/55/45/67/1195554567.db2.gz	CRRVYHGFGMLWNL-UHFFFAOYSA-N	0	1	395.511	0.877	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1	ZINC000519711826	1195567095	/nfs/dbraw/zinc/56/70/95/1195567095.db2.gz	RKUJFZVFBNQJME-LBPRGKRZSA-N	0	1	391.409	0.331	20	30		GCEDMN
COCCNS(=O)(=O)c1cccc(C(=O)NC2(C#N)CCN(C)CC2)c1	ZINC000520246794	1195611543	/nfs/dbraw/zinc/61/15/43/1195611543.db2.gz	DIMDMAYNOOTBEC-UHFFFAOYSA-N	0	1	380.470	0.329	20	30		GCEDMN
CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)C1	ZINC000328661610	1195657902	/nfs/dbraw/zinc/65/79/02/1195657902.db2.gz	AFCYHNJCOOWAKJ-JKSUJKDBSA-N	0	1	388.534	0.226	20	30		GCEDMN
COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC[C@H](CN3CCOCC3)C1)CC2	ZINC000328716110	1195662344	/nfs/dbraw/zinc/66/23/44/1195662344.db2.gz	TVECCOCNTWFECO-CVEARBPZSA-N	0	1	392.504	0.698	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1	ZINC000330430044	1195688663	/nfs/dbraw/zinc/68/86/63/1195688663.db2.gz	HWFNBBYSIVUNQA-INIZCTEOSA-N	0	1	390.550	0.613	20	30		GCEDMN
CNC(=O)[C@@H]1CCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000330443637	1195691064	/nfs/dbraw/zinc/69/10/64/1195691064.db2.gz	WJQJHFRGKXOPTC-HNNXBMFYSA-N	0	1	381.521	0.738	20	30		GCEDMN
C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)CN1C	ZINC000330593525	1195697352	/nfs/dbraw/zinc/69/73/52/1195697352.db2.gz	PWVAFEVOUPFDOO-ZIAGYGMSSA-N	0	1	396.513	0.793	20	30		GCEDMN
C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)CN1C	ZINC000330593522	1195697456	/nfs/dbraw/zinc/69/74/56/1195697456.db2.gz	PWVAFEVOUPFDOO-KGLIPLIRSA-N	0	1	396.513	0.793	20	30		GCEDMN
CCc1ccc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc1S(N)(=O)=O	ZINC000330799999	1195708008	/nfs/dbraw/zinc/70/80/08/1195708008.db2.gz	DGVGKRWVINLFIG-UHFFFAOYSA-N	0	1	384.502	0.830	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@H]1C	ZINC000330874985	1195710219	/nfs/dbraw/zinc/71/02/19/1195710219.db2.gz	ZNQWWQUZVDJTCU-CABCVRRESA-N	0	1	398.529	0.738	20	30		GCEDMN
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)CC2)c1	ZINC000330992755	1195716445	/nfs/dbraw/zinc/71/64/45/1195716445.db2.gz	NFOZUNRNXNVCON-CQSZACIVSA-N	0	1	398.529	0.958	20	30		GCEDMN
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)CC2)cc1	ZINC000330978572	1195716495	/nfs/dbraw/zinc/71/64/95/1195716495.db2.gz	IRIZWXIJWZWJIR-AWEZNQCLSA-N	0	1	398.529	0.958	20	30		GCEDMN
C[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1cccc(S(N)(=O)=O)c1	ZINC000330998940	1195717009	/nfs/dbraw/zinc/71/70/09/1195717009.db2.gz	PMSOYXBOMFILJP-ZDUSSCGKSA-N	0	1	384.502	0.698	20	30		GCEDMN
N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)cc1	ZINC000536370868	1195750378	/nfs/dbraw/zinc/75/03/78/1195750378.db2.gz	OLVYYLWLUMVSKI-UHFFFAOYSA-N	0	1	392.375	0.667	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1	ZINC000521069808	1195959770	/nfs/dbraw/zinc/95/97/70/1195959770.db2.gz	UGULNAOHVGPCTC-QGZVFWFLSA-N	0	1	376.482	0.532	20	30		GCEDMN
C=CCN1CC[C@H](N(C)CC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O	ZINC000366915451	1195963072	/nfs/dbraw/zinc/96/30/72/1195963072.db2.gz	UBOVFZNRNZDNSK-SFHVURJKSA-N	0	1	392.544	0.856	20	30		GCEDMN
CCOc1ccc(S(=O)(=O)NCCC(=O)NC2(C#N)CCN(C)CC2)cc1	ZINC000521859300	1196020778	/nfs/dbraw/zinc/02/07/78/1196020778.db2.gz	QXDADBKRHWTDOH-UHFFFAOYSA-N	0	1	394.497	0.858	20	30		GCEDMN
O=C(NCC#C[C@@H]1CCCCO1)N[C@@H]1CCCN(CCN2CCOCC2)C1	ZINC000896468648	1196149734	/nfs/dbraw/zinc/14/97/34/1196149734.db2.gz	BHVHGGQBWSVGMP-MOPGFXCFSA-N	0	1	378.517	0.655	20	30		GCEDMN
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H]3[C@@H](C1)NC(=O)N3C(C)C)CC2	ZINC000329058234	1196160418	/nfs/dbraw/zinc/16/04/18/1196160418.db2.gz	MTTFAOPEQIYSEQ-MJBXVCDLSA-N	0	1	391.476	0.734	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)CC2	ZINC000329073990	1196161201	/nfs/dbraw/zinc/16/12/01/1196161201.db2.gz	PBXLJIVMHMQUML-LXTVHRRPSA-N	0	1	379.461	0.515	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c1	ZINC000896575928	1196169031	/nfs/dbraw/zinc/16/90/31/1196169031.db2.gz	DIEIEBWLKSRMBS-PBHICJAKSA-N	0	1	380.514	0.515	20	30		GCEDMN
O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2[nH]cnc2cc1F	ZINC000329155374	1196169747	/nfs/dbraw/zinc/16/97/47/1196169747.db2.gz	ATSXXJXODXHSOW-LBPRGKRZSA-N	0	1	375.404	0.940	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)C1=O	ZINC000329178323	1196172399	/nfs/dbraw/zinc/17/23/99/1196172399.db2.gz	NCIHXEHNYYVCNC-INIZCTEOSA-N	0	1	399.451	0.754	20	30		GCEDMN
CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1	ZINC000329187681	1196173663	/nfs/dbraw/zinc/17/36/63/1196173663.db2.gz	QXHWXBOMUPYANV-JKSUJKDBSA-N	0	1	387.550	0.036	20	30		GCEDMN
CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1	ZINC000329201606	1196175229	/nfs/dbraw/zinc/17/52/29/1196175229.db2.gz	VQUXKNOUPPGKBC-XQQFMLRXSA-N	0	1	383.474	0.935	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)c3csc(-c4nc[nH]n4)n3)CC2)C1=O	ZINC000329210914	1196177202	/nfs/dbraw/zinc/17/72/02/1196177202.db2.gz	ZUJIAKZBDRINJY-GFCCVEGCSA-N	0	1	375.458	0.928	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329266456	1196181423	/nfs/dbraw/zinc/18/14/23/1196181423.db2.gz	HJXAWJCMWXJUDU-SJORKVTESA-N	0	1	380.537	0.806	20	30		GCEDMN
CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)CC2	ZINC000329317556	1196185159	/nfs/dbraw/zinc/18/51/59/1196185159.db2.gz	HYNZKGAKTBXZEB-ZDUSSCGKSA-N	0	1	398.533	0.986	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@H]1CCN(S(C)(=O)=O)C1)CC2	ZINC000329338182	1196186633	/nfs/dbraw/zinc/18/66/33/1196186633.db2.gz	MWLOSQKTKFDRHB-CHWSQXEVSA-N	0	1	384.506	0.501	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)CC2	ZINC000329338182	1196186636	/nfs/dbraw/zinc/18/66/36/1196186636.db2.gz	MWLOSQKTKFDRHB-CHWSQXEVSA-N	0	1	384.506	0.501	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1C	ZINC000329341722	1196187269	/nfs/dbraw/zinc/18/72/69/1196187269.db2.gz	PCLMEIHQFNYQBC-YESZJQIVSA-N	0	1	381.521	0.968	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)CC2	ZINC000329340474	1196187342	/nfs/dbraw/zinc/18/73/42/1196187342.db2.gz	OITITJZEKNXYPA-CYBMUJFWSA-N	0	1	384.506	0.598	20	30		GCEDMN
CN(CC(=O)NC[C@H]1CN(C)CCN1C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000329393540	1196191667	/nfs/dbraw/zinc/19/16/67/1196191667.db2.gz	WFTLTJWOVNKGTE-HNNXBMFYSA-N	0	1	379.486	0.381	20	30		GCEDMN
Cc1nnc2n1C[C@@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C3CC3)C1)CC2	ZINC000329398229	1196192393	/nfs/dbraw/zinc/19/23/93/1196192393.db2.gz	YBYDURVGZZMIME-ZIAGYGMSSA-N	0	1	396.517	0.609	20	30		GCEDMN
Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])N[C@@H]1CCCN(S(=O)(=O)C3CC3)C1)CC2	ZINC000329403179	1196192848	/nfs/dbraw/zinc/19/28/48/1196192848.db2.gz	ZSALQZQUPJMBOC-OLZOCXBDSA-N	0	1	382.490	0.362	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](N3CCOCC3)C[C@@H]1C)CC2	ZINC000329428305	1196194986	/nfs/dbraw/zinc/19/49/86/1196194986.db2.gz	JLVFRPDXZDOSGY-RRFJBIMHSA-N	0	1	378.477	0.448	20	30		GCEDMN
O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329472268	1196199342	/nfs/dbraw/zinc/19/93/42/1196199342.db2.gz	AFEYKUQNIXAMPG-LSDHHAIUSA-N	0	1	397.501	0.307	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)[C@@H](C)C1	ZINC000329530264	1196203711	/nfs/dbraw/zinc/20/37/11/1196203711.db2.gz	VPKCEXQFQOXMJO-HRCADAONSA-N	0	1	392.504	0.050	20	30		GCEDMN
O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000329735955	1196228786	/nfs/dbraw/zinc/22/87/86/1196228786.db2.gz	LFUDCVHAJNAEEN-AWEZNQCLSA-N	0	1	375.425	0.901	20	30		GCEDMN
COCc1nc2n(n1)C[C@@H](NC(=O)N1CCOCC3(CCOCC3)C1)CC2	ZINC000329758627	1196230080	/nfs/dbraw/zinc/23/00/80/1196230080.db2.gz	NVOBYOKNKVFSCO-AWEZNQCLSA-N	0	1	379.461	0.782	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCCS(=O)(=O)C3)cn2)CC1	ZINC000329779440	1196230779	/nfs/dbraw/zinc/23/07/79/1196230779.db2.gz	LXCDHBLIWRKDID-INIZCTEOSA-N	0	1	395.529	0.804	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](c3cnn(C)c3)C1)CC2	ZINC000329832541	1196233265	/nfs/dbraw/zinc/23/32/65/1196233265.db2.gz	KZLDTDZBIIWJOH-ZIAGYGMSSA-N	0	1	375.433	0.460	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)[C@H](N3CCOCC3)C1)CC2	ZINC000329855746	1196234531	/nfs/dbraw/zinc/23/45/31/1196234531.db2.gz	XOWQNYHEEYFURH-RRFJBIMHSA-N	0	1	378.477	0.306	20	30		GCEDMN
Cc1c([C@@H]2[C@H](C(=O)NC[C@@H](C)N3CCN(C)CC3)CC(=O)N2C)cnn1C	ZINC000329887626	1196236472	/nfs/dbraw/zinc/23/64/72/1196236472.db2.gz	XRVCXUSFMRNWDP-SIIHOXLZSA-N	0	1	376.505	0.840	20	30		GCEDMN
C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21	ZINC000329979020	1196243771	/nfs/dbraw/zinc/24/37/71/1196243771.db2.gz	ITILQSPPXUKIOK-BRWVUGGUSA-N	0	1	386.562	0.968	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330097655	1196252732	/nfs/dbraw/zinc/25/27/32/1196252732.db2.gz	YNDFXPODKIKMMD-MRXNPFEDSA-N	0	1	375.521	0.954	20	30		GCEDMN
C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1	ZINC000330162179	1196257158	/nfs/dbraw/zinc/25/71/58/1196257158.db2.gz	UILUIPQJUPKYDK-UONOGXRCSA-N	0	1	397.501	0.672	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)N1CCN(C)CC1	ZINC000330170613	1196257377	/nfs/dbraw/zinc/25/73/77/1196257377.db2.gz	DVGAWENRXIYBPR-HOTGVXAUSA-N	0	1	389.566	0.138	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)CSc1ccc(C#N)cc1	ZINC000281011811	1196270632	/nfs/dbraw/zinc/27/06/32/1196270632.db2.gz	FJJCLZCEPOBBTM-UHFFFAOYSA-N	0	1	390.509	0.899	20	30		GCEDMN
CN(CC(=O)NC1(C#N)CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000523149194	1196494558	/nfs/dbraw/zinc/49/45/58/1196494558.db2.gz	WSIMFETUUKALAK-UHFFFAOYSA-N	0	1	395.441	0.319	20	30		GCEDMN
N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1	ZINC000446453317	1196642717	/nfs/dbraw/zinc/64/27/17/1196642717.db2.gz	OPVICNUVPQKMPZ-UHFFFAOYSA-N	0	1	391.391	0.938	20	30		GCEDMN
C=CCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1	ZINC000446472630	1196644160	/nfs/dbraw/zinc/64/41/60/1196644160.db2.gz	YZELCBIQDZJNGO-UHFFFAOYSA-N	0	1	390.425	0.701	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)CN2CCN(C)CC2)c1	ZINC000525600999	1196692213	/nfs/dbraw/zinc/69/22/13/1196692213.db2.gz	FOSWTKPQAADXDL-INIZCTEOSA-N	0	1	394.541	0.764	20	30		GCEDMN
O=C(C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1)N1CCOCC1	ZINC000528349749	1196851468	/nfs/dbraw/zinc/85/14/68/1196851468.db2.gz	POJKSDWYLIONIK-UHFFFAOYSA-N	0	1	395.459	0.857	20	30		GCEDMN
C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000451278202	1196984717	/nfs/dbraw/zinc/98/47/17/1196984717.db2.gz	OAGLNCHRNQSZER-AWEZNQCLSA-N	0	1	393.513	0.653	20	30		GCEDMN
C[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000530413915	1196986093	/nfs/dbraw/zinc/98/60/93/1196986093.db2.gz	QJMQEONKJXZFSS-KGLIPLIRSA-N	0	1	385.424	0.910	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O	ZINC000451607791	1196999816	/nfs/dbraw/zinc/99/98/16/1196999816.db2.gz	QPZZNSVKPPOTMW-ZBFHGGJFSA-N	0	1	384.436	0.293	20	30		GCEDMN
CCO[C@@H]1COC[C@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000451947545	1197027725	/nfs/dbraw/zinc/02/77/25/1197027725.db2.gz	PNRIBVBQFJTSBB-OWCLPIDISA-N	0	1	378.498	0.850	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1	ZINC000531842138	1197100558	/nfs/dbraw/zinc/10/05/58/1197100558.db2.gz	KVMQTXWJQQXAQJ-UHFFFAOYSA-N	0	1	378.454	0.099	20	30		GCEDMN
C=CCN1C(=O)N=NC1SCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000532106596	1197114798	/nfs/dbraw/zinc/11/47/98/1197114798.db2.gz	CVHKMIDUTBJGGN-UHFFFAOYSA-N	0	1	396.517	0.321	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H]1CC(=O)OC)c1ccn[nH]1	ZINC001648978262	1197262729	/nfs/dbraw/zinc/26/27/29/1197262729.db2.gz	JXKSDTKFNKWUNY-NWDGAFQWSA-N	0	1	380.401	0.542	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)n(CCC#N)n1	ZINC000533457137	1197452158	/nfs/dbraw/zinc/45/21/58/1197452158.db2.gz	AQPMDRUBIXKZKH-UHFFFAOYSA-N	0	1	388.472	0.615	20	30		GCEDMN
CCN(CCC#N)C(=O)COC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O	ZINC000729711344	1197478238	/nfs/dbraw/zinc/47/82/38/1197478238.db2.gz	QMWPHTAQICYVOC-UHFFFAOYSA-N	0	1	384.396	0.796	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000729712852	1197478343	/nfs/dbraw/zinc/47/83/43/1197478343.db2.gz	YNVZVVCNEMBLIV-GFCCVEGCSA-N	0	1	384.396	0.794	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@H]2c2ccc(CC)cc2)C1=O	ZINC000262145850	1197524737	/nfs/dbraw/zinc/52/47/37/1197524737.db2.gz	FKPTUYNIENJBQB-INIZCTEOSA-N	0	1	384.436	0.699	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271770211	1197558830	/nfs/dbraw/zinc/55/88/30/1197558830.db2.gz	CXIPUMDQBIMLAX-QWHCGFSZSA-N	0	1	382.486	0.988	20	30		GCEDMN
C#CCOc1cccc(NC(=O)C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)c1	ZINC000271726665	1197558952	/nfs/dbraw/zinc/55/89/52/1197558952.db2.gz	ONUJIOXKSKIMOX-HNNXBMFYSA-N	0	1	383.408	0.918	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)c1	ZINC000108264130	1199041975	/nfs/dbraw/zinc/04/19/75/1199041975.db2.gz	ZCECWKSTNCXOGW-UHFFFAOYSA-N	0	1	394.541	0.908	20	30		GCEDMN
CC(=O)N1CCN(C(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000060330076	1199090136	/nfs/dbraw/zinc/09/01/36/1199090136.db2.gz	RBWDJBDAHPSTBD-UHFFFAOYSA-N	0	1	397.479	0.899	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H](OC)C1	ZINC000946585179	1199824133	/nfs/dbraw/zinc/82/41/33/1199824133.db2.gz	NTYJMEJTBGHJOZ-RJZRQDKASA-N	0	1	378.429	0.063	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4[nH]nnc4C2)C3)c[nH]1	ZINC001004334481	1199861286	/nfs/dbraw/zinc/86/12/86/1199861286.db2.gz	FNQDXWSOKSQFEY-FCMJPMOSSA-N	0	1	379.424	0.671	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4nn[nH]c4C2)C3)c[nH]1	ZINC001004334481	1199861288	/nfs/dbraw/zinc/86/12/88/1199861288.db2.gz	FNQDXWSOKSQFEY-FCMJPMOSSA-N	0	1	379.424	0.671	20	30		GCEDMN
CN(C)C(=O)CN1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000125290638	1199876443	/nfs/dbraw/zinc/87/64/43/1199876443.db2.gz	BGOZTLGCQJXYOH-UHFFFAOYSA-N	0	1	386.424	0.667	20	30		GCEDMN
C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1	ZINC000282441264	1199936823	/nfs/dbraw/zinc/93/68/23/1199936823.db2.gz	ZKCVWHKYCLTPQN-UHFFFAOYSA-N	0	1	395.511	0.765	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCc4n[nH]nc42)C3)[nH]1	ZINC001005590974	1200379766	/nfs/dbraw/zinc/37/97/66/1200379766.db2.gz	DSAISMOKAJCLLX-BHTHQVBYSA-N	0	1	379.424	0.986	20	30		GCEDMN
CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000349546618	1200649030	/nfs/dbraw/zinc/64/90/30/1200649030.db2.gz	BTNJWXHPFRHOLY-UHFFFAOYSA-N	0	1	399.498	0.935	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000349521824	1200649375	/nfs/dbraw/zinc/64/93/75/1200649375.db2.gz	LYMDZYOTWNLFAN-CYBMUJFWSA-N	0	1	399.498	1.030	20	30		GCEDMN
Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)n[nH]1	ZINC000460736188	1200763527	/nfs/dbraw/zinc/76/35/27/1200763527.db2.gz	OMOASUMICYMGAB-GFCCVEGCSA-N	0	1	392.423	1.165	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](OC)C1	ZINC000946865258	1200831634	/nfs/dbraw/zinc/83/16/34/1200831634.db2.gz	DXXNQFODNWUSST-CFAJVAMVSA-N	0	1	377.445	0.061	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2	ZINC000923275267	1200918969	/nfs/dbraw/zinc/91/89/69/1200918969.db2.gz	YSDSXACDWUWBII-IMJJTQAJSA-N	0	1	376.482	0.920	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCOC[C@@H]1c1nnc[nH]1	ZINC000585801795	1200970105	/nfs/dbraw/zinc/97/01/05/1200970105.db2.gz	VBGOXZURBWJIAM-CYBMUJFWSA-N	0	1	379.384	1.171	20	30		GCEDMN
C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000349521825	1201050607	/nfs/dbraw/zinc/05/06/07/1201050607.db2.gz	LYMDZYOTWNLFAN-ZDUSSCGKSA-N	0	1	399.498	1.030	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)nn1CCC#N	ZINC000611247509	1201227040	/nfs/dbraw/zinc/22/70/40/1201227040.db2.gz	ZFXHUVZKHLCBCH-MRXNPFEDSA-N	0	1	388.472	0.757	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C	ZINC001080596932	1201277274	/nfs/dbraw/zinc/27/72/74/1201277274.db2.gz	GMGWXZKDBKXPEE-QXSJWSMHSA-N	0	1	392.500	0.735	20	30		GCEDMN
C=CCNC(=O)[C@@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O	ZINC000728108308	1201398354	/nfs/dbraw/zinc/39/83/54/1201398354.db2.gz	YZERPWUKLMMABX-SNVBAGLBSA-N	0	1	383.426	0.864	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]21	ZINC001084716224	1201443021	/nfs/dbraw/zinc/44/30/21/1201443021.db2.gz	URHFIIGFVZLNFF-DLTWYDFYSA-N	0	1	376.457	0.052	20	30		GCEDMN
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(C#N)CCN(C)CC1	ZINC000731636791	1201493905	/nfs/dbraw/zinc/49/39/05/1201493905.db2.gz	QELJTOCBBUBXNL-UHFFFAOYSA-N	0	1	376.369	0.899	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CCN(CC(=O)N3CCOCC3)[C@H]2C1	ZINC001084943339	1201502467	/nfs/dbraw/zinc/50/24/67/1201502467.db2.gz	VIKRGLNDBURSAY-YRXWBPOGSA-N	0	1	391.512	0.749	20	30		GCEDMN
C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000735116481	1201679413	/nfs/dbraw/zinc/67/94/13/1201679413.db2.gz	NFHLWHOGVXVTEF-DUUUWJQVSA-N	0	1	396.407	0.324	20	30		GCEDMN
Cc1cccc2[nH]c(C(C#N)C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)nc21	ZINC000735791612	1201701976	/nfs/dbraw/zinc/70/19/76/1201701976.db2.gz	ACMZDQQFYUDDKP-LLVKDONJSA-N	0	1	391.391	0.495	20	30		GCEDMN
Cc1cccc2nc([C@H](C#N)C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)[nH]c21	ZINC000735791612	1201701978	/nfs/dbraw/zinc/70/19/78/1201701978.db2.gz	ACMZDQQFYUDDKP-LLVKDONJSA-N	0	1	391.391	0.495	20	30		GCEDMN
C#CCN1CCC(C(=O)OCc2nnc3n2c2ccccc2c(=O)n3C)CC1	ZINC000735939559	1201706040	/nfs/dbraw/zinc/70/60/40/1201706040.db2.gz	HHSXUKGQTVKKBP-UHFFFAOYSA-N	0	1	379.420	0.970	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@]12C[C@H]1CCN2C(=O)C(C#N)Cc1cccs1	ZINC001273427745	1201861585	/nfs/dbraw/zinc/86/15/85/1201861585.db2.gz	NIAPMYQOHDKVNZ-AHIWAGSCSA-N	0	1	395.506	0.582	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@]12C[C@H]1CCN2C(=O)C(C#N)Cc1cccs1	ZINC001273427748	1201861674	/nfs/dbraw/zinc/86/16/74/1201861674.db2.gz	NIAPMYQOHDKVNZ-XNJGSVPQSA-N	0	1	395.506	0.582	20	30		GCEDMN
C=CCNC(=O)[C@@H](C)OC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1	ZINC000745539540	1201880939	/nfs/dbraw/zinc/88/09/39/1201880939.db2.gz	XNOMMTNHJDZJPE-SNVBAGLBSA-N	0	1	386.426	0.923	20	30		GCEDMN
O=C(CCN1CCN(c2ccccn2)CC1)NCCNC(=O)C1N=CC=CC1=O	ZINC000746019966	1201895899	/nfs/dbraw/zinc/89/58/99/1201895899.db2.gz	DZBDMPJRDCKVRW-FMQUCBEESA-N	0	1	398.467	0.236	20	30		GCEDMN
N#CCn1cc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cn1	ZINC000746357229	1201913273	/nfs/dbraw/zinc/91/32/73/1201913273.db2.gz	YCICXGUXMZHDNS-UHFFFAOYSA-N	0	1	395.467	0.674	20	30		GCEDMN
C=CCN1CCN(C)C2(CCN([C@H]3CC[C@@H](C(=O)OCC)OC3)CC2)C1=O	ZINC001169399874	1201946176	/nfs/dbraw/zinc/94/61/76/1201946176.db2.gz	WYWOXSHYAYHULO-IRXDYDNUSA-N	0	1	379.501	0.892	20	30		GCEDMN
CCC[C@@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000766793446	1201955162	/nfs/dbraw/zinc/95/51/62/1201955162.db2.gz	LUUURTKXGKIOOL-BQASMSSTSA-N	0	1	393.488	0.655	20	30		GCEDMN
CCC[C@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000766793447	1201955357	/nfs/dbraw/zinc/95/53/57/1201955357.db2.gz	LUUURTKXGKIOOL-DVEDPGPFSA-N	0	1	393.488	0.655	20	30		GCEDMN
C=CC[C@@H](Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1)C(=O)OC	ZINC001169844272	1201957739	/nfs/dbraw/zinc/95/77/39/1201957739.db2.gz	CAEOXECGXRYCFH-CYBMUJFWSA-N	0	1	383.405	0.952	20	30		GCEDMN
CCC[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000767123861	1201966930	/nfs/dbraw/zinc/96/69/30/1201966930.db2.gz	ULXKHCGRUPAHKL-IJYGLTAASA-N	0	1	378.473	0.862	20	30		GCEDMN
C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(OCC#N)cc1	ZINC001109167946	1201999795	/nfs/dbraw/zinc/99/97/95/1201999795.db2.gz	LPQUOLGLJZZMES-NEWSRXKRSA-N	0	1	380.448	0.950	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O	ZINC001109204163	1202004497	/nfs/dbraw/zinc/00/44/97/1202004497.db2.gz	FTEGXGTUILNPHR-BZIRYSOJSA-N	0	1	378.473	0.365	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2	ZINC001109419336	1202042039	/nfs/dbraw/zinc/04/20/39/1202042039.db2.gz	OTQVRPCSISVKLJ-FAHYXWLWSA-N	0	1	386.456	0.247	20	30		GCEDMN
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C)C2	ZINC001109450385	1202054595	/nfs/dbraw/zinc/05/45/95/1202054595.db2.gz	PUWCSTWCNKPZKZ-VSZNYVQBSA-N	0	1	375.517	0.954	20	30		GCEDMN
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3ccncc3)n1)C2	ZINC001109512680	1202069430	/nfs/dbraw/zinc/06/94/30/1202069430.db2.gz	UQDNGHISRGMJTD-PVAVHDDUSA-N	0	1	379.424	0.242	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)N(C)C	ZINC001109735321	1202115246	/nfs/dbraw/zinc/11/52/46/1202115246.db2.gz	BNQPOVAZBQRITE-NRKLIOEPSA-N	0	1	385.530	0.581	20	30		GCEDMN
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O	ZINC001109767925	1202120387	/nfs/dbraw/zinc/12/03/87/1202120387.db2.gz	QWVOWAJPZVAGIY-WCVJEAGWSA-N	0	1	377.485	0.820	20	30		GCEDMN
C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O	ZINC001109767924	1202120499	/nfs/dbraw/zinc/12/04/99/1202120499.db2.gz	QWVOWAJPZVAGIY-UGUYLWEFSA-N	0	1	377.485	0.820	20	30		GCEDMN
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCCC1=O	ZINC001109806052	1202125651	/nfs/dbraw/zinc/12/56/51/1202125651.db2.gz	MMTZBDHVUWERCZ-XDNAFOTISA-N	0	1	376.501	0.801	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CCO2	ZINC000771890142	1202167636	/nfs/dbraw/zinc/16/76/36/1202167636.db2.gz	OCSFQPMHWKYQDN-UHFFFAOYSA-N	0	1	392.437	0.112	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cccc3c2OC(C)(C)C3)c(=O)n(C)c1=O	ZINC000771889917	1202168006	/nfs/dbraw/zinc/16/80/06/1202168006.db2.gz	MDNDDIMMOAFOHP-UHFFFAOYSA-N	0	1	392.437	0.110	20	30		GCEDMN
CCO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C12CCCC2	ZINC000771891249	1202168253	/nfs/dbraw/zinc/16/82/53/1202168253.db2.gz	KPVPTACNXPDHRG-CYBMUJFWSA-N	0	1	384.458	0.088	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC(C)(C)c3ccccc32)c(=O)n(C)c1=O	ZINC000771892930	1202168473	/nfs/dbraw/zinc/16/84/73/1202168473.db2.gz	WFXMIPUSOWAZKV-UHFFFAOYSA-N	0	1	376.438	0.448	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n(C)c1=O	ZINC000771892216	1202168483	/nfs/dbraw/zinc/16/84/83/1202168483.db2.gz	OLMAIXVRQVTVPM-UHFFFAOYSA-N	0	1	392.437	0.110	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3ccccc3)o2)c(=O)n(C)c1=O	ZINC000771896809	1202169031	/nfs/dbraw/zinc/16/90/31/1202169031.db2.gz	JEJCMPNWSJGHFX-UHFFFAOYSA-N	0	1	388.405	0.656	20	30		GCEDMN
CCc1cccc2c(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c[nH]c21	ZINC000771897559	1202169070	/nfs/dbraw/zinc/16/90/70/1202169070.db2.gz	GBXCSZJCJKQQCB-UHFFFAOYSA-N	0	1	389.437	0.440	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000772120595	1202174810	/nfs/dbraw/zinc/17/48/10/1202174810.db2.gz	LAPMRHQQTGDRKL-UHFFFAOYSA-N	0	1	387.436	0.452	20	30		GCEDMN
C#CCN1CCC(C(=O)OCCCN2C(=O)CS/C2=C\C(=O)OC)CC1	ZINC000772113330	1202174836	/nfs/dbraw/zinc/17/48/36/1202174836.db2.gz	LYUHRYCLVKRNKR-VBKFSLOCSA-N	0	1	380.466	0.855	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000772120584	1202174935	/nfs/dbraw/zinc/17/49/35/1202174935.db2.gz	KTYLBVIMLIBZJK-UHFFFAOYSA-N	0	1	387.392	0.952	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc2c1OCCO2)c1ccn[nH]1	ZINC000772205063	1202177648	/nfs/dbraw/zinc/17/76/48/1202177648.db2.gz	ZKFQUQRSDGMOGR-UHFFFAOYSA-N	0	1	388.380	0.781	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn32)CC1	ZINC000787921315	1205408422	/nfs/dbraw/zinc/40/84/22/1205408422.db2.gz	CDBUDFHRVORHJJ-IBGZPJMESA-N	0	1	379.464	0.987	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@](C)(O)c1cccs1)c1ccn[nH]1	ZINC000789987671	1205453991	/nfs/dbraw/zinc/45/39/91/1205453991.db2.gz	VRROBKIUDKVXIH-INIZCTEOSA-N	0	1	380.426	0.779	20	30		GCEDMN
N#Cc1ccnc(N2CCN(CN3C[C@]4(CN5CCC4CC5)OC3=O)CC2)c1	ZINC000790367542	1205463442	/nfs/dbraw/zinc/46/34/42/1205463442.db2.gz	JQONCLCZLHITPG-FQEVSTJZSA-N	0	1	382.468	0.949	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CC(=O)N(C)[C@@H]1c1ccccc1)c1cc[nH]n1	ZINC000793929587	1205509718	/nfs/dbraw/zinc/50/97/18/1205509718.db2.gz	MFVDRZIVAQSPRG-SFHVURJKSA-N	0	1	399.407	0.693	20	30		GCEDMN
C#CCNc1nc(NCCc2ccn(C)n2)nc(NCCc2ccn(C)n2)n1	ZINC000804614092	1205518921	/nfs/dbraw/zinc/51/89/21/1205518921.db2.gz	SHASRHLLIVHGQY-UHFFFAOYSA-N	0	1	380.460	0.693	20	30		GCEDMN
C#CCNc1nc(NC[C@@]2(OC)CCOC2)nc(NC[C@@]2(OC)CCOC2)n1	ZINC000804615828	1205519371	/nfs/dbraw/zinc/51/93/71/1205519371.db2.gz	CADOQMHYRIVXJZ-ROUUACIJSA-N	0	1	392.460	0.352	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1	ZINC001130015441	1205528770	/nfs/dbraw/zinc/52/87/70/1205528770.db2.gz	VUOGPAAQOBOCIL-FPCVCCKLSA-N	0	1	384.440	0.319	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)NCC)[C@@H](n2ccnn2)C1	ZINC001130033814	1205529891	/nfs/dbraw/zinc/52/98/91/1205529891.db2.gz	GCOLHKAYNHFQGO-DFGXFYAUSA-N	0	1	390.488	0.127	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NCC)C1	ZINC001130687722	1205560054	/nfs/dbraw/zinc/56/00/54/1205560054.db2.gz	OCVSZGQKFLFNRB-BVYOLEPJSA-N	0	1	389.500	0.421	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NC)C1	ZINC001130687945	1205560180	/nfs/dbraw/zinc/56/01/80/1205560180.db2.gz	XXSDESFRSVBSSV-BVYOLEPJSA-N	0	1	389.500	0.421	20	30		GCEDMN
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1n[nH]c([C@H]2CC[C@@H](CNCC#N)O2)n1	ZINC001130809415	1205572507	/nfs/dbraw/zinc/57/25/07/1205572507.db2.gz	XBCUCRAVBZOGPP-KYEXWDHISA-N	0	1	384.444	0.291	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](C)C1	ZINC000807110659	1205575594	/nfs/dbraw/zinc/57/55/94/1205575594.db2.gz	XAWRWAINDSZWJO-YHUYYLMFSA-N	0	1	395.504	0.842	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NC)C1	ZINC001130991426	1205584875	/nfs/dbraw/zinc/58/48/75/1205584875.db2.gz	JLFYUYSBTBEIFW-ANQUJSFKSA-N	0	1	375.473	0.031	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#CCOC)C1	ZINC001130991504	1205584960	/nfs/dbraw/zinc/58/49/60/1205584960.db2.gz	OMMHMCNSMUCEEM-MLYOOKFZSA-N	0	1	386.496	0.935	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCCO1	ZINC000807855378	1205591519	/nfs/dbraw/zinc/59/15/19/1205591519.db2.gz	ISUINDZASBVSAD-ROUUACIJSA-N	0	1	391.512	0.682	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)N(C)CC)C1	ZINC001131072144	1205591748	/nfs/dbraw/zinc/59/17/48/1205591748.db2.gz	KTIGUCLOMKAXFV-KONPQCLYSA-N	0	1	389.500	0.374	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1c1cncn1C	ZINC001131075948	1205593777	/nfs/dbraw/zinc/59/37/77/1205593777.db2.gz	AQCWWCIQRSUDIH-KCYZZUKISA-N	0	1	375.473	0.174	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1	ZINC000810298706	1205635414	/nfs/dbraw/zinc/63/54/14/1205635414.db2.gz	XAJOFKDVLZAOMM-UHFFFAOYSA-N	0	1	396.432	0.938	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1	ZINC000810298706	1205635415	/nfs/dbraw/zinc/63/54/15/1205635415.db2.gz	XAJOFKDVLZAOMM-UHFFFAOYSA-N	0	1	396.432	0.938	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1	ZINC000747818387	1205668362	/nfs/dbraw/zinc/66/83/62/1205668362.db2.gz	OOGUTAPYRFBFMX-UHFFFAOYSA-N	0	1	384.480	0.352	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1	ZINC000747818634	1205668405	/nfs/dbraw/zinc/66/84/05/1205668405.db2.gz	XKVXJTOFDNAYRZ-WBVHZDCISA-N	0	1	377.485	0.638	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000747818428	1205668498	/nfs/dbraw/zinc/66/84/98/1205668498.db2.gz	RCFYFPHRGXWMHC-INIZCTEOSA-N	0	1	399.491	0.966	20	30		GCEDMN
CC(C)(C)c1nnc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[nH]1	ZINC000814354377	1205690750	/nfs/dbraw/zinc/69/07/50/1205690750.db2.gz	JRQPWQLVVKWWIJ-UHFFFAOYSA-N	0	1	377.426	0.996	20	30		GCEDMN
CC(C)(C)c1nc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n[nH]1	ZINC000814354377	1205690751	/nfs/dbraw/zinc/69/07/51/1205690751.db2.gz	JRQPWQLVVKWWIJ-UHFFFAOYSA-N	0	1	377.426	0.996	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)NC2CCN(C(=O)OCC)CC2)CC1	ZINC000747965491	1205694750	/nfs/dbraw/zinc/69/47/50/1205694750.db2.gz	GLEGORRMHDNHFD-UHFFFAOYSA-N	0	1	378.473	0.185	20	30		GCEDMN
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]nc1-c1ccccc1)C2	ZINC001110162635	1205707988	/nfs/dbraw/zinc/70/79/88/1205707988.db2.gz	GGKDWUZBZZXSSA-PMPSAXMXSA-N	0	1	378.436	0.556	20	30		GCEDMN
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1	ZINC001171943412	1205710770	/nfs/dbraw/zinc/71/07/70/1205710770.db2.gz	RWHSNDUPXLVCQT-XIRDDKMYSA-N	0	1	385.468	0.457	20	30		GCEDMN
[NH3+]CCC[N@@H+](C[C@H](S)OP(=O)([O-])[O-])[C@@H]1CCC[C@H](n2ncnn2)C1	ZINC001173750213	1205727214	/nfs/dbraw/zinc/72/72/14/1205727214.db2.gz	MUXWQMWUHFOOOY-WOPDTQHZSA-N	0	1	380.411	0.173	20	30		GCEDMN
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1	ZINC001110181515	1205735807	/nfs/dbraw/zinc/73/58/07/1205735807.db2.gz	HNQKEPCIYCASQN-NEPXVJNWSA-N	0	1	382.501	0.857	20	30		GCEDMN
CC(C)C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C(=O)NO	ZINC001177093759	1205762425	/nfs/dbraw/zinc/76/24/25/1205762425.db2.gz	HATVXAMMENGDMJ-QWHCGFSZSA-N	0	1	383.449	0.882	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccnc(OCCOC)c1)c1ccn[nH]1	ZINC001177257767	1205764890	/nfs/dbraw/zinc/76/48/90/1205764890.db2.gz	YXNNAWZOHDMLEZ-JWGURIENSA-N	0	1	391.384	0.752	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(=O)c1ccc(OC)cc1)c1ccn[nH]1	ZINC001177254345	1205764981	/nfs/dbraw/zinc/76/49/81/1205764981.db2.gz	KNVZGDKNMLEVCL-XLNRJJMWSA-N	0	1	388.380	0.701	20	30		GCEDMN
C=C[C@@H]1C[C@@]1(NC(=O)C(=NOCC(=O)OCC)c1ccn[nH]1)C(=O)OCC	ZINC001177263695	1205765537	/nfs/dbraw/zinc/76/55/37/1205765537.db2.gz	ALHYNIVRXFQNJE-VHUFHTRRSA-N	0	1	378.385	0.318	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC2(C[C@H](F)CO2)CC1)c1cc[nH]n1	ZINC001177263664	1205765624	/nfs/dbraw/zinc/76/56/24/1205765624.db2.gz	ZLZWTJZWMUGJCJ-OBZJLHOISA-N	0	1	382.392	0.813	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(=O)c1ccc(O)c(O)c1)c1ccn[nH]1	ZINC001177264203	1205765964	/nfs/dbraw/zinc/76/59/64/1205765964.db2.gz	WYTHNAWRSDXTKT-PGMHBOJBSA-N	0	1	390.352	0.104	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1nc[nH]c1C#N	ZINC001182150717	1205857994	/nfs/dbraw/zinc/85/79/94/1205857994.db2.gz	PWGZENFAGRMIMF-KOLCDFICSA-N	0	1	399.429	0.574	20	30		GCEDMN
N#C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1)C(N)=O	ZINC001182541140	1205876226	/nfs/dbraw/zinc/87/62/26/1205876226.db2.gz	ALLBKYPPYZFLNE-VQTJNVASSA-N	0	1	391.475	0.867	20	30		GCEDMN
CN(C)[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)c1ccccc1	ZINC000774766233	1205912391	/nfs/dbraw/zinc/91/23/91/1205912391.db2.gz	FONNGZKLRATFPD-KRWDZBQOSA-N	0	1	380.452	0.900	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)OCCCNC(=O)C(F)(F)F)c1	ZINC000774907561	1205926282	/nfs/dbraw/zinc/92/62/82/1205926282.db2.gz	ITHFQIYOYWJOII-UHFFFAOYSA-N	0	1	392.355	0.824	20	30		GCEDMN
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O	ZINC001110366200	1205926510	/nfs/dbraw/zinc/92/65/10/1205926510.db2.gz	LYASAULSOIHNNI-JJXSEGSLSA-N	0	1	378.473	0.631	20	30		GCEDMN
COc1cc(C[N@H+]2CC[C@@H](Nc3[n-]c(=O)n(C)c(=O)c3C#N)C2)cc(OC)c1	ZINC001185707433	1205928746	/nfs/dbraw/zinc/92/87/46/1205928746.db2.gz	BDELIFHMGJTTRD-CYBMUJFWSA-N	0	1	385.424	0.649	20	30		GCEDMN
N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nc1	ZINC000775045550	1205945740	/nfs/dbraw/zinc/94/57/40/1205945740.db2.gz	UWWKCNGSENIQJS-SFHVURJKSA-N	0	1	392.463	0.872	20	30		GCEDMN
COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1	ZINC001188336725	1205979709	/nfs/dbraw/zinc/97/97/09/1205979709.db2.gz	OZVAOLFIZFWPQP-YJNKXOJESA-N	0	1	376.375	0.515	20	30		GCEDMN
COc1ccc(C(=NO)NC(=O)c2n[nH]cc2I)nc1	ZINC001189139796	1205997666	/nfs/dbraw/zinc/99/76/66/1205997666.db2.gz	WSMMTVMZLIWKAS-UHFFFAOYSA-N	0	1	387.137	0.984	20	30		GCEDMN
COc1ccnc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1C#N	ZINC001164870256	721269830	/nfs/dbraw/zinc/26/98/30/721269830.db2.gz	UZRCOYPEXIXYEM-UHFFFAOYSA-N	0	1	387.484	0.969	20	30		GCEDMN
CN1CCN(Cc2cn3c(n2)CN(c2ncnc4[nH]cc(C#N)c42)CC3)CC1	ZINC001164795877	721508365	/nfs/dbraw/zinc/50/83/65/721508365.db2.gz	OFOFWUDDVJYGAU-UHFFFAOYSA-N	0	1	377.456	0.794	20	30		GCEDMN
CCc1nc(C#N)c(C#N)nc1N1CCn2cc(CN3CCN(C)CC3)nc2C1	ZINC001164796197	721521908	/nfs/dbraw/zinc/52/19/08/721521908.db2.gz	XTSQOUDTDHWIIO-UHFFFAOYSA-N	0	1	391.483	0.746	20	30		GCEDMN
CN(C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1ccnc(-c2nn[nH]n2)n1	ZINC001571314037	946539257	/nfs/dbraw/zinc/53/92/57/946539257.db2.gz	ZRMZFJOVULYQPZ-LBPRGKRZSA-N	0	1	392.427	0.845	20	30		GCEDMN
C#CCN(C(=O)COCC=C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1	ZINC001573282553	946693276	/nfs/dbraw/zinc/69/32/76/946693276.db2.gz	KGCAQXQZVMFMRC-UHFFFAOYSA-N	0	1	381.440	0.895	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573282466	946693520	/nfs/dbraw/zinc/69/35/20/946693520.db2.gz	JFTBFZDOMLTUDZ-QWHCGFSZSA-N	0	1	383.460	0.307	20	30		GCEDMN
C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccncc2-c2nn[nH]n2)C1	ZINC001573286053	946795445	/nfs/dbraw/zinc/79/54/45/946795445.db2.gz	SLLUZSRURQURHC-RBSFLKMASA-N	0	1	383.456	0.618	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)nc1	ZINC001573287718	946846104	/nfs/dbraw/zinc/84/61/04/946846104.db2.gz	KMVHOQREBCJRBF-AWEZNQCLSA-N	0	1	389.423	0.678	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573287695	946848035	/nfs/dbraw/zinc/84/80/35/946848035.db2.gz	KFZRZBLVBUXSMY-CQSZACIVSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573287878	946848553	/nfs/dbraw/zinc/84/85/53/946848553.db2.gz	LTLRWJSMXBDKMP-SWLSCSKDSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1ccc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573288069	946855109	/nfs/dbraw/zinc/85/51/09/946855109.db2.gz	MNGAVEOWCGFNFT-UHFFFAOYSA-N	0	1	375.396	0.075	20	30		GCEDMN
C#CCOCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1	ZINC001573288338	946863190	/nfs/dbraw/zinc/86/31/90/946863190.db2.gz	UNCPQGLHNJJGLW-KGLIPLIRSA-N	0	1	384.444	0.015	20	30		GCEDMN
C=C(Br)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC001573292782	946939864	/nfs/dbraw/zinc/93/98/64/946939864.db2.gz	BUYPEUSDQQSDTI-SNVBAGLBSA-N	0	1	384.238	0.126	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001573560451	946950952	/nfs/dbraw/zinc/95/09/52/946950952.db2.gz	CQXVLGMVLLGJOE-OAHLLOKOSA-N	0	1	382.472	0.602	20	30		GCEDMN
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573561202	946959358	/nfs/dbraw/zinc/95/93/58/946959358.db2.gz	JDSIIKWFUIHYCG-YUMQZZPRSA-N	0	1	384.853	0.392	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566277	947021720	/nfs/dbraw/zinc/02/17/20/947021720.db2.gz	AJBFELLCKFAVSF-KZULUSFZSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566580	947026935	/nfs/dbraw/zinc/02/69/35/947026935.db2.gz	DIHZLSCUUMUOEJ-MEDUHNTESA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573566580	947026950	/nfs/dbraw/zinc/02/69/50/947026950.db2.gz	DIHZLSCUUMUOEJ-MEDUHNTESA-N	0	1	375.458	0.531	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573295893	947030994	/nfs/dbraw/zinc/03/09/94/947030994.db2.gz	VLGNBXDXFWIBLJ-HOCLYGCPSA-N	0	1	398.471	0.710	20	30		GCEDMN
C=C1CC(C)(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)C1	ZINC001573296266	947044405	/nfs/dbraw/zinc/04/44/05/947044405.db2.gz	MHRIYVMIJWJXQC-CYBMUJFWSA-N	0	1	384.444	0.725	20	30		GCEDMN
CCN(CC(=O)NCc1cccs1)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000825395988	947173739	/nfs/dbraw/zinc/17/37/39/947173739.db2.gz	YTPJAPIADSODFB-UHFFFAOYSA-N	0	1	399.440	0.161	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2	ZINC001573309183	947191362	/nfs/dbraw/zinc/19/13/62/947191362.db2.gz	DQLRBQYZSOKXRB-UPRAQXHNSA-N	0	1	398.471	0.849	20	30		GCEDMN
C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573309282	947195493	/nfs/dbraw/zinc/19/54/93/947195493.db2.gz	GIILIVRXLBPXRI-FZKQIMNGSA-N	0	1	386.460	0.710	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1	ZINC001573583031	947197636	/nfs/dbraw/zinc/19/76/36/947197636.db2.gz	IJQTXCPYGQNWNG-JGVFFNPUSA-N	0	1	382.837	0.458	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1	ZINC001573583034	947198042	/nfs/dbraw/zinc/19/80/42/947198042.db2.gz	IJQTXCPYGQNWNG-SFYZADRCSA-N	0	1	382.837	0.458	20	30		GCEDMN
C[C@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573583111	947200028	/nfs/dbraw/zinc/20/00/28/947200028.db2.gz	JMNGXIIJFMRNPD-GFCCVEGCSA-N	0	1	388.501	0.758	20	30		GCEDMN
C[C@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573583111	947200038	/nfs/dbraw/zinc/20/00/38/947200038.db2.gz	JMNGXIIJFMRNPD-GFCCVEGCSA-N	0	1	388.501	0.758	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2	ZINC001573310358	947221108	/nfs/dbraw/zinc/22/11/08/947221108.db2.gz	WXHMVMZCUKYMLF-YVEFUNNKSA-N	0	1	384.444	0.459	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2	ZINC001573310354	947221658	/nfs/dbraw/zinc/22/16/58/947221658.db2.gz	WXHMVMZCUKYMLF-PXAZEXFGSA-N	0	1	384.444	0.459	20	30		GCEDMN
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O	ZINC001573336360	947505250	/nfs/dbraw/zinc/50/52/50/947505250.db2.gz	NAOUWEOROZWHLK-XKQJLSEDSA-N	0	1	386.456	0.509	20	30		GCEDMN
C=CCCOCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CCO1	ZINC001573336805	947511854	/nfs/dbraw/zinc/51/18/54/947511854.db2.gz	RKDQMOVYGPHHRP-CQSZACIVSA-N	0	1	387.444	0.484	20	30		GCEDMN
COc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)c3C#N)CC2)cc1	ZINC000826209884	947614023	/nfs/dbraw/zinc/61/40/23/947614023.db2.gz	VMHUYFCAWABWPI-UHFFFAOYSA-N	0	1	393.411	0.292	20	30		GCEDMN
C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573616568	947624820	/nfs/dbraw/zinc/62/48/20/947624820.db2.gz	JIYREXFNJFMLEH-IUODEOHRSA-N	0	1	392.427	0.628	20	30		GCEDMN
C[C@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)n1cnc(-c2nn[nH]n2)n1	ZINC001573622651	947683536	/nfs/dbraw/zinc/68/35/36/947683536.db2.gz	CCIDWIFRSVWTGL-GFCCVEGCSA-N	0	1	392.427	0.994	20	30		GCEDMN
Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1	ZINC000826290282	947843948	/nfs/dbraw/zinc/84/39/48/947843948.db2.gz	HXFZYTINYBJXML-UHFFFAOYSA-N	0	1	379.384	0.340	20	30		GCEDMN
C[C@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573643104	947864045	/nfs/dbraw/zinc/86/40/45/947864045.db2.gz	UEMMXSMKDGCUQX-RISCZKNCSA-N	0	1	379.384	0.491	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000826383323	948181573	/nfs/dbraw/zinc/18/15/73/948181573.db2.gz	VIVMNQYTPPAONW-UHFFFAOYSA-N	0	1	395.339	0.054	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000826383401	948181881	/nfs/dbraw/zinc/18/18/81/948181881.db2.gz	YYAUYQAIQTWFIZ-UHFFFAOYSA-N	0	1	377.368	0.466	20	30		GCEDMN
CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(C#N)[nH]1	ZINC001573818163	949723903	/nfs/dbraw/zinc/72/39/03/949723903.db2.gz	HIFGWIJLTDTVGC-GFCCVEGCSA-N	0	1	380.416	0.535	20	30		GCEDMN
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575886589	949886067	/nfs/dbraw/zinc/88/60/67/949886067.db2.gz	MYPYRQYKSCLMMF-PWSUYJOCSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575892086	950046843	/nfs/dbraw/zinc/04/68/43/950046843.db2.gz	RHHSQRDIHDNLLF-JQWIXIFHSA-N	0	1	378.400	0.644	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC[C@@](O)(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573853414	950320202	/nfs/dbraw/zinc/32/02/02/950320202.db2.gz	OOYPVDPLIHORGP-MRXNPFEDSA-N	0	1	387.404	0.312	20	30		GCEDMN
N#Cc1ncc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1-c1nnn[n-]1	ZINC001571128168	952564797	/nfs/dbraw/zinc/56/47/97/952564797.db2.gz	PPIDHLMMQAWJHF-CQSZACIVSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1ncc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nc1-c1nn[n-]n1	ZINC001571128168	952564798	/nfs/dbraw/zinc/56/47/98/952564798.db2.gz	PPIDHLMMQAWJHF-CQSZACIVSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1ncc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1-c1nn[n-]n1	ZINC001571128168	952564799	/nfs/dbraw/zinc/56/47/99/952564799.db2.gz	PPIDHLMMQAWJHF-CQSZACIVSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1ncc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nc1-c1nnn[n-]1	ZINC001571128167	952565281	/nfs/dbraw/zinc/56/52/81/952565281.db2.gz	PPIDHLMMQAWJHF-AWEZNQCLSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1ncc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nc1-c1nn[n-]n1	ZINC001571128167	952565287	/nfs/dbraw/zinc/56/52/87/952565287.db2.gz	PPIDHLMMQAWJHF-AWEZNQCLSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1ncc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nc1-c1nn[n-]n1	ZINC001571128167	952565291	/nfs/dbraw/zinc/56/52/91/952565291.db2.gz	PPIDHLMMQAWJHF-AWEZNQCLSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1ncc(NCc2ccc(OCC(F)(F)F)nn2)nc1-c1nn[nH]n1	ZINC001571129924	952577400	/nfs/dbraw/zinc/57/74/00/952577400.db2.gz	LPEASBJTVQWFAA-UHFFFAOYSA-N	0	1	378.278	0.872	20	30		GCEDMN
N#Cc1cc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c[nH]1	ZINC001571135977	952610983	/nfs/dbraw/zinc/61/09/83/952610983.db2.gz	JOZFIVZAYGKFDJ-CYBMUJFWSA-N	0	1	378.400	0.385	20	30		GCEDMN
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001594602542	956148521	/nfs/dbraw/zinc/14/85/21/956148521.db2.gz	XOXNLUCUPHYRTA-DYVFJYSZSA-N	0	1	378.454	0.290	20	30		GCEDMN
N#Cc1cccc(CNC(=O)C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1	ZINC001594625704	956311774	/nfs/dbraw/zinc/31/17/74/956311774.db2.gz	NJXMLLVMDLHQID-MRXNPFEDSA-N	0	1	384.436	0.572	20	30		GCEDMN
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)cn1	ZINC001605488206	973615657	/nfs/dbraw/zinc/61/56/57/973615657.db2.gz	FUAKHSKYBXMVIC-INMHGKMJSA-N	0	1	376.457	0.982	20	30		GCEDMN
C#CCNS(=O)(=O)N1CC[NH+](Cc2ccnc3c(C(=O)[O-])cccc23)CC1	ZINC001588486245	983526934	/nfs/dbraw/zinc/52/69/34/983526934.db2.gz	ODNYYVZTYRFABZ-UHFFFAOYSA-N	0	1	388.449	0.518	20	30		GCEDMN
C#CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588504001	983546156	/nfs/dbraw/zinc/54/61/56/983546156.db2.gz	CVSKKWQDJRXSFS-FQEVSTJZSA-N	0	1	387.436	0.770	20	30		GCEDMN
C=CC[C@H](C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1	ZINC001588729583	983991404	/nfs/dbraw/zinc/99/14/04/983991404.db2.gz	LBMGMLKWQKKVIG-CQSZACIVSA-N	0	1	395.437	0.353	20	30		GCEDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001594514614	985844724	/nfs/dbraw/zinc/84/47/24/985844724.db2.gz	ZKRKUTSEZGYGLV-HOCLYGCPSA-N	0	1	384.436	0.919	20	30		GCEDMN
C[N@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H](C(=O)[O-])C1	ZINC001598603159	993597193	/nfs/dbraw/zinc/59/71/93/993597193.db2.gz	BENCTYSKGOWYTQ-ZDUSSCGKSA-N	0	1	375.429	0.528	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774859	995919393	/nfs/dbraw/zinc/91/93/93/995919393.db2.gz	GJQUNUWQBXDZTA-CHWSQXEVSA-N	0	1	381.410	0.065	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774859	995919399	/nfs/dbraw/zinc/91/93/99/995919399.db2.gz	GJQUNUWQBXDZTA-CHWSQXEVSA-N	0	1	381.410	0.065	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778901	995961067	/nfs/dbraw/zinc/96/10/67/995961067.db2.gz	QEXIHFZOQWBJBR-HIFRSBDPSA-N	0	1	380.422	0.670	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC001598778901	995961070	/nfs/dbraw/zinc/96/10/70/995961070.db2.gz	QEXIHFZOQWBJBR-HIFRSBDPSA-N	0	1	380.422	0.670	20	30		GCEDMN
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786033	996030171	/nfs/dbraw/zinc/03/01/71/996030171.db2.gz	XPHUXOLPPKPZBZ-WFASDCNBSA-N	0	1	384.392	0.758	20	30		GCEDMN
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786033	996030176	/nfs/dbraw/zinc/03/01/76/996030176.db2.gz	XPHUXOLPPKPZBZ-WFASDCNBSA-N	0	1	384.392	0.758	20	30		GCEDMN
COC[C@@]1(C(=O)[O-])CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001599188806	997081890	/nfs/dbraw/zinc/08/18/90/997081890.db2.gz	SYAADKSCXIPPFA-QFBILLFUSA-N	0	1	380.489	0.634	20	30		GCEDMN
COC[C@@]1(C(=O)[O-])CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001599188806	997081904	/nfs/dbraw/zinc/08/19/04/997081904.db2.gz	SYAADKSCXIPPFA-QFBILLFUSA-N	0	1	380.489	0.634	20	30		GCEDMN
C[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)C#N)c1)N(C)C	ZINC000570343981	530318362	/nfs/dbraw/zinc/31/83/62/530318362.db2.gz	PSFLOUXVOZCZJD-LBPRGKRZSA-N	0	1	388.515	0.495	20	30		GCEDMN
N#Cc1cc(S(=O)(=O)NCC(=O)N2CCNCC2)ccc1C(F)(F)F	ZINC000582965024	530332370	/nfs/dbraw/zinc/33/23/70/530332370.db2.gz	ZXEPIYQGWFCDJH-UHFFFAOYSA-N	0	1	376.360	0.287	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)cc1C(F)(F)F	ZINC000566215720	530372583	/nfs/dbraw/zinc/37/25/83/530372583.db2.gz	YJNMDAPAABTBOC-UHFFFAOYSA-N	0	1	376.360	0.287	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)c(C)cn1	ZINC000582072953	530376136	/nfs/dbraw/zinc/37/61/36/530376136.db2.gz	NYYPPQYWOGQIOQ-GFCCVEGCSA-N	0	1	388.515	0.673	20	30		GCEDMN
COc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1	ZINC000594637385	530437583	/nfs/dbraw/zinc/43/75/83/530437583.db2.gz	OPARIMNDXYQRLV-UHFFFAOYSA-N	0	1	388.471	0.397	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1	ZINC000571762250	530508154	/nfs/dbraw/zinc/50/81/54/530508154.db2.gz	DXIIWWBSZKBDOO-ZDUSSCGKSA-N	0	1	380.367	0.812	20	30		GCEDMN
CC[C@@H](C#N)S(=O)(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000416935585	530515501	/nfs/dbraw/zinc/51/55/01/530515501.db2.gz	AXCNIKNRGWMUCC-LBPRGKRZSA-N	0	1	391.446	0.890	20	30		GCEDMN
CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nn[nH]n1	ZINC000609532031	530518254	/nfs/dbraw/zinc/51/82/54/530518254.db2.gz	DYGNNQDVEGIHHB-UHFFFAOYSA-N	0	1	381.190	0.928	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1	ZINC000566634989	530532822	/nfs/dbraw/zinc/53/28/22/530532822.db2.gz	KEAYDAOSUIUEJH-UHFFFAOYSA-N	0	1	381.801	0.805	20	30		GCEDMN
CC(C)(O)CN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1	ZINC000330955142	530534290	/nfs/dbraw/zinc/53/42/90/530534290.db2.gz	MNAQKMPDZVSBSI-UHFFFAOYSA-N	0	1	375.516	0.954	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@@H]1C	ZINC000330957989	530534343	/nfs/dbraw/zinc/53/43/43/530534343.db2.gz	NYZYZOGBKXNPTE-RYUDHWBXSA-N	0	1	375.516	0.953	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cnc[nH]1	ZINC000568254015	530555965	/nfs/dbraw/zinc/55/59/65/530555965.db2.gz	JENCKRVUHIEQBF-NEPJUHHUSA-N	0	1	378.476	0.195	20	30		GCEDMN
CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1	ZINC000576411454	530608263	/nfs/dbraw/zinc/60/82/63/530608263.db2.gz	RPJKNWNAXSIRHF-ZDUSSCGKSA-N	0	1	388.515	0.449	20	30		GCEDMN
CC[C@@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1	ZINC000349474928	530646445	/nfs/dbraw/zinc/64/64/45/530646445.db2.gz	DONBEAQREOPTIY-CQSZACIVSA-N	0	1	392.547	0.098	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)c1C	ZINC000349475396	530646991	/nfs/dbraw/zinc/64/69/91/530646991.db2.gz	MRRQVTLXHQDCLQ-UHFFFAOYSA-N	0	1	375.476	0.334	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C#N)ccn1	ZINC000349492460	530655221	/nfs/dbraw/zinc/65/52/21/530655221.db2.gz	LEAMCVNGDLDRNM-UHFFFAOYSA-N	0	1	388.515	0.755	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ccnc(C)c1	ZINC000349532836	530676476	/nfs/dbraw/zinc/67/64/76/530676476.db2.gz	CVQOCSLASJXMRY-CABCVRRESA-N	0	1	389.499	0.207	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000510754630	530819279	/nfs/dbraw/zinc/81/92/79/530819279.db2.gz	VQXXFDGRSBTLPZ-HZPDHXFCSA-N	0	1	385.511	0.782	20	30		GCEDMN
CN1CCN(CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000416471522	530846719	/nfs/dbraw/zinc/84/67/19/530846719.db2.gz	KSEAGHQVLRGCAQ-UHFFFAOYSA-N	0	1	387.303	0.846	20	30		GCEDMN
N#Cc1cnn(C2CCCC2)c1NS(=O)(=O)CCCCS(N)(=O)=O	ZINC000349604827	530907721	/nfs/dbraw/zinc/90/77/21/530907721.db2.gz	WJFJHJLCHJKOLI-UHFFFAOYSA-N	0	1	375.476	0.680	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)NC1CCC1	ZINC000349608262	530910802	/nfs/dbraw/zinc/91/08/02/530910802.db2.gz	XCFQCRUPGWYBIR-UHFFFAOYSA-N	0	1	375.476	0.378	20	30		GCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1	ZINC000564102973	530947844	/nfs/dbraw/zinc/94/78/44/530947844.db2.gz	WRZIIAVZWIDZSS-LBPRGKRZSA-N	0	1	388.515	0.495	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000737705102	599221118	/nfs/dbraw/zinc/22/11/18/599221118.db2.gz	KFYYRPVTNKMRDD-UHFFFAOYSA-N	0	1	396.327	0.423	20	30		GCEDMN
N#CCCN(CCC#N)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21	ZINC000737686935	598503042	/nfs/dbraw/zinc/50/30/42/598503042.db2.gz	NDKCOQUTBRASLB-UHFFFAOYSA-N	0	1	376.380	0.838	20	30		GCEDMN
CC[NH+]1CCN(c2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cc2)CC1	ZINC000821276395	599313994	/nfs/dbraw/zinc/31/39/94/599313994.db2.gz	KUXWEAZCFAUMOW-UHFFFAOYSA-N	0	1	392.427	0.856	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c1	ZINC000833375582	605104019	/nfs/dbraw/zinc/10/40/19/605104019.db2.gz	GMZNXZVMUYMTAC-CQSZACIVSA-N	0	1	395.481	0.772	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1	ZINC000833364209	605112892	/nfs/dbraw/zinc/11/28/92/605112892.db2.gz	LMEXKJVTBFWZQA-AWEZNQCLSA-N	0	1	393.465	0.219	20	30		GCEDMN
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1	ZINC000822800932	606655784	/nfs/dbraw/zinc/65/57/84/606655784.db2.gz	AZYTUTFGTGXFIK-AWEZNQCLSA-N	0	1	396.390	0.006	20	30		GCEDMN
N#Cc1ccc([C@@H](O)CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1	ZINC000822825433	606849478	/nfs/dbraw/zinc/84/94/78/606849478.db2.gz	FQRONCOIUUUBIZ-KRWDZBQOSA-N	0	1	376.424	0.989	20	30		GCEDMN
N#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1Br	ZINC000822801159	607216946	/nfs/dbraw/zinc/21/69/46/607216946.db2.gz	FLWFTIUYZBBAGJ-JTQLQIEISA-N	0	1	388.189	0.602	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1csc(-c2ccc(C(N)=O)cc2)n1	ZINC000822815480	607236897	/nfs/dbraw/zinc/23/68/97/607236897.db2.gz	RJUSQLKVFGUTGU-UHFFFAOYSA-N	0	1	392.408	0.788	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OCC#N)c2)c1-c1nnn[n-]1	ZINC000826077603	608022061	/nfs/dbraw/zinc/02/20/61/608022061.db2.gz	OHAWMQQPZUQWCV-UHFFFAOYSA-N	0	1	395.427	0.825	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OCC#N)c2)c1-c1nn[n-]n1	ZINC000826077603	608022062	/nfs/dbraw/zinc/02/20/62/608022062.db2.gz	OHAWMQQPZUQWCV-UHFFFAOYSA-N	0	1	395.427	0.825	20	30		GCEDMN
Cc1ccsc1-c1nnc(NC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)o1	ZINC000826315687	609174950	/nfs/dbraw/zinc/17/49/50/609174950.db2.gz	PYMNEMZDEPYCJK-UHFFFAOYSA-N	0	1	397.384	0.576	20	30		GCEDMN
Cc1c(C=NNC2=NC[C@H](C)N2)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1	ZINC000826235220	609519516	/nfs/dbraw/zinc/51/95/16/609519516.db2.gz	FPHRAEZPGNWTDI-VIFPVBQESA-N	0	1	390.411	0.541	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1	ZINC000328774996	638494162	/nfs/dbraw/zinc/49/41/62/638494162.db2.gz	FBMYFIXEAZTRLT-LSDHHAIUSA-N	0	1	376.523	0.128	20	30		GCEDMN
CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1	ZINC000915421766	639788574	/nfs/dbraw/zinc/78/85/74/639788574.db2.gz	FHWINUMUVGJZHK-JTQLQIEISA-N	0	1	382.423	0.721	20	30		GCEDMN
CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1	ZINC000915421766	639788578	/nfs/dbraw/zinc/78/85/78/639788578.db2.gz	FHWINUMUVGJZHK-JTQLQIEISA-N	0	1	382.423	0.721	20	30		GCEDMN
COc1ncnc(N)c1C=[NH+][N-]c1ncnc2c1c(Br)nn2C	ZINC000747630435	640313697	/nfs/dbraw/zinc/31/36/97/640313697.db2.gz	OMSZSKWSWOGNLI-UHFFFAOYSA-N	0	1	378.194	0.953	20	30		GCEDMN
CC(N=Nc1cnn(C)c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000761868626	640596938	/nfs/dbraw/zinc/59/69/38/640596938.db2.gz	IHMPPOFUXRWEJS-UHFFFAOYSA-N	0	1	385.471	0.982	20	30		GCEDMN
CC(C)CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccs1	ZINC000771891339	640835510	/nfs/dbraw/zinc/83/55/10/640835510.db2.gz	MNZIMAWJAVHZBB-UHFFFAOYSA-N	0	1	384.483	0.874	20	30		GCEDMN
C=C(Br)CNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1	ZINC000786625901	641334755	/nfs/dbraw/zinc/33/47/55/641334755.db2.gz	HMVMRSAOEGLCKN-CYBMUJFWSA-N	0	1	375.311	0.399	20	30		GCEDMN
C=C(Br)CNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1	ZINC000787201749	641346983	/nfs/dbraw/zinc/34/69/83/641346983.db2.gz	ZULRADGGTUUQKL-UHFFFAOYSA-N	0	1	396.289	0.474	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCC(F)(F)CC1	ZINC000788719598	641376801	/nfs/dbraw/zinc/37/68/01/641376801.db2.gz	AMBUWABTJNVHJZ-UHFFFAOYSA-N	0	1	378.401	0.564	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN(C)CCN2C)s1	ZINC000874458541	641525912	/nfs/dbraw/zinc/52/59/12/641525912.db2.gz	VTEFBEZVJUFUCT-CYBMUJFWSA-N	0	1	386.543	0.117	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(F)cccc1Cl	ZINC000807978783	641677678	/nfs/dbraw/zinc/67/76/78/641677678.db2.gz	CKJZRTPDAHFMCX-UHFFFAOYSA-N	0	1	388.808	0.579	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NN=c2ccc(S(=O)(=O)NC3CC3)c[nH]2)o1	ZINC000808075607	641679871	/nfs/dbraw/zinc/67/98/71/641679871.db2.gz	UEPAJNQOFBUBDI-UHFFFAOYSA-N	0	1	383.411	0.292	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ncc(C(C)(C)C)s2)c(=O)n(C)c1=O	ZINC000814883257	641814278	/nfs/dbraw/zinc/81/42/78/641814278.db2.gz	GUWYJELFSHNRBO-UHFFFAOYSA-N	0	1	385.471	0.150	20	30		GCEDMN
N#Cc1ccc(OCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1Br	ZINC000825764703	642052471	/nfs/dbraw/zinc/05/24/71/642052471.db2.gz	LWJYQKRUMHHLOQ-LBPRGKRZSA-N	0	1	393.201	0.813	20	30		GCEDMN
N#Cc1ccc(OCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1Br	ZINC000825764702	642052654	/nfs/dbraw/zinc/05/26/54/642052654.db2.gz	LWJYQKRUMHHLOQ-GFCCVEGCSA-N	0	1	393.201	0.813	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cn2cc(Br)ccc2n1	ZINC000826383101	642057449	/nfs/dbraw/zinc/05/74/49/642057449.db2.gz	KEOBUDVRPQPOLT-UHFFFAOYSA-N	0	1	385.189	0.976	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc2ncc(I)n2c1	ZINC000834480507	642212982	/nfs/dbraw/zinc/21/29/82/642212982.db2.gz	RCIZLQGZJIDKRG-VHSXEESVSA-N	0	1	381.177	0.780	20	30		GCEDMN
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834500121	642213552	/nfs/dbraw/zinc/21/35/52/642213552.db2.gz	QJJOSDGTFMLKEU-YGRLFVJLSA-N	0	1	386.861	0.106	20	30		GCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000834501086	642213849	/nfs/dbraw/zinc/21/38/49/642213849.db2.gz	ZHIFUUCZJRSMQL-ZDMBXUJBSA-N	0	1	391.225	0.661	20	30		GCEDMN
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834504473	642213918	/nfs/dbraw/zinc/21/39/18/642213918.db2.gz	BTLKIRSTAFCBBK-AEGPPILISA-N	0	1	382.511	0.314	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CNC[C@H]3C#N)C2)s1	ZINC000834516647	642214538	/nfs/dbraw/zinc/21/45/38/642214538.db2.gz	KHSZWPZKFJAKKZ-MJBXVCDLSA-N	0	1	382.511	0.685	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000834521602	642214636	/nfs/dbraw/zinc/21/46/36/642214636.db2.gz	OAAJNRORVGQTQP-MWLCHTKSSA-N	0	1	379.214	0.402	20	30		GCEDMN
C#CCCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000840951907	642289188	/nfs/dbraw/zinc/28/91/88/642289188.db2.gz	MRJYFCSCSZYUOY-UHFFFAOYSA-N	0	1	385.511	0.361	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F	ZINC000843461128	642370132	/nfs/dbraw/zinc/37/01/32/642370132.db2.gz	SFDHFGMGOHUZCC-GXSJLCMTSA-N	0	1	376.360	0.211	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1	ZINC000843461853	642370806	/nfs/dbraw/zinc/37/08/06/642370806.db2.gz	NSGDMXIDKVFMTA-AAEUAGOBSA-N	0	1	386.271	0.592	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1	ZINC000843461749	642371093	/nfs/dbraw/zinc/37/10/93/642371093.db2.gz	NBNWTCUYOLZCCP-MNOVXSKESA-N	0	1	386.524	0.327	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848960788	642583011	/nfs/dbraw/zinc/58/30/11/642583011.db2.gz	IVCXMYHCTRGOED-SNVBAGLBSA-N	0	1	380.879	0.545	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C(C)C)[nH]n1	ZINC000848961291	642585027	/nfs/dbraw/zinc/58/50/27/642585027.db2.gz	TUQSLHDDWSWYDG-GFCCVEGCSA-N	0	1	376.504	0.948	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1	ZINC000848961637	642586541	/nfs/dbraw/zinc/58/65/41/642586541.db2.gz	HOOOFQHTMUBGFA-ZDUSSCGKSA-N	0	1	390.487	0.288	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848962689	642590502	/nfs/dbraw/zinc/59/05/02/642590502.db2.gz	OTTQFTNINCYLQE-SNVBAGLBSA-N	0	1	395.894	0.683	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000848965112	642602097	/nfs/dbraw/zinc/60/20/97/642602097.db2.gz	IKUYNZQETSWLMF-JTQLQIEISA-N	0	1	390.443	0.371	20	30		GCEDMN
CCOC(=O)[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H](O)c1ccc(Cl)cc1	ZINC000859242918	642989639	/nfs/dbraw/zinc/98/96/39/642989639.db2.gz	PRJCWUPASISPRP-KGLIPLIRSA-N	0	1	389.861	0.985	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000662166837	1192251323	/nfs/dbraw/zinc/25/13/23/1192251323.db2.gz	JBSZBFMROQEJLS-CQSZACIVSA-N	0	1	387.440	0.069	20	30		GCEDMN
N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1	ZINC000585728715	1192397842	/nfs/dbraw/zinc/39/78/42/1192397842.db2.gz	FMAFQIWJDBREKZ-LJQANCHMSA-N	0	1	383.496	0.871	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)c1cc[nH]n1	ZINC000279624155	1192565708	/nfs/dbraw/zinc/56/57/08/1192565708.db2.gz	HZAZSTWYTXQUGJ-KPXFPHAQSA-N	0	1	394.428	0.488	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)c1cc[nH]n1	ZINC000279624141	1192565763	/nfs/dbraw/zinc/56/57/63/1192565763.db2.gz	HZAZSTWYTXQUGJ-GTSNQNOTSA-N	0	1	394.428	0.488	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](C)N1	ZINC000418857632	1192670140	/nfs/dbraw/zinc/67/01/40/1192670140.db2.gz	SMLULZAFIUXKQJ-IJEWVQPXSA-N	0	1	387.459	0.991	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)N1	ZINC000418908185	1192686555	/nfs/dbraw/zinc/68/65/55/1192686555.db2.gz	MKLUTUGRSYFRKO-CKEIUWERSA-N	0	1	383.452	0.379	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000418908830	1192686716	/nfs/dbraw/zinc/68/67/16/1192686716.db2.gz	NKLCABJJSXINEQ-MSOLQXFVSA-N	0	1	397.479	0.770	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)CN1	ZINC000418914647	1192687647	/nfs/dbraw/zinc/68/76/47/1192687647.db2.gz	UDDQWYYISDPGPB-JKIFEVAISA-N	0	1	383.452	0.379	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1	ZINC000418916582	1192688806	/nfs/dbraw/zinc/68/88/06/1192688806.db2.gz	WYSMSHXVRSXLRI-INIZCTEOSA-N	0	1	383.452	0.380	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)c1cc[nH]n1	ZINC000279929329	1192838459	/nfs/dbraw/zinc/83/84/59/1192838459.db2.gz	BZMAVSUBQYRDEP-INEFXRIRSA-N	0	1	380.401	0.100	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000274777311	1184297953	/nfs/dbraw/zinc/29/79/53/1184297953.db2.gz	NAYBTNASQOGULY-WDEREUQCSA-N	0	1	377.430	0.000	20	30		GCEDMN
C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1O	ZINC000969412289	1184299078	/nfs/dbraw/zinc/29/90/78/1184299078.db2.gz	ARXUGVVKWMQYJS-RWQQGDIJSA-N	0	1	378.432	0.425	20	30		GCEDMN
C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)ccc1F	ZINC000274802368	1184333417	/nfs/dbraw/zinc/33/34/17/1184333417.db2.gz	SRWRLVUNKUYGNX-JTQLQIEISA-N	0	1	382.421	0.679	20	30		GCEDMN
C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@H]2C1	ZINC001083191317	1184361464	/nfs/dbraw/zinc/36/14/64/1184361464.db2.gz	TYSQYSLBFLKBRO-XWTMOSNGSA-N	0	1	377.485	0.644	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1	ZINC000888997350	1184484067	/nfs/dbraw/zinc/48/40/67/1184484067.db2.gz	AKNHILXHDQQNBP-UHFFFAOYSA-N	0	1	393.513	0.198	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1	ZINC000430371970	1184622278	/nfs/dbraw/zinc/62/22/78/1184622278.db2.gz	RAOAQNJZKCORCT-KURKYZTESA-N	0	1	379.501	0.655	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1	ZINC000275395041	1184650675	/nfs/dbraw/zinc/65/06/75/1184650675.db2.gz	DDXHIIUWBFORMG-HNNXBMFYSA-N	0	1	393.509	0.515	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1	ZINC000430398989	1184657385	/nfs/dbraw/zinc/65/73/85/1184657385.db2.gz	DZAPKMYEKGZWEI-RYRKJORJSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000430402617	1184661094	/nfs/dbraw/zinc/66/10/94/1184661094.db2.gz	MTQNWXABTGVCFM-JZXOWHBKSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000430409216	1184680991	/nfs/dbraw/zinc/68/09/91/1184680991.db2.gz	MTQNWXABTGVCFM-RYRKJORJSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](N2CCN(CC)CC2)C1	ZINC000430411424	1184684499	/nfs/dbraw/zinc/68/44/99/1184684499.db2.gz	FKYRUVZDLKWCAL-BZSNNMDCSA-N	0	1	378.517	0.322	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H](O)C2)CC1	ZINC000970702250	1184974207	/nfs/dbraw/zinc/97/42/07/1184974207.db2.gz	NVUXPWRKZYHLFA-MKXGPGLRSA-N	0	1	375.513	0.702	20	30		GCEDMN
C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)C[C@H]32)nn1	ZINC001021690519	1185297053	/nfs/dbraw/zinc/29/70/53/1185297053.db2.gz	CNZAKPNCJOMVDL-ZOMKSWQUSA-N	0	1	381.440	0.664	20	30		GCEDMN
CC(C)c1nc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n[nH]1	ZINC000580784888	1185359540	/nfs/dbraw/zinc/35/95/40/1185359540.db2.gz	GEVNERWIVXUCEQ-UHFFFAOYSA-N	0	1	398.470	0.208	20	30		GCEDMN
N#Cc1ncn(CCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)n1	ZINC000580851002	1185395719	/nfs/dbraw/zinc/39/57/19/1185395719.db2.gz	ZQQSJNVHOJKHCO-HNNXBMFYSA-N	0	1	384.444	0.297	20	30		GCEDMN
C#CCCN1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1	ZINC000276194538	1185672951	/nfs/dbraw/zinc/67/29/51/1185672951.db2.gz	HWWHSIJKUXYBNS-UHFFFAOYSA-N	0	1	376.482	0.098	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4OCCO[C@H]4C)[C@@H]3C2)CC1	ZINC001022006625	1185746292	/nfs/dbraw/zinc/74/62/92/1185746292.db2.gz	RDKUAYQILDYXRF-KANFNMMFSA-N	0	1	389.496	0.195	20	30		GCEDMN
C[C@]1(c2ccc(CNCc3cnc4c(C#N)cnn4c3)cc2)NC(=O)NC1=O	ZINC000581655112	1185815846	/nfs/dbraw/zinc/81/58/46/1185815846.db2.gz	SRJGCSVAACBXTQ-LJQANCHMSA-N	0	1	375.392	0.945	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@](C)(O)c1cc(C)oc1C)c1ccn[nH]1	ZINC000276518868	1185858251	/nfs/dbraw/zinc/85/82/51/1185858251.db2.gz	CFTBVJVNVVNPRX-RMDTYCCRSA-N	0	1	392.412	0.927	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F)c1cc[nH]n1	ZINC000276544459	1185882397	/nfs/dbraw/zinc/88/23/97/1185882397.db2.gz	GRYMIEJJDLVOIT-INFNMSJLSA-N	0	1	392.334	0.608	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(OC)cc1)c1ccn[nH]1	ZINC000276551635	1185891513	/nfs/dbraw/zinc/89/15/13/1185891513.db2.gz	HVPJHAPCBIMVQL-GBPUDXIESA-N	0	1	390.396	0.552	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCN(C)CC(F)(F)F)c1ccn[nH]1	ZINC000276559680	1185899707	/nfs/dbraw/zinc/89/97/07/1185899707.db2.gz	IWVXMJFPXPMFGD-LPYMAVHISA-N	0	1	393.366	0.694	20	30		GCEDMN
CN1CCN(C[C@@H](NC(=O)NCCn2cnc(C#N)n2)c2ccccc2)CC1	ZINC000561577733	1185913205	/nfs/dbraw/zinc/91/32/05/1185913205.db2.gz	OSFPXFQFLURIEN-QGZVFWFLSA-N	0	1	382.472	0.438	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(=O)N1CCc2ccccc21)c1ccn[nH]1	ZINC000276594705	1185920013	/nfs/dbraw/zinc/92/00/13/1185920013.db2.gz	NPAARAGYPNBSRZ-PTGBLXJZSA-N	0	1	399.407	0.399	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCNC(=O)OC(C)(C)C)c1ccn[nH]1	ZINC000276606498	1185926550	/nfs/dbraw/zinc/92/65/50/1185926550.db2.gz	OZCHSEQKMLXGEZ-HYARGMPZSA-N	0	1	397.432	0.725	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCOC[C@H]1CCCO1)c1ccn[nH]1	ZINC000276622437	1185932181	/nfs/dbraw/zinc/93/21/81/1185932181.db2.gz	RESKVSXZSDZRFW-IQQDNESTSA-N	0	1	382.417	0.395	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(c2nc(C)no2)CC1)c1cc[nH]n1	ZINC000276668397	1185943377	/nfs/dbraw/zinc/94/33/77/1185943377.db2.gz	YZPZFXPWJIXJCD-PXLXIMEGSA-N	0	1	390.400	0.791	20	30		GCEDMN
CC[C@]1(CO)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000187621941	1185994150	/nfs/dbraw/zinc/99/41/50/1185994150.db2.gz	HKDXFIPJTDTBFB-IBGZPJMESA-N	0	1	375.473	0.988	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(NC(C)=O)cc1)c1ccn[nH]1	ZINC000276743810	1186010987	/nfs/dbraw/zinc/01/09/87/1186010987.db2.gz	VDHZMJFCZLKOMR-HAVVHWLPSA-N	0	1	387.396	0.968	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)NC2CCN(CC#N)CC2)CC1	ZINC000610573853	1186017214	/nfs/dbraw/zinc/01/72/14/1186017214.db2.gz	YNXGAWMQLUGWRJ-UHFFFAOYSA-N	0	1	392.548	0.900	20	30		GCEDMN
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CCCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000092618591	1186173961	/nfs/dbraw/zinc/17/39/61/1186173961.db2.gz	CMBXYDGGSGOREK-SFHVURJKSA-N	0	1	377.533	0.917	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000431204412	1186186944	/nfs/dbraw/zinc/18/69/44/1186186944.db2.gz	UELVJOKLBYEYPP-UHFFFAOYSA-N	0	1	389.504	1.545	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n(CCC#N)n1	ZINC000610951667	1186264409	/nfs/dbraw/zinc/26/44/09/1186264409.db2.gz	ZNPMVFHBZBWHNS-INIZCTEOSA-N	0	1	388.472	0.757	20	30		GCEDMN
C[C@@H](CCN1CCN(C)CC1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000472083479	1186335385	/nfs/dbraw/zinc/33/53/85/1186335385.db2.gz	DTUIJOGSBBCKTO-INIZCTEOSA-N	0	1	392.525	0.615	20	30		GCEDMN
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C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000582572323	1186572631	/nfs/dbraw/zinc/57/26/31/1186572631.db2.gz	OOZICNUYSYWLFB-KSSFIOAISA-N	0	1	399.470	0.945	20	30		GCEDMN
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000582572323	1186572636	/nfs/dbraw/zinc/57/26/36/1186572636.db2.gz	OOZICNUYSYWLFB-KSSFIOAISA-N	0	1	399.470	0.945	20	30		GCEDMN
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnc[nH]1	ZINC000479558602	1186578786	/nfs/dbraw/zinc/57/87/86/1186578786.db2.gz	AGCHUBYOHFILED-LBPRGKRZSA-N	0	1	388.453	0.954	20	30		GCEDMN
COC(=O)c1ccsc1N1CC[C@@H](NC[C@@H](O)CN(C)CCC#N)C1=O	ZINC000582720756	1186625437	/nfs/dbraw/zinc/62/54/37/1186625437.db2.gz	FKRBMDATPWLIEE-TZMCWYRMSA-N	0	1	380.470	0.436	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccn[nH]1	ZINC000277863613	1186654318	/nfs/dbraw/zinc/65/43/18/1186654318.db2.gz	BEBCAKHGIVECJJ-AIIKTIQNSA-N	0	1	393.444	0.457	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1cc[nH]n1	ZINC000277866173	1186654924	/nfs/dbraw/zinc/65/49/24/1186654924.db2.gz	BHIWTYCMJAYSNO-BTNWAMHGSA-N	0	1	382.417	0.882	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(OCCCOC)CC1)c1cc[nH]n1	ZINC000277896830	1186671931	/nfs/dbraw/zinc/67/19/31/1186671931.db2.gz	DWZJGJUIIBIUBY-HEHNFIMWSA-N	0	1	396.444	0.738	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CSC[C@H]1C(=O)N(C)CC)c1cc[nH]n1	ZINC000277986413	1186734555	/nfs/dbraw/zinc/73/45/55/1186734555.db2.gz	JLEZVNZFBSYHMV-PGSLAOOBSA-N	0	1	397.457	0.073	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCSC[C@@H]1CC(=O)OC)c1cc[nH]n1	ZINC000277999843	1186741095	/nfs/dbraw/zinc/74/10/95/1186741095.db2.gz	OBIDDUCOQDXAAK-BNTYZMSGSA-N	0	1	398.441	0.201	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)c1nnc2n1CCC2)c1ccn[nH]1	ZINC000278131065	1186794227	/nfs/dbraw/zinc/79/42/27/1186794227.db2.gz	MMGQWHLOCLEUCZ-ADUAYUHLSA-N	0	1	375.389	0.109	20	30		GCEDMN
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1	ZINC000583250723	1186807658	/nfs/dbraw/zinc/80/76/58/1186807658.db2.gz	SDYVFHMUQWFEGR-FUHWJXTLSA-N	0	1	379.530	0.901	20	30		GCEDMN
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000572948962	1186820702	/nfs/dbraw/zinc/82/07/02/1186820702.db2.gz	ZGBKPDVYMCOJNC-KRWDZBQOSA-N	0	1	398.511	0.838	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CO)Cc1cccc(C)c1)c1ccn[nH]1	ZINC000278274353	1186866207	/nfs/dbraw/zinc/86/62/07/1186866207.db2.gz	FNSGTLJNLOFYAS-SAZKUCFMSA-N	0	1	388.424	0.722	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1	ZINC000728570349	1186876280	/nfs/dbraw/zinc/87/62/80/1186876280.db2.gz	ABZYOEVLGJECGO-GOSISDBHSA-N	0	1	383.496	0.381	20	30		GCEDMN
COc1ccc(CN2CCCN(C(=O)Cn3cnc(C#N)cc3=O)CC2)cc1	ZINC000583563938	1186885998	/nfs/dbraw/zinc/88/59/98/1186885998.db2.gz	NTHZUOVZEXDGMQ-UHFFFAOYSA-N	0	1	381.436	0.858	20	30		GCEDMN
Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1	ZINC000135408477	1186930357	/nfs/dbraw/zinc/93/03/57/1186930357.db2.gz	URJPJKQMYPBRLC-UHFFFAOYSA-N	0	1	387.831	0.921	20	30		GCEDMN
C[C@@H]1Cc2cc(C(=O)NC[C@H]3CN(C)CCN3C)ccc2N1S(C)(=O)=O	ZINC000329486070	1186949247	/nfs/dbraw/zinc/94/92/47/1186949247.db2.gz	QYQGQZWDGPGAET-CJNGLKHVSA-N	0	1	380.514	0.948	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1	ZINC000583841344	1186949839	/nfs/dbraw/zinc/94/98/39/1186949839.db2.gz	PIAUROQTMXZHPT-GASCZTMLSA-N	0	1	394.497	0.452	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCN(CC)C(=O)C1(C)C)c1cc[nH]n1	ZINC000278473315	1186955181	/nfs/dbraw/zinc/95/51/81/1186955181.db2.gz	IPGDGXPGFHRIHC-XSFVSMFZSA-N	0	1	379.417	0.163	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCN(CC(F)F)CC1)c1cc[nH]n1	ZINC000278499494	1186961288	/nfs/dbraw/zinc/96/12/88/1186961288.db2.gz	KMBQIBQICBKRGD-RCCKNPSSSA-N	0	1	387.387	0.493	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1(C(N)=O)CCC(C)(C)CC1)c1ccn[nH]1	ZINC000278629898	1186999914	/nfs/dbraw/zinc/99/99/14/1186999914.db2.gz	MIYRDUZMXQQLPE-OEAKJJBVSA-N	0	1	393.444	0.634	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCN(CC(C)C)C(=O)C1)c1cc[nH]n1	ZINC000278650995	1187007599	/nfs/dbraw/zinc/00/75/99/1187007599.db2.gz	NMRNHPVGXODSLU-CAPFRKAQSA-N	0	1	379.417	0.020	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@H]32)CC1	ZINC000972603971	1187025439	/nfs/dbraw/zinc/02/54/39/1187025439.db2.gz	CZEAUUBDZKCWRU-WAPOTWQKSA-N	0	1	385.508	0.958	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H]1COC2(CCCC2)O1)c1ccn[nH]1	ZINC000278708608	1187027309	/nfs/dbraw/zinc/02/73/09/1187027309.db2.gz	QPXMYHCCOPMWCN-GHTHLWOPSA-N	0	1	380.401	0.495	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1O	ZINC001023916567	1187170346	/nfs/dbraw/zinc/17/03/46/1187170346.db2.gz	ZJTFBEAGLNBVTE-XFKSJGNHSA-N	0	1	393.528	0.778	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1O	ZINC001023942267	1187182298	/nfs/dbraw/zinc/18/22/98/1187182298.db2.gz	RUIUKGMFRNGYPD-HZMVEIRTSA-N	0	1	391.468	0.624	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2sccc2CN(C)C)C1	ZINC001024046260	1187224658	/nfs/dbraw/zinc/22/46/58/1187224658.db2.gz	CCPGWPRQTXRKCN-FPCVCCKLSA-N	0	1	393.509	0.702	20	30		GCEDMN
C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)C(C)C(=O)NC(N)=O	ZINC000414228740	1187776391	/nfs/dbraw/zinc/77/63/91/1187776391.db2.gz	ZMFFEEJHTGOYRS-NSHDSACASA-N	0	1	377.426	0.797	20	30		GCEDMN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000415338560	1188055326	/nfs/dbraw/zinc/05/53/26/1188055326.db2.gz	YBJUVVWSNUXHNN-MRXNPFEDSA-N	0	1	383.452	0.476	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC[C@@H]2C)cc1	ZINC000415343363	1188057285	/nfs/dbraw/zinc/05/72/85/1188057285.db2.gz	LHJAEGIFRASXGL-ZDUSSCGKSA-N	0	1	380.470	0.252	20	30		GCEDMN
N#CCOc1ccc(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000377733790	1188122923	/nfs/dbraw/zinc/12/29/23/1188122923.db2.gz	CNLBZDPBZTWRAE-GOSISDBHSA-N	0	1	387.484	0.795	20	30		GCEDMN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([S@](C)=O)CC1	ZINC000290486064	1189412519	/nfs/dbraw/zinc/41/25/19/1189412519.db2.gz	UUCBGQLVTKLCTQ-MHZLTWQESA-N	0	1	390.509	0.476	20	30		GCEDMN
COCCN1CC[C@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1	ZINC000290596738	1189419388	/nfs/dbraw/zinc/41/93/88/1189419388.db2.gz	AHIHFIHJAPCRFH-AWEZNQCLSA-N	0	1	378.502	0.876	20	30		GCEDMN
C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)CN1CCO	ZINC000416292722	1189482917	/nfs/dbraw/zinc/48/29/17/1189482917.db2.gz	IZPARHCPUSBRHH-CABCVRRESA-N	0	1	394.497	0.092	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1	ZINC000378631846	1189554301	/nfs/dbraw/zinc/55/43/01/1189554301.db2.gz	INKUDSPIKXYYTI-UHFFFAOYSA-N	0	1	379.442	0.880	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1	ZINC000378631846	1189554307	/nfs/dbraw/zinc/55/43/07/1189554307.db2.gz	INKUDSPIKXYYTI-UHFFFAOYSA-N	0	1	379.442	0.880	20	30		GCEDMN
C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000290747173	1189642408	/nfs/dbraw/zinc/64/24/08/1189642408.db2.gz	NJPZDWQOZJVTAC-CQSZACIVSA-N	0	1	394.497	0.140	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(F)c1	ZINC000124962328	1189936276	/nfs/dbraw/zinc/93/62/76/1189936276.db2.gz	LMAUJZBZNLULNV-LBPRGKRZSA-N	0	1	386.424	0.702	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1OCC	ZINC000982674027	1193870661	/nfs/dbraw/zinc/87/06/61/1193870661.db2.gz	NRBFABBUDUZTQF-TXCZRRACSA-N	0	1	376.457	0.984	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1OCC	ZINC000982765270	1193889387	/nfs/dbraw/zinc/88/93/87/1193889387.db2.gz	BMODEWCBIPDKAV-XZKMEQPCSA-N	0	1	390.484	0.913	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1OCC	ZINC000982791677	1193901619	/nfs/dbraw/zinc/90/16/19/1193901619.db2.gz	YYYVBTJJMHOBJP-LVQVYYBASA-N	0	1	391.472	0.308	20	30		GCEDMN
CCC(CC)(NC(=O)C1CN(CCC(=O)Nc2ccc(C#N)cc2)C1)C(N)=O	ZINC000513257023	1193929802	/nfs/dbraw/zinc/92/98/02/1193929802.db2.gz	OWKVBBWQEQXHNH-UHFFFAOYSA-N	0	1	385.468	0.979	20	30		GCEDMN
Cc1nc(CN2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)n[nH]1	ZINC000433672383	1193935202	/nfs/dbraw/zinc/93/52/02/1193935202.db2.gz	LWYSAQUYTWVCAC-UHFFFAOYSA-N	0	1	379.424	0.218	20	30		GCEDMN
CC(C)(CC#N)CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1	ZINC000420864521	1194271998	/nfs/dbraw/zinc/27/19/98/1194271998.db2.gz	UBODLELDOMGPFQ-UHFFFAOYSA-N	0	1	385.512	0.976	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)N2CCCN(C)CC2)c(C#N)cn1CC	ZINC000421202469	1194308728	/nfs/dbraw/zinc/30/87/28/1194308728.db2.gz	OTQLMRODMYVTMJ-UHFFFAOYSA-N	0	1	375.429	0.659	20	30		GCEDMN
CCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000422312442	1194616908	/nfs/dbraw/zinc/61/69/08/1194616908.db2.gz	SHXOTCXAJFFBND-JKSUJKDBSA-N	0	1	387.459	0.993	20	30		GCEDMN
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000423083804	1194726456	/nfs/dbraw/zinc/72/64/56/1194726456.db2.gz	HAZVQOUNVLZHDO-GOSISDBHSA-N	0	1	397.479	0.187	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1	ZINC000425286199	1194893419	/nfs/dbraw/zinc/89/34/19/1194893419.db2.gz	AJWXTGYIAIVXTK-LBPRGKRZSA-N	0	1	391.409	0.331	20	30		GCEDMN
COCC(C)(C)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000425507369	1194994797	/nfs/dbraw/zinc/99/47/97/1194994797.db2.gz	QHDLGBFHTKMOOJ-GOSISDBHSA-N	0	1	379.549	0.721	20	30		GCEDMN
CN(C)C1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1	ZINC000506022561	1195093352	/nfs/dbraw/zinc/09/33/52/1195093352.db2.gz	NTSVNWRQSKJITC-UHFFFAOYSA-N	0	1	379.482	0.700	20	30		GCEDMN
C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000516782342	1195095042	/nfs/dbraw/zinc/09/50/42/1195095042.db2.gz	OEVYTSBMSLOLAW-CQSZACIVSA-N	0	1	387.465	0.993	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)N1CC[C@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001270292340	1195177392	/nfs/dbraw/zinc/17/73/92/1195177392.db2.gz	OMJCYGFJWAGJKJ-UGSOOPFHSA-N	0	1	375.450	0.659	20	30		GCEDMN
CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270293914	1195180688	/nfs/dbraw/zinc/18/06/88/1195180688.db2.gz	QNOVQWKQPCRZOK-TZMCWYRMSA-N	0	1	375.450	0.848	20	30		GCEDMN
C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCN([C@H]2CCCN(C)C2=O)CC1	ZINC001270331855	1195207632	/nfs/dbraw/zinc/20/76/32/1195207632.db2.gz	NXZRVBADOIITKW-XUFBONQXSA-N	0	1	385.508	0.957	20	30		GCEDMN
O=C([C@H](O)C(F)(F)F)N1C[C@@]2(F)C(=O)N(CCC(F)(F)F)C[C@@]2(F)C1	ZINC001270352152	1195221617	/nfs/dbraw/zinc/22/16/17/1195221617.db2.gz	BJXPSZWBGIVPBW-WQGWLQIFSA-N	0	1	384.223	0.963	20	30		GCEDMN
C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2c(F)cccc2F)C1=O	ZINC000518268288	1195273724	/nfs/dbraw/zinc/27/37/24/1195273724.db2.gz	QDIOTXSRLNNEBS-CYBMUJFWSA-N	0	1	387.408	0.488	20	30		GCEDMN
C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000439364566	1195314363	/nfs/dbraw/zinc/31/43/63/1195314363.db2.gz	ZYFDIRIVZAHQCH-CQSZACIVSA-N	0	1	381.440	0.689	20	30		GCEDMN
Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1C#N	ZINC000427345700	1195529432	/nfs/dbraw/zinc/52/94/32/1195529432.db2.gz	PYXPAFJOPQESEX-UHFFFAOYSA-N	0	1	387.421	0.620	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1	ZINC000519711803	1195566972	/nfs/dbraw/zinc/56/69/72/1195566972.db2.gz	RKUJFZVFBNQJME-GFCCVEGCSA-N	0	1	391.409	0.331	20	30		GCEDMN
Cc1nsc(N2CCN(C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000519849427	1195577504	/nfs/dbraw/zinc/57/75/04/1195577504.db2.gz	LDFYIEGITUHECB-IJEWVQPXSA-N	0	1	379.530	0.915	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2nnc[nH]2)cc1	ZINC000441342062	1195626896	/nfs/dbraw/zinc/62/68/96/1195626896.db2.gz	XITOSUUNYFUXBU-NSHDSACASA-N	0	1	392.441	0.427	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)C1	ZINC000328670768	1195659147	/nfs/dbraw/zinc/65/91/47/1195659147.db2.gz	GRFJQQLGHPNDLN-INIZCTEOSA-N	0	1	390.550	0.518	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N3CC(NC(=O)NC)C3)cn2)CC1	ZINC000328683159	1195660346	/nfs/dbraw/zinc/66/03/46/1195660346.db2.gz	DIGAZFRQJLWCCT-UHFFFAOYSA-N	0	1	375.477	0.455	20	30		GCEDMN
Cc1cnn(C[C@@H]2CN(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)CCO2)c1	ZINC000328841139	1195670256	/nfs/dbraw/zinc/67/02/56/1195670256.db2.gz	ZIZSFQMPHKOMNI-CABCVRRESA-N	0	1	385.490	0.088	20	30		GCEDMN
CCC[C@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCN1CCOC	ZINC000330583992	1195696530	/nfs/dbraw/zinc/69/65/30/1195696530.db2.gz	WBYYYKDNWCMPRA-INIZCTEOSA-N	0	1	390.550	0.757	20	30		GCEDMN
CC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCN1C[C@H](C)O	ZINC000330662945	1195699836	/nfs/dbraw/zinc/69/98/36/1195699836.db2.gz	WSIBWOUCONFULW-DZGCQCFKSA-N	0	1	384.502	0.917	20	30		GCEDMN
CC[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC)cn2)CCN1C[C@@H](C)O	ZINC000331175197	1195722870	/nfs/dbraw/zinc/72/28/70/1195722870.db2.gz	PIXNHKOBECGKER-CHWSQXEVSA-N	0	1	385.490	0.312	20	30		GCEDMN
C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1	ZINC000331190870	1195723430	/nfs/dbraw/zinc/72/34/30/1195723430.db2.gz	LGHQUOJGZUTLJX-CYBMUJFWSA-N	0	1	399.517	0.654	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1	ZINC000331333340	1195727422	/nfs/dbraw/zinc/72/74/22/1195727422.db2.gz	IUVLIOPDKAVMKN-AWEZNQCLSA-N	0	1	398.529	0.833	20	30		GCEDMN
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCN2C)cc1	ZINC000334021924	1195734858	/nfs/dbraw/zinc/73/48/58/1195734858.db2.gz	DUXJDMZOOTVEPA-ZFWWWQNUSA-N	0	1	379.486	0.740	20	30		GCEDMN
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCN2C)cc1	ZINC000334021923	1195734942	/nfs/dbraw/zinc/73/49/42/1195734942.db2.gz	DUXJDMZOOTVEPA-DZGCQCFKSA-N	0	1	379.486	0.740	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1	ZINC000983850558	1195744102	/nfs/dbraw/zinc/74/41/02/1195744102.db2.gz	GOTJZCAZHOMCRS-SPUZQDLCSA-N	0	1	388.512	0.196	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1	ZINC000180707400	1195769916	/nfs/dbraw/zinc/76/99/16/1195769916.db2.gz	NOCNLUNCVNTHAH-QYZOEREBSA-N	0	1	377.533	0.331	20	30		GCEDMN
C=CCN(C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21)[C@@H]1CCS(=O)(=O)C1	ZINC000521532239	1196000246	/nfs/dbraw/zinc/00/02/46/1196000246.db2.gz	WMQMSVRORJOZPB-CHWSQXEVSA-N	0	1	390.465	0.883	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000729533465	1196029923	/nfs/dbraw/zinc/02/99/23/1196029923.db2.gz	LIEXBIPUUNECTK-NRFANRHFSA-N	0	1	398.507	0.078	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1	ZINC000729533466	1196030045	/nfs/dbraw/zinc/03/00/45/1196030045.db2.gz	LIEXBIPUUNECTK-OAQYLSRUSA-N	0	1	398.507	0.078	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc2c1CCNC2=O)c1ccn[nH]1	ZINC000840543902	1196150368	/nfs/dbraw/zinc/15/03/68/1196150368.db2.gz	SZGTUKXKLNVFCX-UHFFFAOYSA-N	0	1	385.380	0.618	20	30		GCEDMN
CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@@H]3CCN(C)C[C@@H]32)c1	ZINC000329020739	1196156494	/nfs/dbraw/zinc/15/64/94/1196156494.db2.gz	LXHLUVDPYFCXGH-DLBZAZTESA-N	0	1	396.513	0.930	20	30		GCEDMN
C[C@H](NC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCCCC1	ZINC000329041684	1196158849	/nfs/dbraw/zinc/15/88/49/1196158849.db2.gz	DPNQADFQJKEBBL-RRFJBIMHSA-N	0	1	388.534	0.794	20	30		GCEDMN
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCC[C@@](O)(C(=O)N3CCCC3)C1)CC2	ZINC000329100454	1196163999	/nfs/dbraw/zinc/16/39/99/1196163999.db2.gz	ZKZXCDNAYOROAK-KXBFYZLASA-N	0	1	390.488	0.512	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)C1=O	ZINC000329178325	1196172150	/nfs/dbraw/zinc/17/21/50/1196172150.db2.gz	NCIHXEHNYYVCNC-MRXNPFEDSA-N	0	1	399.451	0.754	20	30		GCEDMN
CN1CCN(c2ccc(CNC(=O)N3CCCS(=O)(=O)CC3)cn2)CC1	ZINC000329181683	1196172901	/nfs/dbraw/zinc/17/29/01/1196172901.db2.gz	NNGREQREUPSIPW-UHFFFAOYSA-N	0	1	381.502	0.368	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)Cc3ccc(-n4cnnn4)cc3)CC2)C1=O	ZINC000329201574	1196175117	/nfs/dbraw/zinc/17/51/17/1196175117.db2.gz	WOZVODZQXZABTH-KRWDZBQOSA-N	0	1	383.456	0.856	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329266455	1196181370	/nfs/dbraw/zinc/18/13/70/1196181370.db2.gz	HJXAWJCMWXJUDU-IAGOWNOFSA-N	0	1	380.537	0.806	20	30		GCEDMN
C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329262800	1196181436	/nfs/dbraw/zinc/18/14/36/1196181436.db2.gz	BHGHFQVAVTVSDQ-HUUCEWRRSA-N	0	1	385.490	0.312	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CCc3nnc(C(C)C)n3C1)CC2	ZINC000329352533	1196188115	/nfs/dbraw/zinc/18/81/15/1196188115.db2.gz	UPQLNBJEOVWQEH-CHWSQXEVSA-N	0	1	388.476	0.973	20	30		GCEDMN
CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1	ZINC000329358208	1196188625	/nfs/dbraw/zinc/18/86/25/1196188625.db2.gz	WXYOVVASVMHAIN-GFCCVEGCSA-N	0	1	384.506	0.644	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1	ZINC000329374913	1196190330	/nfs/dbraw/zinc/19/03/30/1196190330.db2.gz	NOXMZHNEFNIREY-GOSISDBHSA-N	0	1	394.541	0.467	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)CC2	ZINC000329388851	1196191215	/nfs/dbraw/zinc/19/12/15/1196191215.db2.gz	RNMZVLUUGIOEPN-KGLIPLIRSA-N	0	1	398.533	0.986	20	30		GCEDMN
CN(C[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1)S(C)(=O)=O	ZINC000329509982	1196201968	/nfs/dbraw/zinc/20/19/68/1196201968.db2.gz	XHCMXEZTWODUJI-GJZGRUSLSA-N	0	1	383.518	0.963	20	30		GCEDMN
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCO[C@H](Cn2cccn2)C1	ZINC000329716356	1196226266	/nfs/dbraw/zinc/22/62/66/1196226266.db2.gz	WITUCUVOIHMULW-CABCVRRESA-N	0	1	397.501	0.455	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](C(=O)N3CCCC3)C1)CC2	ZINC000329798366	1196231956	/nfs/dbraw/zinc/23/19/56/1196231956.db2.gz	GIZAMBIVFFULCB-LSDHHAIUSA-N	0	1	390.488	0.988	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)CC2	ZINC000329898971	1196237228	/nfs/dbraw/zinc/23/72/28/1196237228.db2.gz	FDIYOCUBWWXBTL-XHSDSOJGSA-N	0	1	390.467	0.751	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)CC2	ZINC000329898971	1196237232	/nfs/dbraw/zinc/23/72/32/1196237232.db2.gz	FDIYOCUBWWXBTL-XHSDSOJGSA-N	0	1	390.467	0.751	20	30		GCEDMN
CC(C)(O)CN1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1	ZINC000329903361	1196237599	/nfs/dbraw/zinc/23/75/99/1196237599.db2.gz	IGSILDVXVMSDPJ-UHFFFAOYSA-N	0	1	395.548	0.233	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)CC1	ZINC000330221338	1196260100	/nfs/dbraw/zinc/26/01/00/1196260100.db2.gz	LNPQEXFGHGRNGA-MRXNPFEDSA-N	0	1	379.461	0.525	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)O[C@@]3(CCCOC3)C1)CC2	ZINC000330277194	1196262714	/nfs/dbraw/zinc/26/27/14/1196262714.db2.gz	NXNAEHLWCMXFCU-IYOUNJFTSA-N	0	1	379.461	0.923	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000280990621	1196269238	/nfs/dbraw/zinc/26/92/38/1196269238.db2.gz	CIBQHDUTHMHVIA-MRXNPFEDSA-N	0	1	388.468	0.575	20	30		GCEDMN
Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CCO2)n[nH]1	ZINC000330306915	1196273141	/nfs/dbraw/zinc/27/31/41/1196273141.db2.gz	RUFFSXHICSVUEG-ZJUUUORDSA-N	0	1	376.339	0.564	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)C1	ZINC000330323313	1196284873	/nfs/dbraw/zinc/28/48/73/1196284873.db2.gz	HNZFOCCIDYIVRA-IAGOWNOFSA-N	0	1	378.521	0.979	20	30		GCEDMN
CC(C)CN1CCO[C@H](C[NH+]=C([O-])N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1	ZINC000330331313	1196289363	/nfs/dbraw/zinc/28/93/63/1196289363.db2.gz	NZPZFVFMLPOTJR-LSDHHAIUSA-N	0	1	393.492	0.285	20	30		GCEDMN
C=CCN1CC[C@@H](N(C)C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)C1=O	ZINC000281370293	1196291990	/nfs/dbraw/zinc/29/19/90/1196291990.db2.gz	OLDWVJSOFXHING-HZPDHXFCSA-N	0	1	392.452	0.940	20	30		GCEDMN
CCN(C(=O)c1[nH]nc2c1CCN(C(=O)[C@H](CS)NC(C)=O)C2)C(C)C	ZINC001271271986	1196292950	/nfs/dbraw/zinc/29/29/50/1196292950.db2.gz	JADPCKWUVXZPQO-AWEZNQCLSA-N	0	1	381.502	0.599	20	30		GCEDMN
N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)s1	ZINC001088104777	1196359702	/nfs/dbraw/zinc/35/97/02/1196359702.db2.gz	ZPONNFATIVVQMW-OSRSDYAFSA-N	0	1	388.493	0.933	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccnc(C(=O)N(C)C)c2)c1	ZINC000524110294	1196576286	/nfs/dbraw/zinc/57/62/86/1196576286.db2.gz	UESUPXXTSIUVQI-UHFFFAOYSA-N	0	1	388.449	0.922	20	30		GCEDMN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000841010055	1196586644	/nfs/dbraw/zinc/58/66/44/1196586644.db2.gz	XLDDWJYRCSCJNG-SWLSCSKDSA-N	0	1	395.485	0.959	20	30		GCEDMN
COCC(COC)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528517531	1196865419	/nfs/dbraw/zinc/86/54/19/1196865419.db2.gz	CKCLLAQVYMYWQF-UHFFFAOYSA-N	0	1	385.464	0.565	20	30		GCEDMN
C[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000530413917	1196986361	/nfs/dbraw/zinc/98/63/61/1196986361.db2.gz	QJMQEONKJXZFSS-ZIAGYGMSSA-N	0	1	385.424	0.910	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C#N)CCN(C)CC1	ZINC000531966210	1197105252	/nfs/dbraw/zinc/10/52/52/1197105252.db2.gz	OLDNHXONWZQQIB-CYBMUJFWSA-N	0	1	375.454	0.329	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)CC[C@@H]3C2)CC1	ZINC000986245711	1197160773	/nfs/dbraw/zinc/16/07/73/1197160773.db2.gz	JSXAUDUBUSHDHM-GHDARCQNSA-N	0	1	385.508	0.675	20	30		GCEDMN
CN1CCN(c2cc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)ccn2)CC1	ZINC000171112751	1197312364	/nfs/dbraw/zinc/31/23/64/1197312364.db2.gz	RAXZSJQWBUPTTH-UHFFFAOYSA-N	0	1	392.463	0.751	20	30		GCEDMN
C=C(C)C[C@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2	ZINC001719932276	1197374990	/nfs/dbraw/zinc/37/49/90/1197374990.db2.gz	WUDXXNFMQQIILE-RZFFKMDDSA-N	0	1	377.420	0.881	20	30		GCEDMN
CN(C)CC#CCNC(=O)NCc1c(I)cnn1C	ZINC001687406152	1197396880	/nfs/dbraw/zinc/39/68/80/1197396880.db2.gz	GDTADTJHACBWON-UHFFFAOYSA-N	0	1	375.214	0.389	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)n(CCC#N)n1	ZINC000533466727	1197453296	/nfs/dbraw/zinc/45/32/96/1197453296.db2.gz	PUADQCWSABPKKJ-HNNXBMFYSA-N	0	1	376.461	0.517	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)C1=O	ZINC000262086431	1197522307	/nfs/dbraw/zinc/52/23/07/1197522307.db2.gz	UBALCPWNZKRWRU-AWEZNQCLSA-N	0	1	390.827	0.790	20	30		GCEDMN
C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC1(C#N)CCN(C)CC1)C2=O	ZINC000533850115	1197572951	/nfs/dbraw/zinc/57/29/51/1197572951.db2.gz	PMMHABYMEGQZTI-HBCWATKFSA-N	0	1	375.473	0.837	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000542801258	1199051726	/nfs/dbraw/zinc/05/17/26/1199051726.db2.gz	QWWVTWCCZPVGAG-ZWKOTPCHSA-N	0	1	384.484	0.599	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000542801257	1199052095	/nfs/dbraw/zinc/05/20/95/1199052095.db2.gz	QWWVTWCCZPVGAG-ROUUACIJSA-N	0	1	384.484	0.599	20	30		GCEDMN
C=CCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2[nH]nc4c2CCC4)C3)nn1	ZINC001003923913	1199711591	/nfs/dbraw/zinc/71/15/91/1199711591.db2.gz	JBVNMJNBGJFCRW-XFJVYGCCSA-N	0	1	381.440	0.851	20	30		GCEDMN
CN(CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1	ZINC000329430739	1199841356	/nfs/dbraw/zinc/84/13/56/1199841356.db2.gz	KFKKBBVBUXCLRF-WBVHZDCISA-N	0	1	376.482	0.731	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC2CC2)CC1	ZINC000156093588	1199884379	/nfs/dbraw/zinc/88/43/79/1199884379.db2.gz	CICBMGCDCIRIMJ-CQSZACIVSA-N	0	1	376.482	0.779	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2OC)c1	ZINC000946644297	1199911882	/nfs/dbraw/zinc/91/18/82/1199911882.db2.gz	WKKCHWUYAPAVLQ-JOCBIADPSA-N	0	1	379.420	0.545	20	30		GCEDMN
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1	ZINC001004721325	1199917593	/nfs/dbraw/zinc/91/75/93/1199917593.db2.gz	HEVFCXKQNKBWFM-OIISXLGYSA-N	0	1	379.420	0.921	20	30		GCEDMN
C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1O	ZINC000509141356	1199941891	/nfs/dbraw/zinc/94/18/91/1199941891.db2.gz	UVGGSPWYALEGAX-HIFRSBDPSA-N	0	1	385.424	0.767	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@]3(CO)CCc4ccccc43)CC2)o1	ZINC000132286641	1199963224	/nfs/dbraw/zinc/96/32/24/1199963224.db2.gz	NDGHZGGYTWBWEW-OAQYLSRUSA-N	0	1	395.463	0.927	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)[nH]1	ZINC001005590981	1200379128	/nfs/dbraw/zinc/37/91/28/1200379128.db2.gz	DSAISMOKAJCLLX-KOZAUXTDSA-N	0	1	379.424	0.986	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCc4n[nH]nc42)C3)c[nH]1	ZINC001005592335	1200379355	/nfs/dbraw/zinc/37/93/55/1200379355.db2.gz	MUMVNWMJBGQUQC-XOUADPBQSA-N	0	1	379.424	0.986	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1	ZINC001129113756	1200466383	/nfs/dbraw/zinc/46/63/83/1200466383.db2.gz	RBSXQKDPYZZOAY-BDXSIMOUSA-N	0	1	375.473	0.637	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@@H](n2ccnn2)C1	ZINC001129272125	1200598649	/nfs/dbraw/zinc/59/86/49/1200598649.db2.gz	YHQMLRHXAIELQE-KONPQCLYSA-N	0	1	385.472	0.359	20	30		GCEDMN
CCOC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[nH]1	ZINC000542833036	1200936932	/nfs/dbraw/zinc/93/69/32/1200936932.db2.gz	NDJANNGISXVFHQ-JTQLQIEISA-N	0	1	391.409	0.764	20	30		GCEDMN
CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n[nH]1	ZINC000542834774	1200937353	/nfs/dbraw/zinc/93/73/53/1200937353.db2.gz	QKGQAGMXQKCVJE-UHFFFAOYSA-N	0	1	391.409	0.717	20	30		GCEDMN
COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1	ZINC000560229480	1200993520	/nfs/dbraw/zinc/99/35/20/1200993520.db2.gz	ASJKLJCIIIGADS-QGZVFWFLSA-N	0	1	398.467	1.471	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H](OC)C2)CC1	ZINC000946905788	1201033288	/nfs/dbraw/zinc/03/32/88/1201033288.db2.gz	ZLDUATPQYTUXTL-IEWDOMPSSA-N	0	1	389.496	0.241	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)CN1	ZINC000415577718	1201076633	/nfs/dbraw/zinc/07/66/33/1201076633.db2.gz	ZCIBSPTXSHSPCS-VXGBXAGGSA-N	0	1	386.843	1.545	20	30		GCEDMN
CN(C)c1nc(N)nc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1	ZINC000593900274	1201084039	/nfs/dbraw/zinc/08/40/39/1201084039.db2.gz	MSVSLYPTBHXZGT-UHFFFAOYSA-N	0	1	380.456	0.786	20	30		GCEDMN
N#CC(C(=O)c1cncc(-n2ccnn2)c1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000569935827	1201160047	/nfs/dbraw/zinc/16/00/47/1201160047.db2.gz	MMDVTJZRSNFUMK-OAHLLOKOSA-N	0	1	398.390	1.085	20	30		GCEDMN
N#CC(C(=O)c1cncc(-n2ccnn2)c1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000569935826	1201160344	/nfs/dbraw/zinc/16/03/44/1201160344.db2.gz	MMDVTJZRSNFUMK-HNNXBMFYSA-N	0	1	398.390	1.085	20	30		GCEDMN
N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(F)c1	ZINC000611172871	1201220888	/nfs/dbraw/zinc/22/08/88/1201220888.db2.gz	KZVKZAPGINHVSH-UHFFFAOYSA-N	0	1	380.339	0.927	20	30		GCEDMN
C[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1	ZINC000611386538	1201235920	/nfs/dbraw/zinc/23/59/20/1201235920.db2.gz	MVUGNEGBPNADKU-MAUKXSAKSA-N	0	1	390.509	0.540	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1C	ZINC001080590024	1201277499	/nfs/dbraw/zinc/27/74/99/1201277499.db2.gz	ZKBNVUCTFGTDOT-OLMMMNRUSA-N	0	1	377.485	0.943	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C3CC3)n2)C[C@H]1OC	ZINC001081694098	1201297491	/nfs/dbraw/zinc/29/74/91/1201297491.db2.gz	JUQBPNVVKZWMGI-LVQVYYBASA-N	0	1	375.473	0.979	20	30		GCEDMN
C#CCNCC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1	ZINC000727238752	1201353064	/nfs/dbraw/zinc/35/30/64/1201353064.db2.gz	VAJYDSKLHBEIBT-UHFFFAOYSA-N	0	1	377.510	0.976	20	30		GCEDMN
C=CCNC(=O)[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O	ZINC000728108307	1201398454	/nfs/dbraw/zinc/39/84/54/1201398454.db2.gz	YZERPWUKLMMABX-JTQLQIEISA-N	0	1	383.426	0.864	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1	ZINC000728153440	1201403642	/nfs/dbraw/zinc/40/36/42/1201403642.db2.gz	WXPMFDFIUJROIF-UHFFFAOYSA-N	0	1	393.495	0.652	20	30		GCEDMN
CN1CCN(c2ccccc2NC(=O)C(=O)NC2CCN(CC#N)CC2)CC1	ZINC000730683914	1201462083	/nfs/dbraw/zinc/46/20/83/1201462083.db2.gz	NRBDFGBAYAYLKE-UHFFFAOYSA-N	0	1	384.484	0.481	20	30		GCEDMN
O=C(NCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1N=CC=CC1=O	ZINC000731851021	1201505273	/nfs/dbraw/zinc/50/52/73/1201505273.db2.gz	CQWWXZKRBBZHBC-OWBHPGMISA-N	0	1	384.345	0.539	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1	ZINC000732443998	1201543306	/nfs/dbraw/zinc/54/33/06/1201543306.db2.gz	OKYBDOXRXLPMAD-HYEKCJMVSA-N	0	1	379.461	0.169	20	30		GCEDMN
O=C(CCNC(=O)c1n[nH]c2ccccc21)NCCNC(=O)C1N=CC=CC1=O	ZINC000732766593	1201559697	/nfs/dbraw/zinc/55/96/97/1201559697.db2.gz	UHKHHTWDXOBEJO-ZPHPHTNESA-N	0	1	396.407	0.325	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CCN(CC(=O)N3CCOCC3)[C@H]2C1	ZINC001085054854	1201562533	/nfs/dbraw/zinc/56/25/33/1201562533.db2.gz	YMWBGTMTCOUNDL-LXZJYRNTSA-N	0	1	391.512	0.749	20	30		GCEDMN
N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)nc1	ZINC000733851223	1201610033	/nfs/dbraw/zinc/61/00/33/1201610033.db2.gz	ZISXTKCUXGHROQ-UHFFFAOYSA-N	0	1	376.380	0.701	20	30		GCEDMN
N#Cc1ccc([C@@H](NCC2CCN(S(=O)(=O)C(F)F)CC2)C(N)=O)cc1	ZINC000734506050	1201654663	/nfs/dbraw/zinc/65/46/63/1201654663.db2.gz	AORGTFDVAABMOA-CQSZACIVSA-N	0	1	386.424	0.939	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000735940958	1201706307	/nfs/dbraw/zinc/70/63/07/1201706307.db2.gz	XAFPGRYSJUPNEJ-GDBMZVCRSA-N	0	1	384.498	0.299	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000735940960	1201706321	/nfs/dbraw/zinc/70/63/21/1201706321.db2.gz	XAFPGRYSJUPNEJ-HOCLYGCPSA-N	0	1	384.498	0.299	20	30		GCEDMN
Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000739155570	1201740867	/nfs/dbraw/zinc/74/08/67/1201740867.db2.gz	JGEHLIVBZSYKLL-NSHDSACASA-N	0	1	392.375	0.297	20	30		GCEDMN
CC(C)(O)CN1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000742151484	1201790830	/nfs/dbraw/zinc/79/08/30/1201790830.db2.gz	VOYWWHGFMJQRTK-UHFFFAOYSA-N	0	1	385.468	0.668	20	30		GCEDMN
N#Cc1ccccc1CN1C(=O)CN(CN2CC[C@H](CN3CCOCC3)C2)C1=O	ZINC000742162140	1201791281	/nfs/dbraw/zinc/79/12/81/1201791281.db2.gz	QSTDRNRCWOLVOG-QGZVFWFLSA-N	0	1	397.479	0.934	20	30		GCEDMN
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(C)(C)N1CCN(C)CC1	ZINC000743880378	1201824935	/nfs/dbraw/zinc/82/49/35/1201824935.db2.gz	DGCXBCIMVNMUJU-UHFFFAOYSA-N	0	1	390.459	0.918	20	30		GCEDMN
C#CCNC(=O)[C@@H](C)OC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1	ZINC000745537338	1201880879	/nfs/dbraw/zinc/88/08/79/1201880879.db2.gz	KOBIREOHZGAGSA-SNVBAGLBSA-N	0	1	384.410	0.370	20	30		GCEDMN
CCOC(=O)C1=C(CN(CC#N)CC(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000746455578	1201923868	/nfs/dbraw/zinc/92/38/68/1201923868.db2.gz	SNFWEOJJSRYHDH-QGZVFWFLSA-N	0	1	386.408	0.856	20	30		GCEDMN
C=CCN1CCN(C)C2(CCN([C@@H]3CC[C@@H](C(=O)OCC)OC3)CC2)C1=O	ZINC001169399877	1201946080	/nfs/dbraw/zinc/94/60/80/1201946080.db2.gz	WYWOXSHYAYHULO-SJORKVTESA-N	0	1	379.501	0.892	20	30		GCEDMN
C=CC[C@H](Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1)C(=O)OC	ZINC001169844273	1201957894	/nfs/dbraw/zinc/95/78/94/1201957894.db2.gz	CAEOXECGXRYCFH-ZDUSSCGKSA-N	0	1	383.405	0.952	20	30		GCEDMN
C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1	ZINC001169918083	1201959391	/nfs/dbraw/zinc/95/93/91/1201959391.db2.gz	OXHHIBBDZKURJK-MGPUTAFESA-N	0	1	385.420	0.828	20	30		GCEDMN
CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1	ZINC001109273733	1202010831	/nfs/dbraw/zinc/01/08/31/1202010831.db2.gz	QEFOKZDDMOQVBV-IKGGRYGDSA-N	0	1	376.482	0.719	20	30		GCEDMN
COC(=O)C[C@@]1(NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCCOC1	ZINC000770694872	1202108979	/nfs/dbraw/zinc/10/89/79/1202108979.db2.gz	ALJYTVKORCBFDS-APWZRJJASA-N	0	1	380.489	0.381	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCNS(=O)(=O)CC	ZINC001109735816	1202115197	/nfs/dbraw/zinc/11/51/97/1202115197.db2.gz	YLIVKIWTSDKSOF-NRKLIOEPSA-N	0	1	385.530	0.628	20	30		GCEDMN
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1O)C2	ZINC001109774627	1202121590	/nfs/dbraw/zinc/12/15/90/1202121590.db2.gz	CCCKBTQRJVRIMG-UGFHNGPFSA-N	0	1	380.408	0.310	20	30		GCEDMN
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1O)C2	ZINC001109774719	1202121803	/nfs/dbraw/zinc/12/18/03/1202121803.db2.gz	GYGGHODBLDQUNQ-KCXAZCMYSA-N	0	1	379.420	0.420	20	30		GCEDMN
C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1[O-])C2	ZINC001109774719	1202121804	/nfs/dbraw/zinc/12/18/04/1202121804.db2.gz	GYGGHODBLDQUNQ-KCXAZCMYSA-N	0	1	379.420	0.420	20	30		GCEDMN
C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1[O-])C2	ZINC001109774719	1202121805	/nfs/dbraw/zinc/12/18/05/1202121805.db2.gz	GYGGHODBLDQUNQ-KCXAZCMYSA-N	0	1	379.420	0.420	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CC1	ZINC000771493673	1202144373	/nfs/dbraw/zinc/14/43/73/1202144373.db2.gz	NWFQZGYNOXLRNO-QGZVFWFLSA-N	0	1	395.459	0.855	20	30		GCEDMN
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)N(C)C)C2	ZINC001109966400	1202164072	/nfs/dbraw/zinc/16/40/72/1202164072.db2.gz	OYEWWEBHZAANTB-GHDARCQNSA-N	0	1	382.508	0.934	20	30		GCEDMN
CC(C)COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771889936	1202167980	/nfs/dbraw/zinc/16/79/80/1202167980.db2.gz	CKQIELOSDAUUGU-UHFFFAOYSA-N	0	1	394.453	0.431	20	30		GCEDMN
Cc1ccccc1C1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000771889967	1202168035	/nfs/dbraw/zinc/16/80/35/1202168035.db2.gz	CQKRRDYNDLPCSY-UHFFFAOYSA-N	0	1	376.438	0.604	20	30		GCEDMN
CC(C)CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccn1	ZINC000771891234	1202168263	/nfs/dbraw/zinc/16/82/63/1202168263.db2.gz	KNMZGONLYHRBBQ-UHFFFAOYSA-N	0	1	379.442	0.208	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1oc2ccccc2c1C	ZINC000771892244	1202168299	/nfs/dbraw/zinc/16/82/99/1202168299.db2.gz	OUKQKLZROXVRMD-UHFFFAOYSA-N	0	1	390.421	0.841	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1C	ZINC000771896704	1202168439	/nfs/dbraw/zinc/16/84/39/1202168439.db2.gz	GVAXPNWLJWGUKK-UHFFFAOYSA-N	0	1	395.397	0.003	20	30		GCEDMN
CCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771898143	1202169051	/nfs/dbraw/zinc/16/90/51/1202169051.db2.gz	VEDPSRHSHNUXLS-UHFFFAOYSA-N	0	1	380.426	0.185	20	30		GCEDMN
Cc1ccc([C@H]2CCCC2=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771898518	1202169146	/nfs/dbraw/zinc/16/91/46/1202169146.db2.gz	ZBJGOBUVFPXVDM-CQSZACIVSA-N	0	1	390.465	0.994	20	30		GCEDMN
CCOc1ccccc1C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771896494	1202169149	/nfs/dbraw/zinc/16/91/49/1202169149.db2.gz	AONPVDRTGFVSFU-UHFFFAOYSA-N	0	1	380.426	0.185	20	30		GCEDMN
Cc1ccc2c(c1)OCCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771897531	1202169171	/nfs/dbraw/zinc/16/91/71/1202169171.db2.gz	PIJBINPZZJVIDQ-UHFFFAOYSA-N	0	1	392.437	0.248	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000772109732	1202174959	/nfs/dbraw/zinc/17/49/59/1202174959.db2.gz	IKSQXYUFNKLLDY-NVXWUHKLSA-N	0	1	398.525	0.689	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1	ZINC000772124495	1202175150	/nfs/dbraw/zinc/17/51/50/1202175150.db2.gz	ZLAPTHOJPHQVQH-UHFFFAOYSA-N	0	1	378.450	0.917	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCCN(C(=O)CC)CC1)c1cc[nH]n1	ZINC000772148717	1202175956	/nfs/dbraw/zinc/17/59/56/1202175956.db2.gz	KLBDRHPIYKBUDF-UHFFFAOYSA-N	0	1	379.417	0.164	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000787681662	1205398672	/nfs/dbraw/zinc/39/86/72/1205398672.db2.gz	AYHYWRSUVARBAH-GFCCVEGCSA-N	0	1	396.407	0.984	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000787681664	1205398793	/nfs/dbraw/zinc/39/87/93/1205398793.db2.gz	AYHYWRSUVARBAH-LBPRGKRZSA-N	0	1	396.407	0.984	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCO1	ZINC000787849430	1205404659	/nfs/dbraw/zinc/40/46/59/1205404659.db2.gz	ABJRWBABAHFKCB-WOJBJXKFSA-N	0	1	398.507	0.612	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(NC(N)=O)cc1)c1ccn[nH]1	ZINC000789946439	1205452653	/nfs/dbraw/zinc/45/26/53/1205452653.db2.gz	JHEZMEWSCJSLPA-UHFFFAOYSA-N	0	1	388.384	0.501	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1(C(=O)OC)CCCCC1)c1ccn[nH]1	ZINC000789957605	1205453419	/nfs/dbraw/zinc/45/34/19/1205453419.db2.gz	BPWVIMFZCIZWLA-UHFFFAOYSA-N	0	1	380.401	0.686	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)CCCC3)c(=O)n(C)c1=O	ZINC000793034165	1205495776	/nfs/dbraw/zinc/49/57/76/1205495776.db2.gz	JRJSEKHPFWPZFQ-UHFFFAOYSA-N	0	1	376.438	0.275	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1cc[nH]n1	ZINC000804393111	1205514876	/nfs/dbraw/zinc/51/48/76/1205514876.db2.gz	GMFMWJIKWDENBW-KGLIPLIRSA-N	0	1	380.401	0.100	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1CCN(C(=O)OC)CC1)c1ccn[nH]1	ZINC000804683718	1205521111	/nfs/dbraw/zinc/52/11/11/1205521111.db2.gz	HCRGDTNFYJKERN-UHFFFAOYSA-N	0	1	395.416	0.288	20	30		GCEDMN
C=CCN(C(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1)C(C)C	ZINC000804725950	1205523928	/nfs/dbraw/zinc/52/39/28/1205523928.db2.gz	FWBRIKBVPOLUJP-UHFFFAOYSA-N	0	1	388.516	0.918	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1n1ccnn1	ZINC001129930950	1205525845	/nfs/dbraw/zinc/52/58/45/1205525845.db2.gz	ZWDYRVGEGGLKRX-MANSERQUSA-N	0	1	387.484	0.332	20	30		GCEDMN
CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCC(=O)N(CC)CCC#N)[C@@H](n2ccnn2)C1	ZINC001130012120	1205528351	/nfs/dbraw/zinc/52/83/51/1205528351.db2.gz	PSNQENWVUQTMRB-VQHPVUNQSA-N	0	1	387.488	0.428	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N(C)C(C)C)[C@@H](n2ccnn2)C1	ZINC001130009224	1205529181	/nfs/dbraw/zinc/52/91/81/1205529181.db2.gz	CVQGKWYDQSJPDR-NCOADZHNSA-N	0	1	390.488	0.078	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1	ZINC001130038262	1205530089	/nfs/dbraw/zinc/53/00/89/1205530089.db2.gz	VEQODNFLXRCGLM-DFGXFYAUSA-N	0	1	390.488	0.127	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1	ZINC001130242064	1205539437	/nfs/dbraw/zinc/53/94/37/1205539437.db2.gz	CRLLVNLASWZYOY-JKQORVJESA-N	0	1	388.472	0.778	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1	ZINC001130242064	1205539439	/nfs/dbraw/zinc/53/94/39/1205539439.db2.gz	CRLLVNLASWZYOY-JKQORVJESA-N	0	1	388.472	0.778	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#CCOC)C1	ZINC001130687861	1205560151	/nfs/dbraw/zinc/56/01/51/1205560151.db2.gz	UJILLNZUICICLA-XEYPJELSSA-N	0	1	386.496	0.935	20	30		GCEDMN
Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1NCC(=O)NCC#N	ZINC001131036045	1205588780	/nfs/dbraw/zinc/58/87/80/1205588780.db2.gz	YIHGWHNTIPCHDT-QXDIGNSFSA-N	0	1	398.511	0.770	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cncn1C	ZINC001131035721	1205588896	/nfs/dbraw/zinc/58/88/96/1205588896.db2.gz	OGPRVXOGZJJQJA-PZEIRFODSA-N	0	1	384.480	0.377	20	30		GCEDMN
CN(C)c1c(C=[NH+][N-]c2nc3cc(F)c(F)cc3[nH]2)c(=O)n(C)c(=O)n1C	ZINC000807961716	1205594992	/nfs/dbraw/zinc/59/49/92/1205594992.db2.gz	BGEMDPWSMLASQF-UHFFFAOYSA-N	0	1	377.355	0.751	20	30		GCEDMN
COc1ccc(CNC(=O)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1C#N	ZINC000809503134	1205626434	/nfs/dbraw/zinc/62/64/34/1205626434.db2.gz	WAKKKFNPVJETFT-GJZGRUSLSA-N	0	1	388.468	0.799	20	30		GCEDMN
N#Cc1cccnc1NCCNC(=O)CNS(=O)(=O)c1c(F)cccc1F	ZINC000810201275	1205634953	/nfs/dbraw/zinc/63/49/53/1205634953.db2.gz	XJNQPXQGEDQPSJ-UHFFFAOYSA-N	0	1	395.391	0.738	20	30		GCEDMN
N#C[C@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1cc2n(n1)CCO2	ZINC000810533410	1205639806	/nfs/dbraw/zinc/63/98/06/1205639806.db2.gz	YQDRTERFKBOKIW-VIFPVBQESA-N	0	1	399.319	0.916	20	30		GCEDMN
N#CC(C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1cc2n(n1)CCO2	ZINC000810533410	1205639809	/nfs/dbraw/zinc/63/98/09/1205639809.db2.gz	YQDRTERFKBOKIW-VIFPVBQESA-N	0	1	399.319	0.916	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC[C@H](c3ccccc3)C2)c(=O)n(C)c1=O	ZINC000814883723	1205696552	/nfs/dbraw/zinc/69/65/52/1205696552.db2.gz	YCCMUWKBVJNHKQ-ZDUSSCGKSA-N	0	1	376.438	0.686	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(C3CCC3)cc2)c(=O)n(C)c1=O	ZINC000814883287	1205696555	/nfs/dbraw/zinc/69/65/55/1205696555.db2.gz	IEHAHSUJUFEYRE-UHFFFAOYSA-N	0	1	376.438	0.664	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC[C@H](Cc3ccccc3)C2)c(=O)n(C)c1=O	ZINC000814883501	1205696571	/nfs/dbraw/zinc/69/65/71/1205696571.db2.gz	PTEXPKPSSLJCOY-CQSZACIVSA-N	0	1	390.465	0.761	20	30		GCEDMN
N#Cc1ccc(-c2cc(N3CCN(C[C@@H](O)C4(O)CCOCC4)CC3)n[nH]2)cc1	ZINC001171804663	1205709996	/nfs/dbraw/zinc/70/99/96/1205709996.db2.gz	GSYMEQADYYBCGT-LJQANCHMSA-N	0	1	397.479	0.973	20	30		GCEDMN
C[C@H](Cc1ccc(C#N)cc1)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001172308724	1205715561	/nfs/dbraw/zinc/71/55/61/1205715561.db2.gz	MLJJPVGLQJZSKI-XPGWFJOJSA-N	0	1	394.475	0.653	20	30		GCEDMN
C[C@H](Cc1ccc(C#N)cc1)n1cncc1C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O	ZINC001172306221	1205715693	/nfs/dbraw/zinc/71/56/93/1205715693.db2.gz	XCHUWSKMDWFMQM-CCKFTAQKSA-N	0	1	394.479	0.905	20	30		GCEDMN
C[C@H](CCCC#N)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1	ZINC001172493403	1205716105	/nfs/dbraw/zinc/71/61/05/1205716105.db2.gz	AKNKBGLSEFZPHZ-YYIAUSFCSA-N	0	1	383.514	0.663	20	30		GCEDMN
CC(C)[C@H](NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(N)=O	ZINC001172977858	1205718237	/nfs/dbraw/zinc/71/82/37/1205718237.db2.gz	GJSYTTWKDSMUJI-XGUBFFRZSA-N	0	1	395.504	0.882	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)cc1	ZINC000773494484	1205737666	/nfs/dbraw/zinc/73/76/66/1205737666.db2.gz	ZRDACNJIFKBFCS-UHFFFAOYSA-N	0	1	390.421	0.707	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2nn[nH]n2)CC(C)C)cc1	ZINC001176593174	1205748932	/nfs/dbraw/zinc/74/89/32/1205748932.db2.gz	DASDFWTXRRQZBU-UHFFFAOYSA-N	0	1	378.458	0.962	20	30		GCEDMN
N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)Cc4nn[nH]n4)C3)C2)c1	ZINC001176840426	1205756559	/nfs/dbraw/zinc/75/65/59/1205756559.db2.gz	JXJFAUYTVYIFDH-IBGZPJMESA-N	0	1	381.440	0.759	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N(CCO)Cc1cccs1)c1cc[nH]n1	ZINC001177258970	1205764132	/nfs/dbraw/zinc/76/41/32/1205764132.db2.gz	VVGKMBJRSWAVNV-CYVLTUHYSA-N	0	1	380.426	0.776	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)Nc1cc(C(=O)OCC)[nH]n1)c1cc[nH]n1	ZINC001177254441	1205764926	/nfs/dbraw/zinc/76/49/26/1205764926.db2.gz	OFZXKEKUDWOJKQ-BKUYFWCQSA-N	0	1	378.345	0.232	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cncnc1C(=O)OCC)c1ccn[nH]1	ZINC001177257104	1205764947	/nfs/dbraw/zinc/76/49/47/1205764947.db2.gz	HBAJKNJSBNZGKY-XKZIYDEJSA-N	0	1	390.356	0.299	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OCC)[C@@H](C)CC)c1ccn[nH]1	ZINC001177263788	1205765411	/nfs/dbraw/zinc/76/54/11/1205765411.db2.gz	DVKYBQPWTOSMAR-NLKWHWJXSA-N	0	1	382.417	0.788	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC(N2C[C@H](C)O[C@@H](C)C2)C1)c1cc[nH]n1	ZINC001177263141	1205765442	/nfs/dbraw/zinc/76/54/42/1205765442.db2.gz	MJWGNYWIZFMARK-ZDBRSKDSSA-N	0	1	393.444	0.014	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(N)cc1CCO)c1ccn[nH]1	ZINC001177263524	1205765495	/nfs/dbraw/zinc/76/54/95/1205765495.db2.gz	ZIRFTQSIFYMXIW-JWGURIENSA-N	0	1	375.385	0.449	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCc2nc(C3CC3)ncc2C1)c1cc[nH]n1	ZINC001177263040	1205765592	/nfs/dbraw/zinc/76/55/92/1205765592.db2.gz	KRFUDCVUOTWKJD-ULJHMMPZSA-N	0	1	398.423	0.946	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCO[C@@H](C(F)(F)F)C1)c1cc[nH]n1	ZINC001177263604	1205765608	/nfs/dbraw/zinc/76/56/08/1205765608.db2.gz	WQUOEBGNVNVNOS-TYYASITHSA-N	0	1	378.307	0.483	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@H](CC(=O)OC)C1)c1cc[nH]n1	ZINC001177263421	1205765616	/nfs/dbraw/zinc/76/56/16/1205765616.db2.gz	SJCSJIJARXBDJQ-XSBGSACPSA-N	0	1	380.401	0.495	20	30		GCEDMN
C=C[C@H]1C[C@@]1(NC(=O)C(=NOCC(=O)OCC)c1ccn[nH]1)C(=O)OCC	ZINC001177263694	1205765651	/nfs/dbraw/zinc/76/56/51/1205765651.db2.gz	ALHYNIVRXFQNJE-SHFKWQNWSA-N	0	1	378.385	0.318	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1=C(C(=O)OCC)CO[C@@H]1C)c1ccn[nH]1	ZINC001177263961	1205765783	/nfs/dbraw/zinc/76/57/83/1205765783.db2.gz	MAXHOVIZACSIFG-DLSWAODISA-N	0	1	394.384	0.046	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCn1nnc2ccccc21)c1ccn[nH]1	ZINC001177263802	1205765788	/nfs/dbraw/zinc/76/57/88/1205765788.db2.gz	FLQJLJWPPOUXQJ-JWGURIENSA-N	0	1	385.384	0.255	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1C(=O)NCc2ccccc21)c1ccn[nH]1	ZINC001177264134	1205765836	/nfs/dbraw/zinc/76/58/36/1205765836.db2.gz	TVECJRGXLAEYIL-PUAIJGIWSA-N	0	1	385.380	0.181	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cc[nH]n1	ZINC001177263920	1205765856	/nfs/dbraw/zinc/76/58/56/1205765856.db2.gz	KFMGFXBVAGYAGP-HAHDFKILSA-N	0	1	398.383	0.190	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(F)(F)c1ccccn1)c1ccn[nH]1	ZINC001177263826	1205765921	/nfs/dbraw/zinc/76/59/21/1205765921.db2.gz	GRBLGQWYZLZDKG-UCQKPKSFSA-N	0	1	381.339	0.997	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccn[nH]1	ZINC001177267295	1205766098	/nfs/dbraw/zinc/76/60/98/1205766098.db2.gz	VLUREDNIBIWJMC-JBWVZOQYSA-N	0	1	386.412	0.484	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1(COC)CCOCC1)c1ccn[nH]1	ZINC001177266686	1205766264	/nfs/dbraw/zinc/76/62/64/1205766264.db2.gz	NROCFLHSSDYGEG-QNGOZBTKSA-N	0	1	382.417	0.253	20	30		GCEDMN
N#Cc1c(N)nc(=NC2CC2)n(C(=O)CSc2n[nH]c(=S)s2)c1N	ZINC001177337517	1205767262	/nfs/dbraw/zinc/76/72/62/1205767262.db2.gz	PKKXAKSTUZNJEZ-UHFFFAOYSA-N	0	1	380.484	0.555	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1	ZINC001177908761	1205779339	/nfs/dbraw/zinc/77/93/39/1205779339.db2.gz	NRNCYQWFGSDRKA-AWEZNQCLSA-N	0	1	386.481	0.896	20	30		GCEDMN
CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)C#Cc1ccc(F)cc1F	ZINC001178570252	1205789941	/nfs/dbraw/zinc/78/99/41/1205789941.db2.gz	UGPXEPPTEJSGSB-UHFFFAOYSA-N	0	1	395.387	0.938	20	30		GCEDMN
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2)[nH]1	ZINC001179393626	1205809522	/nfs/dbraw/zinc/80/95/22/1205809522.db2.gz	CWSPLFMPFSEMDW-IBGZPJMESA-N	0	1	384.392	0.636	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCOC12CCOCC2)c1ccn[nH]1	ZINC001180230278	1205819152	/nfs/dbraw/zinc/81/91/52/1205819152.db2.gz	DJUSDMCUKBRTED-CYBMUJFWSA-N	0	1	380.401	0.148	20	30		GCEDMN
C[C@@H](C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)N(C)C	ZINC001180861180	1205834530	/nfs/dbraw/zinc/83/45/30/1205834530.db2.gz	SQDLXBWHEXKWDZ-MGPUTAFESA-N	0	1	386.452	0.469	20	30		GCEDMN
C[C@@H](C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)N(C)C	ZINC001180861187	1205834559	/nfs/dbraw/zinc/83/45/59/1205834559.db2.gz	SQDLXBWHEXKWDZ-YWZLYKJASA-N	0	1	386.452	0.469	20	30		GCEDMN
N#Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)c(=O)[n-]c1=O	ZINC001180999748	1205836634	/nfs/dbraw/zinc/83/66/34/1205836634.db2.gz	FACOLHSAVVJXTR-INIZCTEOSA-N	0	1	380.408	0.263	20	30		GCEDMN
N#Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)c(=O)[n-]c1=O	ZINC001180999748	1205836637	/nfs/dbraw/zinc/83/66/37/1205836637.db2.gz	FACOLHSAVVJXTR-INIZCTEOSA-N	0	1	380.408	0.263	20	30		GCEDMN
CSc1[n-]c(=O)c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1C#N	ZINC001181414129	1205843047	/nfs/dbraw/zinc/84/30/47/1205843047.db2.gz	ZTSLJSWASRWAGX-YVEFUNNKSA-N	0	1	378.454	0.336	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCc1cnc[nH]1	ZINC001182146067	1205857857	/nfs/dbraw/zinc/85/78/57/1205857857.db2.gz	QQHQDYADVFCRMU-NEPJUHHUSA-N	0	1	388.446	0.380	20	30		GCEDMN
C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2	ZINC001273474271	1205861134	/nfs/dbraw/zinc/86/11/34/1205861134.db2.gz	NJMIUPDDYFWUMZ-IXDOHACOSA-N	0	1	379.526	0.828	20	30		GCEDMN
N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F	ZINC001110300774	1205870233	/nfs/dbraw/zinc/87/02/33/1205870233.db2.gz	MLQNKKNZKJITEM-XQHKEYJVSA-N	0	1	381.420	0.904	20	30		GCEDMN
N#Cc1nc(Cl)c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)nc1C#N	ZINC001185567729	1205924409	/nfs/dbraw/zinc/92/44/09/1205924409.db2.gz	FEQMFSSJDZHHMM-UHFFFAOYSA-N	0	1	387.772	0.854	20	30		GCEDMN
Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N(O)C(=O)CN1CC[C@H](O)C1	ZINC001186036373	1205933309	/nfs/dbraw/zinc/93/33/09/1205933309.db2.gz	XADZTDVWBKUDPP-VIFPVBQESA-N	0	1	398.782	0.807	20	30		GCEDMN
O=C1C=C2CN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)CCC2S1	ZINC001188506872	1205984883	/nfs/dbraw/zinc/98/48/83/1205984883.db2.gz	TVZORPNXCLUOQA-CQSZACIVSA-N	0	1	381.479	0.881	20	30		GCEDMN
CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001110421366	1206024337	/nfs/dbraw/zinc/02/43/37/1206024337.db2.gz	CXGXTBMQMIIIME-FMKPAKJESA-N	0	1	379.486	0.503	20	30		GCEDMN
CN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001110421366	1206024341	/nfs/dbraw/zinc/02/43/41/1206024341.db2.gz	CXGXTBMQMIIIME-FMKPAKJESA-N	0	1	379.486	0.503	20	30		GCEDMN
C=CCOC(=O)C[C@H](NS(=O)(=O)c1ncc(F)cc1F)C(=O)OCC=C	ZINC001190205216	1206030060	/nfs/dbraw/zinc/03/00/60/1206030060.db2.gz	LMFUCQYXDUMRFJ-LBPRGKRZSA-N	0	1	390.364	0.855	20	30		GCEDMN
COC(=O)c1cc(C#N)cnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164749676	720800334	/nfs/dbraw/zinc/80/03/34/720800334.db2.gz	UKIYBKNQVWYQRG-LSDHHAIUSA-N	0	1	380.408	0.872	20	30		GCEDMN
C=CCNC(=O)c1cccnc1N1CCn2cc(CN3CCN(C)CC3)nc2C1	ZINC001164798377	721518656	/nfs/dbraw/zinc/51/86/56/721518656.db2.gz	STRFWNVAZQQTBW-UHFFFAOYSA-N	0	1	395.511	0.962	20	30		GCEDMN
COc1cccc(C(=O)N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)c1	ZINC001571302281	946297230	/nfs/dbraw/zinc/29/72/30/946297230.db2.gz	TXCUEUYHKAISKG-UHFFFAOYSA-N	0	1	391.395	0.499	20	30		GCEDMN
N#Cc1ccccc1CNC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1	ZINC001571309652	946450328	/nfs/dbraw/zinc/45/03/28/946450328.db2.gz	GWMHIIXARDDAMP-HNNXBMFYSA-N	0	1	392.423	0.697	20	30		GCEDMN
C=CCS(=O)(=O)CCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1	ZINC000823931812	946520555	/nfs/dbraw/zinc/52/05/55/946520555.db2.gz	FXBXZEHYVYXPTG-UHFFFAOYSA-N	0	1	387.469	0.958	20	30		GCEDMN
CN(C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1ccnc(-c2nn[nH]n2)n1	ZINC001571314035	946538813	/nfs/dbraw/zinc/53/88/13/946538813.db2.gz	ZRMZFJOVULYQPZ-GFCCVEGCSA-N	0	1	392.427	0.845	20	30		GCEDMN
C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCN(CC#CCOC)CC1	ZINC001573281808	946678784	/nfs/dbraw/zinc/67/87/84/946678784.db2.gz	BWUKXOZBEZPLEZ-UHFFFAOYSA-N	0	1	381.440	0.384	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CC1	ZINC001573282447	946690505	/nfs/dbraw/zinc/69/05/05/946690505.db2.gz	JDTXIAJIQVPSKL-UHFFFAOYSA-N	0	1	380.456	0.256	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21	ZINC001573286111	946795215	/nfs/dbraw/zinc/79/52/15/946795215.db2.gz	UHWBNVBKQZLVJU-BMGDILEWSA-N	0	1	380.452	0.938	20	30		GCEDMN
C#Cc1ccc(C(=O)N(C)C[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1	ZINC001573287336	946834347	/nfs/dbraw/zinc/83/43/47/946834347.db2.gz	BAEBPCGZIZGYPI-CYBMUJFWSA-N	0	1	376.424	0.941	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573287518	946837002	/nfs/dbraw/zinc/83/70/02/946837002.db2.gz	JFNLBDMAOJIKKH-CQSZACIVSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1	ZINC001573287536	946841505	/nfs/dbraw/zinc/84/15/05/946841505.db2.gz	JJUUICGDPSFEDX-STQMWFEESA-N	0	1	376.424	0.987	20	30		GCEDMN
C#CCOCCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1	ZINC001573288328	946864757	/nfs/dbraw/zinc/86/47/57/946864757.db2.gz	UMGUJBPFKJHAMS-KRWDZBQOSA-N	0	1	383.456	0.681	20	30		GCEDMN
C#CCOCCC(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1	ZINC001573289009	946881372	/nfs/dbraw/zinc/88/13/72/946881372.db2.gz	ZTALMBYFIARAJH-CABCVRRESA-N	0	1	381.440	0.586	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cc1	ZINC001573289306	946885882	/nfs/dbraw/zinc/88/58/82/946885882.db2.gz	YFGILHUFALUGIR-HNNXBMFYSA-N	0	1	377.408	0.176	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1	ZINC001573290141	946897997	/nfs/dbraw/zinc/89/79/97/946897997.db2.gz	FUFRXQQCTAZURL-BBRMVZONSA-N	0	1	388.435	0.880	20	30		GCEDMN
C#CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1	ZINC001573290278	946900756	/nfs/dbraw/zinc/90/07/56/946900756.db2.gz	VBOSOXYMFGDQLP-OLZOCXBDSA-N	0	1	392.423	0.710	20	30		GCEDMN
C#CCOc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1	ZINC001573290313	946903175	/nfs/dbraw/zinc/90/31/75/946903175.db2.gz	WGTZQYLATZOUKD-CQSZACIVSA-N	0	1	390.407	0.417	20	30		GCEDMN
C#Cc1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573290311	946903446	/nfs/dbraw/zinc/90/34/46/946903446.db2.gz	WDOVUTMCUUKUBB-UHFFFAOYSA-N	0	1	375.396	0.170	20	30		GCEDMN
C#Cc1cncc(C(=O)N2CC[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1	ZINC001573291377	946917491	/nfs/dbraw/zinc/91/74/91/946917491.db2.gz	BJZHPEFQFCTLFO-OAHLLOKOSA-N	0	1	388.435	0.943	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1	ZINC001573291874	946924857	/nfs/dbraw/zinc/92/48/57/946924857.db2.gz	LIXZJOYUVOWRHK-DZGCQCFKSA-N	0	1	389.423	0.466	20	30		GCEDMN
C=C(C)CN(CC)C(=O)CNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001573293687	946965657	/nfs/dbraw/zinc/96/56/57/946965657.db2.gz	GIIPJZSMMAQDES-UHFFFAOYSA-N	0	1	386.460	0.471	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573565504	947008413	/nfs/dbraw/zinc/00/84/13/947008413.db2.gz	RKAPBLSCSOODEQ-LBPRGKRZSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573565504	947008423	/nfs/dbraw/zinc/00/84/23/947008423.db2.gz	RKAPBLSCSOODEQ-LBPRGKRZSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573565504	947008432	/nfs/dbraw/zinc/00/84/32/947008432.db2.gz	RKAPBLSCSOODEQ-LBPRGKRZSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573565504	947008439	/nfs/dbraw/zinc/00/84/39/947008439.db2.gz	RKAPBLSCSOODEQ-LBPRGKRZSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566299	947024036	/nfs/dbraw/zinc/02/40/36/947024036.db2.gz	AUTVJHFPYCJUOJ-OLZOCXBDSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566299	947024039	/nfs/dbraw/zinc/02/40/39/947024039.db2.gz	AUTVJHFPYCJUOJ-OLZOCXBDSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567949	947059730	/nfs/dbraw/zinc/05/97/30/947059730.db2.gz	VFQPFYHXHNCNDV-KZULUSFZSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567951	947060780	/nfs/dbraw/zinc/06/07/80/947060780.db2.gz	VFQPFYHXHNCNDV-XIKOKIGWSA-N	0	1	387.419	0.609	20	30		GCEDMN
C=C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1ccccc1	ZINC001573298906	947086024	/nfs/dbraw/zinc/08/60/24/947086024.db2.gz	AJZONHCEOLXDIS-ZNMIVQPWSA-N	0	1	392.423	0.292	20	30		GCEDMN
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573300944	947126537	/nfs/dbraw/zinc/12/65/37/947126537.db2.gz	WTAPQTUBIHWNPP-LRDDRELGSA-N	0	1	386.460	0.380	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573584547	947226962	/nfs/dbraw/zinc/22/69/62/947226962.db2.gz	XXNVPGZWAWMGDB-SFYZADRCSA-N	0	1	382.837	0.458	20	30		GCEDMN
C=CCCCN1CC(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1	ZINC001573334900	947466432	/nfs/dbraw/zinc/46/64/32/947466432.db2.gz	JFTFZYNALBJWHU-ZDUSSCGKSA-N	0	1	384.444	0.176	20	30		GCEDMN
C=CCCOCC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573336770	947511599	/nfs/dbraw/zinc/51/15/99/947511599.db2.gz	QYZDLUMMYHEDED-AWEZNQCLSA-N	0	1	387.444	0.306	20	30		GCEDMN
COc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc(OC)c1OC	ZINC000826180332	947559092	/nfs/dbraw/zinc/55/90/92/947559092.db2.gz	CCULOYUAVVJLNS-UHFFFAOYSA-N	0	1	384.356	0.599	20	30		GCEDMN
C=CCOC[C@@H](NS(=O)(=O)Cc1csc(-c2nn[nH]n2)c1)C(=O)OC	ZINC001573343552	947559810	/nfs/dbraw/zinc/55/98/10/947559810.db2.gz	QCOXJTCJJYBMGS-SNVBAGLBSA-N	0	1	387.443	0.092	20	30		GCEDMN
C=CCOCC(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)nc2)CC1	ZINC001573343958	947564370	/nfs/dbraw/zinc/56/43/70/947564370.db2.gz	VDMMYSZAXDRNIC-UHFFFAOYSA-N	0	1	386.460	0.457	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573352053	947626321	/nfs/dbraw/zinc/62/63/21/947626321.db2.gz	YYCLMIPWGGEDET-OLZOCXBDSA-N	0	1	386.460	0.566	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1Cc1nc(N)nc(Nc2ccc(F)cc2)n1	ZINC000826382920	948179689	/nfs/dbraw/zinc/17/96/89/948179689.db2.gz	AUBUJRVIIKNEMI-UHFFFAOYSA-N	0	1	378.335	0.633	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000826383358	948181555	/nfs/dbraw/zinc/18/15/55/948181555.db2.gz	XCDBJCFENJNLNH-UHFFFAOYSA-N	0	1	381.312	0.012	20	30		GCEDMN
CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001575854455	949232423	/nfs/dbraw/zinc/23/24/23/949232423.db2.gz	XQSFBIUYMIHTMV-UHFFFAOYSA-N	0	1	378.400	0.385	20	30		GCEDMN
CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(C#N)c[nH]1	ZINC001573818290	949726117	/nfs/dbraw/zinc/72/61/17/949726117.db2.gz	JYLOHCWHFQCZAA-LBPRGKRZSA-N	0	1	380.416	0.535	20	30		GCEDMN
C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575889881	949937971	/nfs/dbraw/zinc/93/79/71/949937971.db2.gz	UPDLCNAIDALYIQ-GWCFXTLKSA-N	0	1	378.400	0.644	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H](C#N)C1	ZINC001573851961	950295610	/nfs/dbraw/zinc/29/56/10/950295610.db2.gz	AUQNZXPQUNJZCZ-ONGXEEELSA-N	0	1	382.388	0.699	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C[C@H]2C1	ZINC001573857018	950399350	/nfs/dbraw/zinc/39/93/50/950399350.db2.gz	KWZUTSNUUXHCCS-PHIMTYICSA-N	0	1	383.416	0.831	20	30		GCEDMN
CC(C)(C)OC(=O)NC[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1	ZINC001573860084	950415999	/nfs/dbraw/zinc/41/59/99/950415999.db2.gz	DJLYHGKAJNVEOZ-JTQLQIEISA-N	0	1	387.404	0.258	20	30		GCEDMN
N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)[nH]1	ZINC001571128803	952570866	/nfs/dbraw/zinc/57/08/66/952570866.db2.gz	WUSPEMYUBJAGQU-CYBMUJFWSA-N	0	1	377.412	0.990	20	30		GCEDMN
C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001571136437	952614354	/nfs/dbraw/zinc/61/43/54/952614354.db2.gz	QIIFOEINLVJIPY-JQWIXIFHSA-N	0	1	378.400	0.099	20	30		GCEDMN
N#Cc1ncc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1-c1nn[nH]n1	ZINC001571139641	952621344	/nfs/dbraw/zinc/62/13/44/952621344.db2.gz	KFPAUBMMJZKXFT-UHFFFAOYSA-N	0	1	379.359	0.630	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCOC2(CCN(c3ccncc3-c3nn[nH]n3)CC2)C1	ZINC001571200704	953010400	/nfs/dbraw/zinc/01/04/00/953010400.db2.gz	KBJNWOIAACDEGD-CYBMUJFWSA-N	0	1	382.428	0.619	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2	ZINC001571223170	953142351	/nfs/dbraw/zinc/14/23/51/953142351.db2.gz	PELUIMFLVZSQFU-LBPRGKRZSA-N	0	1	383.416	0.014	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2	ZINC001571223169	953142553	/nfs/dbraw/zinc/14/25/53/953142553.db2.gz	PELUIMFLVZSQFU-GFCCVEGCSA-N	0	1	383.416	0.014	20	30		GCEDMN
C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1	ZINC001588396056	958047019	/nfs/dbraw/zinc/04/70/19/958047019.db2.gz	STWRQABEDGGGFT-GOSISDBHSA-N	0	1	383.445	0.148	20	30		GCEDMN
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574494098	961725154	/nfs/dbraw/zinc/72/51/54/961725154.db2.gz	WUDIXMZIVXQZSO-LIRRHRJNSA-N	0	1	381.392	0.715	20	30		GCEDMN
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574494098	961725163	/nfs/dbraw/zinc/72/51/63/961725163.db2.gz	WUDIXMZIVXQZSO-LIRRHRJNSA-N	0	1	381.392	0.715	20	30		GCEDMN
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)cn1	ZINC001605488203	973615596	/nfs/dbraw/zinc/61/55/96/973615596.db2.gz	FUAKHSKYBXMVIC-BFYDXBDKSA-N	0	1	376.457	0.982	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H](C(=O)[O-])C1	ZINC001598607325	993688624	/nfs/dbraw/zinc/68/86/24/993688624.db2.gz	PBZXXMJCWGBRST-BFHYXJOUSA-N	0	1	395.460	0.403	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC001598781071	995985226	/nfs/dbraw/zinc/98/52/26/995985226.db2.gz	WCAVKPGOZGEKLU-BFYDXBDKSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1	ZINC001598917790	997508547	/nfs/dbraw/zinc/50/85/47/997508547.db2.gz	PDJVGIQFLMASAZ-UHFFFAOYSA-N	0	1	395.437	0.514	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)c(F)c1	ZINC000551225876	530252500	/nfs/dbraw/zinc/25/25/00/530252500.db2.gz	UJFHNKBDKWBVCI-UHFFFAOYSA-N	0	1	380.394	0.054	20	30		GCEDMN
CCOc1ccc(C#N)cc1NS(=O)(=O)CCCS(=O)(=O)N(C)C	ZINC000584224764	530360152	/nfs/dbraw/zinc/36/01/52/530360152.db2.gz	RZKULKLUMDEFHT-UHFFFAOYSA-N	0	1	375.472	0.980	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)c(C)cn1	ZINC000594638701	530432959	/nfs/dbraw/zinc/43/29/59/530432959.db2.gz	CYKSWPTUGFFYEW-UHFFFAOYSA-N	0	1	386.499	0.427	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)c(C)cn1	ZINC000594637499	530437578	/nfs/dbraw/zinc/43/75/78/530437578.db2.gz	OSNKZVJJWIOMSK-UHFFFAOYSA-N	0	1	388.515	0.721	20	30		GCEDMN
CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000534137295	530522433	/nfs/dbraw/zinc/52/24/33/530522433.db2.gz	FOCZJNIIYBXQEZ-LBPRGKRZSA-N	0	1	389.455	0.370	20	30		GCEDMN
CCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC#N)cc1	ZINC000567752572	530547714	/nfs/dbraw/zinc/54/77/14/530547714.db2.gz	ORHIIXKTRCBPNP-UHFFFAOYSA-N	0	1	388.515	0.451	20	30		GCEDMN
CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)CC)cc1	ZINC000566572001	530532325	/nfs/dbraw/zinc/53/23/25/530532325.db2.gz	MQRZEBVKSFCMJA-ZDUSSCGKSA-N	0	1	388.515	0.497	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@H]1C	ZINC000330957988	530534278	/nfs/dbraw/zinc/53/42/78/530534278.db2.gz	NYZYZOGBKXNPTE-NEPJUHHUSA-N	0	1	375.516	0.953	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1	ZINC000572855794	530572394	/nfs/dbraw/zinc/57/23/94/530572394.db2.gz	MJSFZXAKOJWJFT-STQMWFEESA-N	0	1	388.515	0.448	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)s1	ZINC000544705240	530577790	/nfs/dbraw/zinc/57/77/90/530577790.db2.gz	STEFDMALIYKWKC-UHFFFAOYSA-N	0	1	386.499	0.031	20	30		GCEDMN
CC[C@@H]1CN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCN1C[C@@H](C)O	ZINC000329763735	530620511	/nfs/dbraw/zinc/62/05/11/530620511.db2.gz	UWTGJBRLIDUOLH-RBSFLKMASA-N	0	1	376.523	0.101	20	30		GCEDMN
CC[C@@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N	ZINC000349476584	530647565	/nfs/dbraw/zinc/64/75/65/530647565.db2.gz	HNHJOKHCVFTDCV-HUUCEWRRSA-N	0	1	394.563	0.296	20	30		GCEDMN
COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000485939484	530747275	/nfs/dbraw/zinc/74/72/75/530747275.db2.gz	XZEVAQZNKYGKQJ-UONOGXRCSA-N	0	1	376.381	0.935	20	30		GCEDMN
CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1	ZINC000581954325	530769148	/nfs/dbraw/zinc/76/91/48/530769148.db2.gz	SMZYWOYKGOTFLU-OAHLLOKOSA-N	0	1	388.515	0.353	20	30		GCEDMN
CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(F)(F)F	ZINC000508111855	530818169	/nfs/dbraw/zinc/81/81/69/530818169.db2.gz	XNJQHADDTFFBQF-QMMMGPOBSA-N	0	1	391.418	0.720	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC=CCC1	ZINC000594637870	530874941	/nfs/dbraw/zinc/87/49/41/530874941.db2.gz	MHTNZSODIPEVTF-UHFFFAOYSA-N	0	1	387.487	0.498	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000429725172	530901364	/nfs/dbraw/zinc/90/13/64/530901364.db2.gz	YFJURTPOCOZBJW-JKSUJKDBSA-N	0	1	385.511	0.782	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000429725171	530901519	/nfs/dbraw/zinc/90/15/19/530901519.db2.gz	YFJURTPOCOZBJW-HZPDHXFCSA-N	0	1	385.511	0.782	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000429725169	530901522	/nfs/dbraw/zinc/90/15/22/530901522.db2.gz	YFJURTPOCOZBJW-CVEARBPZSA-N	0	1	385.511	0.782	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C	ZINC000349505274	530884140	/nfs/dbraw/zinc/88/41/40/530884140.db2.gz	NICNJVBGOYTMDU-GFCCVEGCSA-N	0	1	389.503	0.721	20	30		GCEDMN
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C	ZINC000520997358	530963070	/nfs/dbraw/zinc/96/30/70/530963070.db2.gz	JFHGODRQVDYKTA-AWEZNQCLSA-N	0	1	376.523	0.918	20	30		GCEDMN
CN(C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000499111034	530941616	/nfs/dbraw/zinc/94/16/16/530941616.db2.gz	RENMTOYRCYMPJI-OAHLLOKOSA-N	0	1	385.511	0.688	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S	ZINC000273115444	531006764	/nfs/dbraw/zinc/00/67/64/531006764.db2.gz	RVLRXVIGXPSPOY-UHFFFAOYSA-N	0	1	381.479	0.792	20	30		GCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1	ZINC000514735402	531083258	/nfs/dbraw/zinc/08/32/58/531083258.db2.gz	ZMUBNRAUKNPOAI-LBPRGKRZSA-N	0	1	386.499	0.249	20	30		GCEDMN
O=C(NCC#CCO)c1c[nH]c2ccc(I)cc2c1=O	ZINC000550101771	531130347	/nfs/dbraw/zinc/13/03/47/531130347.db2.gz	VIGPVCOTIFIZBB-UHFFFAOYSA-N	0	1	382.157	0.858	20	30		GCEDMN
N#CCCNS(=O)(=O)c1ccc(C(=O)N=c2cc[nH]cc2-c2nn[nH]n2)cc1	ZINC000737694402	599255988	/nfs/dbraw/zinc/25/59/88/599255988.db2.gz	NHVDTYKKOWZSAP-UHFFFAOYSA-N	0	1	398.408	0.128	20	30		GCEDMN
N#Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)nc1	ZINC000737708588	598459560	/nfs/dbraw/zinc/45/95/60/598459560.db2.gz	DYMKBQAHEJPDAQ-UHFFFAOYSA-N	0	1	391.395	0.961	20	30		GCEDMN
C#CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21	ZINC000735381185	598721657	/nfs/dbraw/zinc/72/16/57/598721657.db2.gz	NEROTIGOIPXYGF-UHFFFAOYSA-N	0	1	387.197	0.694	20	30		GCEDMN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1	ZINC000825631686	601170477	/nfs/dbraw/zinc/17/04/77/601170477.db2.gz	JADLLMNQWPARCO-ZDUSSCGKSA-N	0	1	391.399	0.784	20	30		GCEDMN
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1	ZINC000825626111	601173111	/nfs/dbraw/zinc/17/31/11/601173111.db2.gz	UIEZHOWBHYBRSI-ZDUSSCGKSA-N	0	1	391.399	0.784	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C3(C(=O)[O-])CCCC3)CC2)o1	ZINC000832995181	604464771	/nfs/dbraw/zinc/46/47/71/604464771.db2.gz	TXDAAYHANBSGPR-UHFFFAOYSA-N	0	1	375.429	0.833	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C3(C(=O)[O-])CCCC3)CC2)o1	ZINC000832995181	604464776	/nfs/dbraw/zinc/46/47/76/604464776.db2.gz	TXDAAYHANBSGPR-UHFFFAOYSA-N	0	1	375.429	0.833	20	30		GCEDMN
CCN(C[C@H](C)C#N)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2nc(C)ccc21	ZINC000825399415	607715630	/nfs/dbraw/zinc/71/56/30/607715630.db2.gz	SHGQZECZENYNKM-LLVKDONJSA-N	0	1	380.412	0.893	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)CC1	ZINC000833466712	605042094	/nfs/dbraw/zinc/04/20/94/605042094.db2.gz	MHHBUYSANHHBSX-DLBZAZTESA-N	0	1	380.489	0.634	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1	ZINC000833376433	605060625	/nfs/dbraw/zinc/06/06/25/605060625.db2.gz	FMQLKCCUZLYMFV-AWEZNQCLSA-N	0	1	395.481	0.772	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1	ZINC000833376433	605060627	/nfs/dbraw/zinc/06/06/27/605060627.db2.gz	FMQLKCCUZLYMFV-AWEZNQCLSA-N	0	1	395.481	0.772	20	30		GCEDMN
COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C(=O)[O-])C1	ZINC000833709155	605692803	/nfs/dbraw/zinc/69/28/03/605692803.db2.gz	RBZCTFAATBFUAT-BFYDXBDKSA-N	0	1	376.409	0.831	20	30		GCEDMN
C#CCN1CCN(C(=O)CN(CCC)Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819702221	606373181	/nfs/dbraw/zinc/37/31/81/606373181.db2.gz	UJABKGXKBPQEBN-UHFFFAOYSA-N	0	1	381.484	0.856	20	30		GCEDMN
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1	ZINC000822800933	606655839	/nfs/dbraw/zinc/65/58/39/606655839.db2.gz	AZYTUTFGTGXFIK-CQSZACIVSA-N	0	1	396.390	0.006	20	30		GCEDMN
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000823877813	608035420	/nfs/dbraw/zinc/03/54/20/608035420.db2.gz	GJDJIAYZUSYKCW-GFCCVEGCSA-N	0	1	375.481	0.850	20	30		GCEDMN
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000823877813	608035421	/nfs/dbraw/zinc/03/54/21/608035421.db2.gz	GJDJIAYZUSYKCW-GFCCVEGCSA-N	0	1	375.481	0.850	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)Nc1ccc(C#N)cc1	ZINC000825935032	608036878	/nfs/dbraw/zinc/03/68/78/608036878.db2.gz	SFVIBOBXNRKAKA-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)Nc1ccc(C#N)cc1	ZINC000825935032	608036879	/nfs/dbraw/zinc/03/68/79/608036879.db2.gz	SFVIBOBXNRKAKA-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)Nc1ccc(C#N)cc1	ZINC000825935032	608036880	/nfs/dbraw/zinc/03/68/80/608036880.db2.gz	SFVIBOBXNRKAKA-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)Nc1ccc(C#N)cc1	ZINC000825935032	608036881	/nfs/dbraw/zinc/03/68/81/608036881.db2.gz	SFVIBOBXNRKAKA-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
COc1cc(NC(=O)CCn2cnc(-c3nn[nH]n3)c2C#N)cc(OC)c1OC	ZINC000826180713	609187082	/nfs/dbraw/zinc/18/70/82/609187082.db2.gz	TWNKWHVAVRUMST-UHFFFAOYSA-N	0	1	398.383	0.989	20	30		GCEDMN
C=CCNC(=O)CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823919321	609190435	/nfs/dbraw/zinc/19/04/35/609190435.db2.gz	BZSBDAPWRUJLJO-UHFFFAOYSA-N	0	1	398.471	0.386	20	30		GCEDMN
Cc1c(C=NNC2=NC[C@@H](C)N2)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1	ZINC000826235219	609519479	/nfs/dbraw/zinc/51/94/79/609519479.db2.gz	FPHRAEZPGNWTDI-SECBINFHSA-N	0	1	390.411	0.541	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1	ZINC000328774995	638494424	/nfs/dbraw/zinc/49/44/24/638494424.db2.gz	FBMYFIXEAZTRLT-HUUCEWRRSA-N	0	1	376.523	0.128	20	30		GCEDMN
N#CCn1cc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cn1	ZINC000726766938	638680478	/nfs/dbraw/zinc/68/04/78/638680478.db2.gz	TVBNAYABZUEWPN-UHFFFAOYSA-N	0	1	381.439	0.747	20	30		GCEDMN
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#CCN(C)C	ZINC000913515438	639581455	/nfs/dbraw/zinc/58/14/55/639581455.db2.gz	XHFMQGUUZIRAKX-MRXNPFEDSA-N	0	1	383.539	0.768	20	30		GCEDMN
CNS(=O)(=O)c1cc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)co1	ZINC000756404916	640490497	/nfs/dbraw/zinc/49/04/97/640490497.db2.gz	OINBNVYKQWLNQD-SNVBAGLBSA-N	0	1	383.407	0.986	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(F)(F)Br)c1ccn[nH]1	ZINC000805249276	640607573	/nfs/dbraw/zinc/60/75/73/640607573.db2.gz	YKXMQRAOHJLVLC-UHFFFAOYSA-N	0	1	383.149	0.797	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O	ZINC000771889360	640835304	/nfs/dbraw/zinc/83/53/04/640835304.db2.gz	JMDRDNCXMGDQRM-UHFFFAOYSA-N	0	1	391.236	0.703	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccsc2C(F)(F)F)c(=O)n(C)c1=O	ZINC000863103578	641223902	/nfs/dbraw/zinc/22/39/02/641223902.db2.gz	DANFNRMZLRNWRJ-UHFFFAOYSA-N	0	1	396.372	0.477	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@H](C(F)(F)F)C2)c(=O)n(C)c1=O	ZINC000783522679	641270182	/nfs/dbraw/zinc/27/01/82/641270182.db2.gz	XOSPDNJCQBXDNK-QMMMGPOBSA-N	0	1	382.364	0.471	20	30		GCEDMN
CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC000881790762	641651931	/nfs/dbraw/zinc/65/19/31/641651931.db2.gz	XXBIZZYUYVXINB-XMMPIXPASA-N	0	1	387.531	0.741	20	30		GCEDMN
CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC000881825925	641656875	/nfs/dbraw/zinc/65/68/75/641656875.db2.gz	QIXOWQCCJDDICQ-DEOSSOPVSA-N	0	1	387.531	0.741	20	30		GCEDMN
N#C[C@@]12CN(C(=O)C3CCN([C@@H]4CCSC4)CC3)C[C@@H]1CS(=O)(=O)C2	ZINC000885311931	641804041	/nfs/dbraw/zinc/80/40/41/641804041.db2.gz	IMIOQDPNSIPSOV-INMHGKMJSA-N	0	1	383.539	0.601	20	30		GCEDMN
Cc1nnsc1CN=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1	ZINC000814215803	641804848	/nfs/dbraw/zinc/80/48/48/641804848.db2.gz	WBPNAKCOSYSSSC-UHFFFAOYSA-N	0	1	381.487	0.624	20	30		GCEDMN
CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1csnn1	ZINC000814745600	641813537	/nfs/dbraw/zinc/81/35/37/641813537.db2.gz	ATNIPKWPKYIPHY-UHFFFAOYSA-N	0	1	381.487	0.705	20	30		GCEDMN
N#C[C@]12CN(C(=O)C3CCN([C@@H]4CCSC4)CC3)C[C@@H]1CS(=O)(=O)C2	ZINC000886208430	641837258	/nfs/dbraw/zinc/83/72/58/641837258.db2.gz	IMIOQDPNSIPSOV-BFYDXBDKSA-N	0	1	383.539	0.601	20	30		GCEDMN
C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000928657862	641950860	/nfs/dbraw/zinc/95/08/60/641950860.db2.gz	BUPCZHQAXSYUOU-UHFFFAOYSA-N	0	1	375.903	0.894	20	30		GCEDMN
C#CCN(C(C)C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C)ncc1C	ZINC000903640396	642197430	/nfs/dbraw/zinc/19/74/30/642197430.db2.gz	MZCYMHBTUGAWBG-UHFFFAOYSA-N	0	1	387.527	0.926	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000834495713	642213301	/nfs/dbraw/zinc/21/33/01/642213301.db2.gz	YJXZFPIBHXBPRK-BXKDBHETSA-N	0	1	376.360	0.211	20	30		GCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000834501083	642214144	/nfs/dbraw/zinc/21/41/44/642214144.db2.gz	ZHIFUUCZJRSMQL-VYUIOLGVSA-N	0	1	391.225	0.661	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CNC[C@@H]3C#N)C2)s1	ZINC000834516646	642214596	/nfs/dbraw/zinc/21/45/96/642214596.db2.gz	KHSZWPZKFJAKKZ-MELADBBJSA-N	0	1	382.511	0.685	20	30		GCEDMN
C#C[C@@H](CO)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000867342756	642390420	/nfs/dbraw/zinc/39/04/20/642390420.db2.gz	CLUNXPNOXJVIMF-APBUJDDRSA-N	0	1	381.273	0.734	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000848960442	642581633	/nfs/dbraw/zinc/58/16/33/642581633.db2.gz	AZOLHLPAEWYFRV-ZDUSSCGKSA-N	0	1	384.483	0.749	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(C)ccc1OC	ZINC000848961136	642584574	/nfs/dbraw/zinc/58/45/74/642584574.db2.gz	QEJQWSKSUXFHEL-CYBMUJFWSA-N	0	1	389.499	0.814	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848961147	642584639	/nfs/dbraw/zinc/58/46/39/642584639.db2.gz	QMZKWTBKOVVQDZ-SNVBAGLBSA-N	0	1	380.879	0.545	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C	ZINC000848961281	642584925	/nfs/dbraw/zinc/58/49/25/642584925.db2.gz	WGFJFDJYTOXYLY-UHFFFAOYSA-N	0	1	376.504	0.832	20	30		GCEDMN
C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848963605	642595126	/nfs/dbraw/zinc/59/51/26/642595126.db2.gz	WOLUHTIEQKWWMZ-SNVBAGLBSA-N	0	1	380.879	0.593	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(F)(F)F)[nH]1	ZINC000848964520	642599612	/nfs/dbraw/zinc/59/96/12/642599612.db2.gz	ALIIEKWCLHEODM-MRVPVSSYSA-N	0	1	388.393	0.501	20	30		GCEDMN
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1	ZINC000848965373	642603176	/nfs/dbraw/zinc/60/31/76/642603176.db2.gz	NMOUIQSWEZNHKW-DGCLKSJQSA-N	0	1	390.487	0.334	20	30		GCEDMN
C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1[nH]nc(C(F)(F)F)c1C	ZINC000848967371	642611633	/nfs/dbraw/zinc/61/16/33/642611633.db2.gz	ZITDTMRYRBVIQI-UHFFFAOYSA-N	0	1	388.393	0.421	20	30		GCEDMN
C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C(F)(F)F)c1C	ZINC000848967371	642611636	/nfs/dbraw/zinc/61/16/36/642611636.db2.gz	ZITDTMRYRBVIQI-UHFFFAOYSA-N	0	1	388.393	0.421	20	30		GCEDMN
C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848967435	642611640	/nfs/dbraw/zinc/61/16/40/642611640.db2.gz	CEYMXKHRULIVBY-SECBINFHSA-N	0	1	381.867	0.341	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848968782	642617008	/nfs/dbraw/zinc/61/70/08/642617008.db2.gz	KFLOZTKCEIZMOS-UHFFFAOYSA-N	0	1	380.879	0.547	20	30		GCEDMN
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1	ZINC000662962193	1192170683	/nfs/dbraw/zinc/17/06/83/1192170683.db2.gz	ZZEMUSFZOSZNGR-DLBZAZTESA-N	0	1	376.501	0.472	20	30		GCEDMN
CCn1c(N)c(C(=O)CNC2(c3cccc(C#N)c3)CCOCC2)c(=O)[nH]c1=O	ZINC000661781687	1192181231	/nfs/dbraw/zinc/18/12/31/1192181231.db2.gz	ITIFEVGWTKHDSD-UHFFFAOYSA-N	0	1	397.435	0.901	20	30		GCEDMN
C#CCN1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000977855469	1192189645	/nfs/dbraw/zinc/18/96/45/1192189645.db2.gz	QLMVXMAVXAMWNK-NADOGSGZSA-N	0	1	385.508	0.814	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000978096127	1192197994	/nfs/dbraw/zinc/19/79/94/1192197994.db2.gz	DZLUFUHYQUVYJW-ROMHJBHXSA-N	0	1	385.508	0.814	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000662167625	1192251440	/nfs/dbraw/zinc/25/14/40/1192251440.db2.gz	CDKCROFVQVERJM-QGZVFWFLSA-N	0	1	393.509	0.145	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000662168220	1192251821	/nfs/dbraw/zinc/25/18/21/1192251821.db2.gz	YRUZCOARMNXHTB-MRXNPFEDSA-N	0	1	381.498	0.273	20	30		GCEDMN
CN(C)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccc(F)cc1	ZINC000585716324	1192396502	/nfs/dbraw/zinc/39/65/02/1192396502.db2.gz	JHUUECQCHVVENR-QGZVFWFLSA-N	0	1	375.448	0.649	20	30		GCEDMN
C=CCc1ccc(OC[C@H](O)CN2CCC[C@]3(C2)NC(=O)NC3=O)c(OC)c1	ZINC000279122316	1192469281	/nfs/dbraw/zinc/46/92/81/1192469281.db2.gz	UWGFCKXWOUJDIJ-FOIQADDNSA-N	0	1	389.452	0.837	20	30		GCEDMN
CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(CCC#N)CCC#N	ZINC000785384443	1192599709	/nfs/dbraw/zinc/59/97/09/1192599709.db2.gz	FSWJGMNNIUJWGW-UHFFFAOYSA-N	0	1	378.410	0.871	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1	ZINC000418908190	1192686394	/nfs/dbraw/zinc/68/63/94/1192686394.db2.gz	MKLUTUGRSYFRKO-JKIFEVAISA-N	0	1	383.452	0.379	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1)c1cc[nH]n1	ZINC000279929337	1192838359	/nfs/dbraw/zinc/83/83/59/1192838359.db2.gz	BZMAVSUBQYRDEP-PSHXDBNLSA-N	0	1	380.401	0.100	20	30		GCEDMN
C[C@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nn[nH]n1	ZINC000274737112	1184234538	/nfs/dbraw/zinc/23/45/38/1184234538.db2.gz	DUSNIIKWFCAPOA-MNOVXSKESA-N	0	1	377.430	0.000	20	30		GCEDMN
C[C@@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nn[nH]n1	ZINC000274777309	1184298201	/nfs/dbraw/zinc/29/82/01/1184298201.db2.gz	NAYBTNASQOGULY-QWRGUYRKSA-N	0	1	377.430	0.000	20	30		GCEDMN
C[C@H](CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nn[nH]n1	ZINC000274777304	1184298274	/nfs/dbraw/zinc/29/82/74/1184298274.db2.gz	NAYBTNASQOGULY-GHMZBOCLSA-N	0	1	377.430	0.000	20	30		GCEDMN
Cn1cc(N2C[C@@]3(COCCN(CCc4ccc(C#N)cc4)C3)OCC2=O)cn1	ZINC001208926145	1184422771	/nfs/dbraw/zinc/42/27/71/1184422771.db2.gz	CBMKOHJXVNCTHJ-NRFANRHFSA-N	0	1	395.463	0.969	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC(CCO)(CCO)CC1)c1cc[nH]n1	ZINC001648791019	1184475026	/nfs/dbraw/zinc/47/50/26/1184475026.db2.gz	CQKRYKMNBWJUIG-UHFFFAOYSA-N	0	1	396.444	0.067	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1	ZINC000888997358	1184485041	/nfs/dbraw/zinc/48/50/41/1184485041.db2.gz	AUMJBWAPFCMFST-UHFFFAOYSA-N	0	1	380.514	0.470	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)CCN(C)CC2)cc1	ZINC000888997358	1184485043	/nfs/dbraw/zinc/48/50/43/1184485043.db2.gz	AUMJBWAPFCMFST-UHFFFAOYSA-N	0	1	380.514	0.470	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1	ZINC000970076049	1184509498	/nfs/dbraw/zinc/50/94/98/1184509498.db2.gz	VHTMJKDZFFOTKE-BDXSIMOUSA-N	0	1	379.501	0.387	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1	ZINC000430417601	1184701231	/nfs/dbraw/zinc/70/12/31/1184701231.db2.gz	XAYBGYKOEKYZNT-MSOLQXFVSA-N	0	1	379.501	0.655	20	30		GCEDMN
C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)CCO3)n[nH]2)c1C	ZINC001648871284	1184869538	/nfs/dbraw/zinc/86/95/38/1184869538.db2.gz	OJKAMOCNUWRZAE-UHFFFAOYSA-N	0	1	379.442	0.878	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)n[nH]c2C(C)C)C[C@@H]1O	ZINC000970706393	1184977029	/nfs/dbraw/zinc/97/70/29/1184977029.db2.gz	ILKHRQISGBEIFH-KBXIAJHMSA-N	0	1	376.457	0.734	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@@H]1O	ZINC000970706674	1184977681	/nfs/dbraw/zinc/97/76/81/1184977681.db2.gz	LCHWCQQHFKUFEC-OJLVUWQFSA-N	0	1	376.457	0.501	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3cncn3c2C)C[C@@H]1O	ZINC000970711441	1184980303	/nfs/dbraw/zinc/98/03/03/1184980303.db2.gz	FXTKKKSZZYAYJE-BDXSIMOUSA-N	0	1	384.436	0.535	20	30		GCEDMN
N#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1	ZINC000610413822	1185149930	/nfs/dbraw/zinc/14/99/30/1185149930.db2.gz	WHUCPUIUULSKDD-UHFFFAOYSA-N	0	1	392.481	0.894	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3[C@H]2C(=O)[O-])c1	ZINC000580789041	1185361988	/nfs/dbraw/zinc/36/19/88/1185361988.db2.gz	YCUSGUMQDFOEHA-HOTGVXAUSA-N	0	1	393.465	0.524	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCO[C@H]4C=C)C[C@H]32)CC1	ZINC001021886659	1185661046	/nfs/dbraw/zinc/66/10/46/1185661046.db2.gz	LBACFTGOGMOROI-NMLBUPMWSA-N	0	1	385.508	0.982	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)c1nnc2ccccn21)c1ccn[nH]1	ZINC000276454552	1185829470	/nfs/dbraw/zinc/82/94/70/1185829470.db2.gz	BHPRNZZYJUXQAC-DJYLNSBBSA-N	0	1	385.384	0.614	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)Nc1ccccc1)c1ccn[nH]1	ZINC000276529044	1185867932	/nfs/dbraw/zinc/86/79/32/1185867932.db2.gz	DMUKYTLBJOVTBC-DWXAVSTPSA-N	0	1	387.396	0.837	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCC(=O)N(CC)CC)c1ccn[nH]1	ZINC000276563346	1185902408	/nfs/dbraw/zinc/90/24/08/1185902408.db2.gz	JJTXOAQZZAMDBY-LTGZKZEYSA-N	0	1	381.433	0.458	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCOC1CCOCC1)c1ccn[nH]1	ZINC000276613914	1185929971	/nfs/dbraw/zinc/92/99/71/1185929971.db2.gz	PXWXYBJJMKMCNM-LTGZKZEYSA-N	0	1	382.417	0.395	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21	ZINC000728369232	1185938070	/nfs/dbraw/zinc/93/80/70/1185938070.db2.gz	PQWDTNXERZYOKX-MNOVXSKESA-N	0	1	387.396	0.625	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cn2cccc(C)c2n1)c1ccn[nH]1	ZINC000276666398	1185941208	/nfs/dbraw/zinc/94/12/08/1185941208.db2.gz	YSBPWBDHQXIGTL-XQNSMLJCSA-N	0	1	384.396	0.966	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCC(=O)Nc1ccccc1)c1ccn[nH]1	ZINC000276674438	1185950040	/nfs/dbraw/zinc/95/00/40/1185950040.db2.gz	ZQIJKIGFDBRBQX-HAVVHWLPSA-N	0	1	387.396	0.839	20	30		GCEDMN
Cn1cc(C#N)c(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)n1	ZINC000610562612	1185986072	/nfs/dbraw/zinc/98/60/72/1185986072.db2.gz	YYUVNJMRFVJMMM-UHFFFAOYSA-N	0	1	383.460	0.806	20	30		GCEDMN
COCC(=O)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1	ZINC000328860519	1185987449	/nfs/dbraw/zinc/98/74/49/1185987449.db2.gz	LLCKNNPQXFTULA-UHFFFAOYSA-N	0	1	390.488	0.038	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000328866029	1185989844	/nfs/dbraw/zinc/98/98/44/1185989844.db2.gz	NPBIDKMMLXHXBA-SJORKVTESA-N	0	1	382.505	0.580	20	30		GCEDMN
COCCN1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000610806141	1186227176	/nfs/dbraw/zinc/22/71/76/1186227176.db2.gz	TYEZMELLWYYPQH-HOCLYGCPSA-N	0	1	394.497	0.452	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)n(CCC#N)n1	ZINC000610951668	1186264892	/nfs/dbraw/zinc/26/48/92/1186264892.db2.gz	ZNPMVFHBZBWHNS-MRXNPFEDSA-N	0	1	388.472	0.757	20	30		GCEDMN
Cc1nn(C)c(N2CCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000472155203	1186400834	/nfs/dbraw/zinc/40/08/34/1186400834.db2.gz	KGSBRXNEGZMCMI-ZOBUZTSGSA-N	0	1	376.505	0.192	20	30		GCEDMN
N#Cc1c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]c1N1CCOCC1	ZINC000548697751	1186446890	/nfs/dbraw/zinc/44/68/90/1186446890.db2.gz	JGODPHCLOJMYKY-UHFFFAOYSA-N	0	1	392.397	0.968	20	30		GCEDMN
N#Cc1c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[nH]nc1N1CCOCC1	ZINC000548697751	1186446897	/nfs/dbraw/zinc/44/68/97/1186446897.db2.gz	JGODPHCLOJMYKY-UHFFFAOYSA-N	0	1	392.397	0.968	20	30		GCEDMN
CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)C2)CC1	ZINC000582419992	1186526066	/nfs/dbraw/zinc/52/60/66/1186526066.db2.gz	UYRWGVRDOXFVKP-LJQANCHMSA-N	0	1	383.496	0.607	20	30		GCEDMN
C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1	ZINC000934473531	1186535977	/nfs/dbraw/zinc/53/59/77/1186535977.db2.gz	XAKLWEGSDXOZRC-HNNXBMFYSA-N	0	1	382.486	0.775	20	30		GCEDMN
CS(=O)(=O)NC[C@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000051734659	1186556740	/nfs/dbraw/zinc/55/67/40/1186556740.db2.gz	VWQLIFAXQNTUTQ-SJORKVTESA-N	0	1	381.498	0.896	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCC(C(=O)OCC)CC1)c1ccn[nH]1	ZINC000277968206	1186726948	/nfs/dbraw/zinc/72/69/48/1186726948.db2.gz	IJUCYYUNKBOKPJ-CJLVFECKSA-N	0	1	394.428	0.932	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCN(C)CC(F)(F)F)c1ccn[nH]1	ZINC000277979253	1186732361	/nfs/dbraw/zinc/73/23/61/1186732361.db2.gz	MHFHCMUIRFFCBH-CIAFOILYSA-N	0	1	379.339	0.304	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCCNC(=O)C1CCC1)c1ccn[nH]1	ZINC000278041975	1186756597	/nfs/dbraw/zinc/75/65/97/1186756597.db2.gz	SCTYYDZUKUQLCA-PXLXIMEGSA-N	0	1	379.417	0.116	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1CCN(C(C)=O)CC1)c1ccn[nH]1	ZINC000278078649	1186771038	/nfs/dbraw/zinc/77/10/38/1186771038.db2.gz	WYKCMDAFYYIEAE-LTGZKZEYSA-N	0	1	379.417	0.068	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2)c1ccn[nH]1	ZINC000278288311	1186872789	/nfs/dbraw/zinc/87/27/89/1186872789.db2.gz	BRAKVZKMANJIML-CLIUGJPPSA-N	0	1	394.428	0.536	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCOCC(F)(F)C(F)F)c1ccn[nH]1	ZINC000278374925	1186918578	/nfs/dbraw/zinc/91/85/78/1186918578.db2.gz	SBWIBVGQCMOVAJ-SSDVNMTOSA-N	0	1	398.313	0.727	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1cc[nH]n1	ZINC000278431078	1186941997	/nfs/dbraw/zinc/94/19/97/1186941997.db2.gz	DEIRRMFMPAWRTQ-IQQDNESTSA-N	0	1	394.428	0.695	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@]1(O)CCc2ccccc21)c1ccn[nH]1	ZINC000278471610	1186955209	/nfs/dbraw/zinc/95/52/09/1186955209.db2.gz	IIRAAKMNQUGYCU-BFWROUECSA-N	0	1	386.408	0.644	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1(C(=O)OC)CCSCC1)c1ccn[nH]1	ZINC000278715697	1187028573	/nfs/dbraw/zinc/02/85/73/1187028573.db2.gz	QYKJQTGTLVRDHH-DEDYPNTBSA-N	0	1	398.441	0.249	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCCC2)C1	ZINC001023847904	1187157681	/nfs/dbraw/zinc/15/76/81/1187157681.db2.gz	RXQOZALSOYUESJ-VQHPVUNQSA-N	0	1	379.501	0.530	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1O	ZINC001023939945	1187180413	/nfs/dbraw/zinc/18/04/13/1187180413.db2.gz	UMEQNQXOWVCPEN-NHIYQJMISA-N	0	1	376.457	0.356	20	30		GCEDMN
CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC2(C#N)CCN(C)CC2)c1	ZINC000685611143	1187180975	/nfs/dbraw/zinc/18/09/75/1187180975.db2.gz	OZERYJJVDLLLFK-UHFFFAOYSA-N	0	1	378.454	0.272	20	30		GCEDMN
COC(=O)[C@H]1CN(C)CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000413897124	1187569864	/nfs/dbraw/zinc/56/98/64/1187569864.db2.gz	AIDAKCRGZYWRMW-INIZCTEOSA-N	0	1	398.467	0.714	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ncc1C#N	ZINC000580568396	1187691493	/nfs/dbraw/zinc/69/14/93/1187691493.db2.gz	FILSPPREMYWOJP-QZTJIDSGSA-N	0	1	393.447	0.952	20	30		GCEDMN
C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)C(C)C(=O)NC(N)=O	ZINC000414217922	1187768309	/nfs/dbraw/zinc/76/83/09/1187768309.db2.gz	FDRYCRKZIDFICZ-LLVKDONJSA-N	0	1	377.426	0.797	20	30		GCEDMN
C=CCn1c(-c2ccco2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NCC	ZINC000414222716	1187772853	/nfs/dbraw/zinc/77/28/53/1187772853.db2.gz	OQULDYSKZZKVFP-JTQLQIEISA-N	0	1	381.414	0.732	20	30		GCEDMN
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C	ZINC000424397846	1187935351	/nfs/dbraw/zinc/93/53/51/1187935351.db2.gz	SZDVNQQETTZLPS-LSDHHAIUSA-N	0	1	387.502	0.578	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1	ZINC001025344459	1187957283	/nfs/dbraw/zinc/95/72/83/1187957283.db2.gz	UZTCBHRBANGANA-VQHPVUNQSA-N	0	1	391.468	0.624	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)cc1	ZINC000415578131	1188112331	/nfs/dbraw/zinc/11/23/31/1188112331.db2.gz	ZJEPQBLPARBTSH-ZIAGYGMSSA-N	0	1	394.497	0.640	20	30		GCEDMN
N#CCOc1ccc(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000377733791	1188123423	/nfs/dbraw/zinc/12/34/23/1188123423.db2.gz	CNLBZDPBZTWRAE-SFHVURJKSA-N	0	1	387.484	0.795	20	30		GCEDMN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(O)(CN2CCOCC2)CC1	ZINC000378423310	1189502185	/nfs/dbraw/zinc/50/21/85/1189502185.db2.gz	BKHZWFSAYAJIOO-KRWDZBQOSA-N	0	1	378.517	0.877	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCO[C@H]4C=C)[C@@H]3C2)CC1	ZINC000975259988	1189931191	/nfs/dbraw/zinc/93/11/91/1189931191.db2.gz	ATEXFRAPBZKTKH-WTGUMLROSA-N	0	1	385.508	0.982	20	30		GCEDMN
N#Cc1cc(F)c(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1	ZINC000124962607	1189936594	/nfs/dbraw/zinc/93/65/94/1189936594.db2.gz	LMAUJZBZNLULNV-GFCCVEGCSA-N	0	1	386.424	0.702	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000894187271	1193897485	/nfs/dbraw/zinc/89/74/85/1193897485.db2.gz	XAEQVZGUXIGXQS-HZPDHXFCSA-N	0	1	394.520	0.634	20	30		GCEDMN
C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000280708859	1194015657	/nfs/dbraw/zinc/01/56/57/1194015657.db2.gz	JBFJKOGCWJVTRP-PXNSSMCTSA-N	0	1	387.459	0.732	20	30		GCEDMN
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@H]3[C@H](CO)[C@H]3C2)CC1	ZINC000366421717	1194063570	/nfs/dbraw/zinc/06/35/70/1194063570.db2.gz	QHGCEBQFKVWLRI-FICVDOATSA-N	0	1	397.435	0.625	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H](C)N1	ZINC000419614294	1194073735	/nfs/dbraw/zinc/07/37/35/1194073735.db2.gz	MQMRBRVGEUJYDO-CBHXASLJSA-N	0	1	385.468	0.968	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000501420276	1194148038	/nfs/dbraw/zinc/14/80/38/1194148038.db2.gz	IEEGXKYUANEVDS-OAHLLOKOSA-N	0	1	398.492	0.982	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](OCC)C1	ZINC000982942331	1194216181	/nfs/dbraw/zinc/21/61/81/1194216181.db2.gz	XACZXLCNLRLOMC-WTTBNOFXSA-N	0	1	391.472	0.769	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c(C#N)cn1CC	ZINC000421200897	1194308082	/nfs/dbraw/zinc/30/80/82/1194308082.db2.gz	OFUZIUMUXASUNS-HNNXBMFYSA-N	0	1	399.451	0.968	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@H](C)N1	ZINC000423555723	1194766220	/nfs/dbraw/zinc/76/62/20/1194766220.db2.gz	GGNWTQABLOVYOS-PSUSHLJKSA-N	0	1	381.436	0.067	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)NC[C@H]3C)CC2)c1C#N	ZINC000423651373	1194779240	/nfs/dbraw/zinc/77/92/40/1194779240.db2.gz	MAJKIRSCTJZBIL-VXGBXAGGSA-N	0	1	376.486	0.181	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)N[C@H](C)C3)CC2)c1C#N	ZINC000423677880	1194784781	/nfs/dbraw/zinc/78/47/81/1194784781.db2.gz	KGLNRIODQOVASC-VXGBXAGGSA-N	0	1	376.486	0.181	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000423722749	1194789110	/nfs/dbraw/zinc/78/91/10/1194789110.db2.gz	PXPXGUZRPWFVAX-PZPWOCDFSA-N	0	1	395.463	0.459	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000423744773	1194791118	/nfs/dbraw/zinc/79/11/18/1194791118.db2.gz	NDTMHJJGRIMTKT-IBGZPJMESA-N	0	1	383.496	0.803	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000423734089	1194792289	/nfs/dbraw/zinc/79/22/89/1194792289.db2.gz	CNPMXQDPEVXJCL-OAHLLOKOSA-N	0	1	387.459	0.946	20	30		GCEDMN
COC[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCO1	ZINC000434789786	1194870012	/nfs/dbraw/zinc/87/00/12/1194870012.db2.gz	ZWMIRMDAFJOZKY-HZPDHXFCSA-N	0	1	377.445	0.287	20	30		GCEDMN
CN(Cc1nnc[nH]1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000435271729	1194909603	/nfs/dbraw/zinc/90/96/03/1194909603.db2.gz	OYKRRQTZFCVHPA-UHFFFAOYSA-N	0	1	384.787	1.113	20	30		GCEDMN
C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)[C@@H]2C1	ZINC000425379923	1194932371	/nfs/dbraw/zinc/93/23/71/1194932371.db2.gz	DNMKFWCNZSTLBA-SLFFLAALSA-N	0	1	395.507	0.776	20	30		GCEDMN
COC(=O)[C@@H](C)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1	ZINC000436023160	1194979945	/nfs/dbraw/zinc/97/99/45/1194979945.db2.gz	OITBSAFCVNEYCJ-ZDUSSCGKSA-N	0	1	389.456	0.777	20	30		GCEDMN
C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000516491581	1195057376	/nfs/dbraw/zinc/05/73/76/1195057376.db2.gz	BVCMVFYDDZFLEB-WBMJQRKESA-N	0	1	398.510	0.249	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cc(C#N)n(C)c1	ZINC001270179048	1195076354	/nfs/dbraw/zinc/07/63/54/1195076354.db2.gz	GBBNHTVQDZCBPE-ULQDDVLXSA-N	0	1	375.498	0.506	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(C#N)cn1CC	ZINC000425824291	1195123932	/nfs/dbraw/zinc/12/39/32/1195123932.db2.gz	YFXYMFOEJHCOSR-NSHDSACASA-N	0	1	399.411	0.629	20	30		GCEDMN
N#CC(Cc1cccs1)C(=O)N1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001270292338	1195177173	/nfs/dbraw/zinc/17/71/73/1195177173.db2.gz	OMJCYGFJWAGJKJ-FZKQIMNGSA-N	0	1	375.450	0.659	20	30		GCEDMN
CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1(C#N)CCN(C)CC1)C2=O	ZINC000517580243	1195195150	/nfs/dbraw/zinc/19/51/50/1195195150.db2.gz	KEBFCIPXAPXCLD-UHFFFAOYSA-N	0	1	375.473	0.981	20	30		GCEDMN
C=CCN1CC[C@H](N(C)C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C1=O	ZINC000518474252	1195294025	/nfs/dbraw/zinc/29/40/25/1195294025.db2.gz	UEEWCDKOAPDGPY-INIZCTEOSA-N	0	1	382.420	0.503	20	30		GCEDMN
C=CCN1C(=O)c2ccc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2C1=O	ZINC000518606937	1195308819	/nfs/dbraw/zinc/30/88/19/1195308819.db2.gz	MYBBSHQCTQMASO-INIZCTEOSA-N	0	1	384.436	0.538	20	30		GCEDMN
C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCC[C@H]3C(N)=O)cc2C1=O	ZINC000518606937	1195308823	/nfs/dbraw/zinc/30/88/23/1195308823.db2.gz	MYBBSHQCTQMASO-INIZCTEOSA-N	0	1	384.436	0.538	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C)CC[C@@H]1C	ZINC000439348289	1195310824	/nfs/dbraw/zinc/31/08/24/1195310824.db2.gz	KYSPDBBDHKSXTD-AWEZNQCLSA-N	0	1	381.440	0.939	20	30		GCEDMN
Cc1n[nH]c(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)n1	ZINC000440110892	1195385820	/nfs/dbraw/zinc/38/58/20/1195385820.db2.gz	UUHMFANSNYCOHH-UHFFFAOYSA-N	0	1	382.359	0.607	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCOCC3)CC2)n(CCC#N)n1	ZINC000519422191	1195405105	/nfs/dbraw/zinc/40/51/05/1195405105.db2.gz	NMGAKQIQJLPRIM-MRXNPFEDSA-N	0	1	388.472	0.757	20	30		GCEDMN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000440343825	1195408352	/nfs/dbraw/zinc/40/83/52/1195408352.db2.gz	VQHNDRCQGWRCNN-MRXNPFEDSA-N	0	1	376.482	0.699	20	30		GCEDMN
C=CCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(OC)cc2OC)n1	ZINC000506960920	1195481715	/nfs/dbraw/zinc/48/17/15/1195481715.db2.gz	IGWCHDUKVNKHFG-JTQLQIEISA-N	0	1	380.426	0.953	20	30		GCEDMN
COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OCC(N)=O	ZINC000427105006	1195507594	/nfs/dbraw/zinc/50/75/94/1195507594.db2.gz	UFIUFULAKKUOTN-UHFFFAOYSA-N	0	1	376.394	0.935	20	30		GCEDMN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)n1	ZINC000328663344	1195658505	/nfs/dbraw/zinc/65/85/05/1195658505.db2.gz	BADVWHZAMJZFHC-JKSUJKDBSA-N	0	1	398.533	0.802	20	30		GCEDMN
CN1CCN(c2ccc(CNC(=O)N3CC[C@H](S(C)(=O)=O)C3)cn2)CC1	ZINC000328720781	1195659919	/nfs/dbraw/zinc/65/99/19/1195659919.db2.gz	QUVRBMZGHDKAIF-HNNXBMFYSA-N	0	1	381.502	0.366	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1	ZINC000328706122	1195661880	/nfs/dbraw/zinc/66/18/80/1195661880.db2.gz	LJXPMKUQEDDXHA-HNNXBMFYSA-N	0	1	381.502	0.366	20	30		GCEDMN
CN1CCC[C@@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1	ZINC000328813203	1195666068	/nfs/dbraw/zinc/66/60/68/1195666068.db2.gz	FUZIECJTHWECSF-NVXWUHKLSA-N	0	1	388.516	0.884	20	30		GCEDMN
C[C@H]1CN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC(=O)N1C	ZINC000330416321	1195688069	/nfs/dbraw/zinc/68/80/69/1195688069.db2.gz	NXDJYDLCENMPOG-AWEZNQCLSA-N	0	1	381.521	0.690	20	30		GCEDMN
CNS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)nc1	ZINC000331194682	1195723281	/nfs/dbraw/zinc/72/32/81/1195723281.db2.gz	YIKHTHBBBXGDSY-ZDUSSCGKSA-N	0	1	385.490	0.672	20	30		GCEDMN
CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC1(O)CCOCC1	ZINC000189768563	1195753348	/nfs/dbraw/zinc/75/33/48/1195753348.db2.gz	LNSYNTOODDWQTE-MRXNPFEDSA-N	0	1	392.525	0.930	20	30		GCEDMN
CN1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1	ZINC000520701382	1195825514	/nfs/dbraw/zinc/82/55/14/1195825514.db2.gz	SDYZNGQILBFICK-OAHLLOKOSA-N	0	1	399.451	0.154	20	30		GCEDMN
N#Cc1ccc(OC[C@@H](O)CN2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000025951494	1195937064	/nfs/dbraw/zinc/93/70/64/1195937064.db2.gz	IVCBQDGEUSNDIS-IBGZPJMESA-N	0	1	386.496	0.928	20	30		GCEDMN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCOC)C2)cc1	ZINC000442006301	1195940968	/nfs/dbraw/zinc/94/09/68/1195940968.db2.gz	YPOCHCLIIGWAQO-MRXNPFEDSA-N	0	1	389.456	0.770	20	30		GCEDMN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(CCOC)C2)cc1	ZINC000442006297	1195941043	/nfs/dbraw/zinc/94/10/43/1195941043.db2.gz	YPOCHCLIIGWAQO-INIZCTEOSA-N	0	1	389.456	0.770	20	30		GCEDMN
N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)C2)cc1	ZINC000442237207	1195964613	/nfs/dbraw/zinc/96/46/13/1195964613.db2.gz	FZPJRVJVSXFHOM-UHFFFAOYSA-N	0	1	388.387	1.367	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)c1	ZINC000443171859	1196025135	/nfs/dbraw/zinc/02/51/35/1196025135.db2.gz	XBRLZUIEPUJQQX-MRXNPFEDSA-N	0	1	381.498	0.728	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](N3CCOCC3)C[C@H]2C)CC1	ZINC000329079296	1196161590	/nfs/dbraw/zinc/16/15/90/1196161590.db2.gz	QUFJOBUMKMWUJJ-QRVBRYPASA-N	0	1	377.533	0.474	20	30		GCEDMN
CN1CCN(CCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1	ZINC000329136419	1196167378	/nfs/dbraw/zinc/16/73/78/1196167378.db2.gz	GYCFXCTTYSBIKS-UHFFFAOYSA-N	0	1	396.513	0.260	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)CC2)C1=O	ZINC000329195324	1196174527	/nfs/dbraw/zinc/17/45/27/1196174527.db2.gz	UDPXGPJMCSVPPM-HNNXBMFYSA-N	0	1	390.488	0.893	20	30		GCEDMN
Cc1oc2ncn(C)c(=O)c2c1C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1	ZINC000329210435	1196177038	/nfs/dbraw/zinc/17/70/38/1196177038.db2.gz	ZMZQSASQHBXBKW-ZDUSSCGKSA-N	0	1	387.440	0.835	20	30		GCEDMN
COCCN1CC[C@H](NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000329287174	1196182805	/nfs/dbraw/zinc/18/28/05/1196182805.db2.gz	MIHRTOZOHXLLSR-HNNXBMFYSA-N	0	1	397.497	0.733	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)[C@@H](C)C1	ZINC000329308815	1196184366	/nfs/dbraw/zinc/18/43/66/1196184366.db2.gz	ADYQRWLWRQZSRW-SOUVJXGZSA-N	0	1	388.534	0.244	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)CC2	ZINC000329334083	1196186301	/nfs/dbraw/zinc/18/63/01/1196186301.db2.gz	KONJZHNPCBQEHP-CYBMUJFWSA-N	0	1	398.533	0.986	20	30		GCEDMN
O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329339920	1196186609	/nfs/dbraw/zinc/18/66/09/1196186609.db2.gz	NYOQQHKTLANEHJ-HUUCEWRRSA-N	0	1	397.501	0.828	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H]1CCc3nnc(C(C)C)n3C1)CC2	ZINC000329352697	1196188269	/nfs/dbraw/zinc/18/82/69/1196188269.db2.gz	UPQLNBJEOVWQEH-QWHCGFSZSA-N	0	1	388.476	0.973	20	30		GCEDMN
CN1CCC[C@@H]1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC000329384486	1196191444	/nfs/dbraw/zinc/19/14/44/1196191444.db2.gz	RPFSSFXUTJPJQH-CQSZACIVSA-N	0	1	381.454	0.881	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000329402256	1196192506	/nfs/dbraw/zinc/19/25/06/1196192506.db2.gz	ZHHQUEKXYOREFX-OAHLLOKOSA-N	0	1	396.513	0.258	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)C1=O	ZINC000329412796	1196193456	/nfs/dbraw/zinc/19/34/56/1196193456.db2.gz	FFRIKJWWUOZOMC-OAGGEKHMSA-N	0	1	390.484	0.813	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1	ZINC000329425107	1196194318	/nfs/dbraw/zinc/19/43/18/1196194318.db2.gz	ISZBOEXTHONKCJ-CYBMUJFWSA-N	0	1	381.502	0.580	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O)N1CCN(C)CC1	ZINC000329437029	1196195239	/nfs/dbraw/zinc/19/52/39/1196195239.db2.gz	JYGXOPVPRLKGFK-KSSFIOAISA-N	0	1	380.493	0.003	20	30		GCEDMN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@H]3CCCS(=O)(=O)C3)CCO2)n1	ZINC000329716557	1196226212	/nfs/dbraw/zinc/22/62/12/1196226212.db2.gz	WPIQBDKIOQPBHW-CVEARBPZSA-N	0	1	384.502	0.940	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCOCC3(CCOCC3)C1)CC2	ZINC000329758628	1196230030	/nfs/dbraw/zinc/23/00/30/1196230030.db2.gz	NVOBYOKNKVFSCO-CQSZACIVSA-N	0	1	379.461	0.782	20	30		GCEDMN
CC[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C[C@H](C)S1(=O)=O	ZINC000329793920	1196231632	/nfs/dbraw/zinc/23/16/32/1196231632.db2.gz	FVULTFUEDGTKRH-YNEHKIRRSA-N	0	1	385.490	0.551	20	30		GCEDMN
COCc1nc2n(n1)C[C@@H](NC(=O)N1CCCN(C(=O)C(C)C)CC1)CC2	ZINC000329805846	1196232158	/nfs/dbraw/zinc/23/21/58/1196232158.db2.gz	NJORJVVJFVJERV-AWEZNQCLSA-N	0	1	378.477	0.844	20	30		GCEDMN
CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1	ZINC000329803984	1196232212	/nfs/dbraw/zinc/23/22/12/1196232212.db2.gz	LRHCXQYNGNWUJH-CYBMUJFWSA-N	0	1	379.465	0.247	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C	ZINC000329863653	1196234945	/nfs/dbraw/zinc/23/49/45/1196234945.db2.gz	ZHKKVEOJEUQXSA-IRXDYDNUSA-N	0	1	395.548	0.232	20	30		GCEDMN
Cn1cc(N2CCC[C@H](NC(=O)N3CCN(C4CCOCC4)CC3)C2=O)cn1	ZINC000330018859	1196246628	/nfs/dbraw/zinc/24/66/28/1196246628.db2.gz	UEXSBAYFCLPXHL-KRWDZBQOSA-N	0	1	390.488	0.626	20	30		GCEDMN
Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(C4CCOCC4)CC3)C2=O)cn1	ZINC000330018860	1196246757	/nfs/dbraw/zinc/24/67/57/1196246757.db2.gz	UEXSBAYFCLPXHL-QGZVFWFLSA-N	0	1	390.488	0.626	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCN(C3CCOCC3)CC2)CC1	ZINC000330168881	1196257696	/nfs/dbraw/zinc/25/76/96/1196257696.db2.gz	CXOXHNNLGGQNOO-UHFFFAOYSA-N	0	1	382.505	0.725	20	30		GCEDMN
COCCC(=O)N1CCC([NH+]=C([O-])N2CCO[C@H](Cn3cc(C)cn3)C2)CC1	ZINC000330183273	1196258328	/nfs/dbraw/zinc/25/83/28/1196258328.db2.gz	PTBPLWSMJOSUAF-KRWDZBQOSA-N	0	1	393.488	0.834	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000281072400	1196275541	/nfs/dbraw/zinc/27/55/41/1196275541.db2.gz	MWJCVPOJFFIJSJ-UHFFFAOYSA-N	0	1	380.395	0.699	20	30		GCEDMN
C=CCN1CC[C@H](N(C)C[C@H](O)COc2ccc(C(=O)OC)cc2OC)C1=O	ZINC000281370287	1196291951	/nfs/dbraw/zinc/29/19/51/1196291951.db2.gz	OLDWVJSOFXHING-HOTGVXAUSA-N	0	1	392.452	0.940	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000281555402	1196309331	/nfs/dbraw/zinc/30/93/31/1196309331.db2.gz	OKPWVDDHLSAFTA-UHFFFAOYSA-N	0	1	394.497	0.278	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000281645286	1196317630	/nfs/dbraw/zinc/31/76/30/1196317630.db2.gz	VVEKCZYNIUHNFK-UHFFFAOYSA-N	0	1	398.460	0.108	20	30		GCEDMN
COC[C@](C)(CC(=O)OC)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000440545694	1196521041	/nfs/dbraw/zinc/52/10/41/1196521041.db2.gz	DWLNKMDQXQEGRL-SFHVURJKSA-N	0	1	393.444	0.061	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)N2CCN(CC)CC2)c1	ZINC000525894152	1196723890	/nfs/dbraw/zinc/72/38/90/1196723890.db2.gz	GWBUVTSUAFAPBO-INIZCTEOSA-N	0	1	394.541	0.907	20	30		GCEDMN
C[C@@]1(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)NC(=O)NC1=O	ZINC000528400250	1196855695	/nfs/dbraw/zinc/85/56/95/1196855695.db2.gz	MNFFCWNYISVBEI-NRFANRHFSA-N	0	1	394.431	0.596	20	30		GCEDMN
N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2COCCN2)CC1	ZINC000529384060	1196919463	/nfs/dbraw/zinc/91/94/63/1196919463.db2.gz	YBOVSTHXQNJKRS-INIZCTEOSA-N	0	1	380.452	0.926	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C#N)CCN(C)CC1	ZINC000531966007	1197105201	/nfs/dbraw/zinc/10/52/01/1197105201.db2.gz	CMWIXKFAEDCORB-CYBMUJFWSA-N	0	1	375.454	0.329	20	30		GCEDMN
C#CCN1C(=O)COCC12CN(C(=O)c1ccc(O)c(Br)c1)C2	ZINC001272063872	1197311812	/nfs/dbraw/zinc/31/18/12/1197311812.db2.gz	SDDCEKCPBZZRAE-UHFFFAOYSA-N	0	1	379.210	0.841	20	30		GCEDMN
N#Cc1ccsc1NC(=O)CCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000533383684	1197448664	/nfs/dbraw/zinc/44/86/64/1197448664.db2.gz	XUYFXEKDUKZCQQ-KBPBESRZSA-N	0	1	398.510	0.036	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C)CC1	ZINC000989156044	1197572723	/nfs/dbraw/zinc/57/27/23/1197572723.db2.gz	IHCMIJVIUGBTMI-YMDNOQLFSA-N	0	1	385.508	0.861	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)[nH]1	ZINC000999805560	1198973590	/nfs/dbraw/zinc/97/35/90/1198973590.db2.gz	DSAISMOKAJCLLX-KNPMLCFXSA-N	0	1	379.424	0.986	20	30		GCEDMN
CN1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2)CC1	ZINC000301364857	1199029154	/nfs/dbraw/zinc/02/91/54/1199029154.db2.gz	RTVGUSHLJJNTDP-UHFFFAOYSA-N	0	1	386.481	0.965	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2(C#N)CCN(C)CC2)[C@@H](C)O)cc1	ZINC000542784011	1199041265	/nfs/dbraw/zinc/04/12/65/1199041265.db2.gz	YSRPDLHZLUGMBV-ZBFHGGJFSA-N	0	1	394.497	0.127	20	30		GCEDMN
C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H](C)O1	ZINC000542824574	1199067003	/nfs/dbraw/zinc/06/70/03/1199067003.db2.gz	RLGTUNYRLQFEHG-OKILXGFUSA-N	0	1	377.493	0.937	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H](C)O1	ZINC000542824574	1199067009	/nfs/dbraw/zinc/06/70/09/1199067009.db2.gz	RLGTUNYRLQFEHG-OKILXGFUSA-N	0	1	377.493	0.937	20	30		GCEDMN
COc1cc(C#N)ccc1OCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000265846552	1199653389	/nfs/dbraw/zinc/65/33/89/1199653389.db2.gz	OXQYOVQQAQVOLQ-HOTGVXAUSA-N	0	1	395.481	0.033	20	30		GCEDMN
Cc1onc(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)c1C#N	ZINC000499908593	1199810497	/nfs/dbraw/zinc/81/04/97/1199810497.db2.gz	TVNCHJUMIQAMAL-UHFFFAOYSA-N	0	1	383.456	0.906	20	30		GCEDMN
C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1	ZINC000282418612	1199918855	/nfs/dbraw/zinc/91/88/55/1199918855.db2.gz	BIRWWYGURKXWRJ-KRWDZBQOSA-N	0	1	379.530	0.873	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN[C@]3(CO)CCc4ccccc43)CC2)o1	ZINC000132286447	1199963103	/nfs/dbraw/zinc/96/31/03/1199963103.db2.gz	NDGHZGGYTWBWEW-NRFANRHFSA-N	0	1	395.463	0.927	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C3CC3)n2)C[C@@H]1O	ZINC001083848433	1200000184	/nfs/dbraw/zinc/00/01/84/1200000184.db2.gz	CFJWJNIITFHTBA-IVSAIRAKSA-N	0	1	375.473	0.715	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1OC	ZINC000946818981	1200174529	/nfs/dbraw/zinc/17/45/29/1200174529.db2.gz	SNPNKXJWQOWXGA-ZJPYXAASSA-N	0	1	384.436	0.881	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1OC	ZINC000946820488	1200270293	/nfs/dbraw/zinc/27/02/93/1200270293.db2.gz	YTGAMSRVVUKIHW-BQDHKBFISA-N	0	1	385.424	0.505	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1OC	ZINC000946822349	1200317072	/nfs/dbraw/zinc/31/70/72/1200317072.db2.gz	QREXCVQRJHKVJY-VDNDLQMASA-N	0	1	385.424	0.505	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)c[nH]1	ZINC001005592330	1200379181	/nfs/dbraw/zinc/37/91/81/1200379181.db2.gz	MUMVNWMJBGQUQC-CLWVCHIJSA-N	0	1	379.424	0.986	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](n2ccnn2)C1	ZINC001129118492	1200469721	/nfs/dbraw/zinc/46/97/21/1200469721.db2.gz	LZOKFYVUXMELOT-KONPQCLYSA-N	0	1	385.472	0.359	20	30		GCEDMN
CN1CCN(Cc2cccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)c2)CC1	ZINC000550800408	1200684702	/nfs/dbraw/zinc/68/47/02/1200684702.db2.gz	NZDOFDNHJIRZQO-UHFFFAOYSA-N	0	1	395.467	1.121	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1	ZINC000538073470	1200713508	/nfs/dbraw/zinc/71/35/08/1200713508.db2.gz	AMFCLVCFEOPCHN-OAHLLOKOSA-N	0	1	376.461	0.747	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)nn1CCC#N	ZINC000611247508	1200778865	/nfs/dbraw/zinc/77/88/65/1200778865.db2.gz	ZFXHUVZKHLCBCH-INIZCTEOSA-N	0	1	388.472	0.757	20	30		GCEDMN
Cc1cc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)nn1CCC#N	ZINC000580804648	1200846728	/nfs/dbraw/zinc/84/67/28/1200846728.db2.gz	COCNOMKBFCWWNA-UHFFFAOYSA-N	0	1	383.380	1.300	20	30		GCEDMN
CCN1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000368622296	1200898510	/nfs/dbraw/zinc/89/85/10/1200898510.db2.gz	MLGRGISSTFJFKC-AWEZNQCLSA-N	0	1	384.415	1.422	20	30		GCEDMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000368622297	1200899058	/nfs/dbraw/zinc/89/90/58/1200899058.db2.gz	MLGRGISSTFJFKC-CQSZACIVSA-N	0	1	384.415	1.422	20	30		GCEDMN
CCOC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n[nH]1	ZINC000543762436	1200937069	/nfs/dbraw/zinc/93/70/69/1200937069.db2.gz	UEWBHQFWZLZACK-SNVBAGLBSA-N	0	1	391.409	0.764	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](N2CC=CC2)C1	ZINC000460589199	1200967581	/nfs/dbraw/zinc/96/75/81/1200967581.db2.gz	VQCWWQKUXSHAHP-INIZCTEOSA-N	0	1	391.435	0.859	20	30		GCEDMN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1	ZINC000429465552	1201121397	/nfs/dbraw/zinc/12/13/97/1201121397.db2.gz	GSNFQGKNVTUFOF-HNNXBMFYSA-N	0	1	387.484	0.293	20	30		GCEDMN
C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000540453558	1201141384	/nfs/dbraw/zinc/14/13/84/1201141384.db2.gz	FSRMPSUASGTERF-NSHDSACASA-N	0	1	394.439	0.949	20	30		GCEDMN
C#CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1	ZINC001079143736	1201247602	/nfs/dbraw/zinc/24/76/02/1201247602.db2.gz	LHFZILBYVNFIRO-IYWMVGAKSA-N	0	1	383.492	0.808	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NC)CC2)[C@H]2COC[C@H]21	ZINC001079261750	1201250490	/nfs/dbraw/zinc/25/04/90/1201250490.db2.gz	GGKUZDLJDFENCA-TWMKSMIVSA-N	0	1	377.485	0.263	20	30		GCEDMN
CN(CC(=O)NC1(C#N)CCN(C)CC1)C1=NS(=O)(=O)c2ccccc21	ZINC000730092829	1201434880	/nfs/dbraw/zinc/43/48/80/1201434880.db2.gz	QXEPDFQRFYFYLM-UHFFFAOYSA-N	0	1	375.454	0.171	20	30		GCEDMN
CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cnn(CC#N)c2)c1	ZINC000731436237	1201483884	/nfs/dbraw/zinc/48/38/84/1201483884.db2.gz	SYFPKMIJLRQZJU-UHFFFAOYSA-N	0	1	376.398	0.989	20	30		GCEDMN
Cn1c(C=NNc2ccccc2S(C)(=O)=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000731933545	1201511534	/nfs/dbraw/zinc/51/15/34/1201511534.db2.gz	OIWOTKZNTMNXON-UHFFFAOYSA-N	0	1	376.398	0.222	20	30		GCEDMN
CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000823226122	1201593515	/nfs/dbraw/zinc/59/35/15/1201593515.db2.gz	OWWDYAAADAGTNB-KRWDZBQOSA-N	0	1	385.468	0.877	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[n-]1	ZINC001085357581	1201684825	/nfs/dbraw/zinc/68/48/25/1201684825.db2.gz	FCEZUUVVEDRUNR-HWMZRRJGSA-N	0	1	377.489	0.997	20	30		GCEDMN
CN1CCN(c2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cn2)CC1	ZINC000735842652	1201702230	/nfs/dbraw/zinc/70/22/30/1201702230.db2.gz	LSBSLNGJAJXCLH-VHEBQXMUSA-N	0	1	384.440	0.688	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000735938194	1201706028	/nfs/dbraw/zinc/70/60/28/1201706028.db2.gz	VASSGHAFNANMLM-UHFFFAOYSA-N	0	1	379.438	0.161	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000735940959	1201706587	/nfs/dbraw/zinc/70/65/87/1201706587.db2.gz	XAFPGRYSJUPNEJ-GOEBONIOSA-N	0	1	384.498	0.299	20	30		GCEDMN
C#CCN1CCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1	ZINC000742670638	1201804755	/nfs/dbraw/zinc/80/47/55/1201804755.db2.gz	MOFIOAUDRUPDJW-UHFFFAOYSA-N	0	1	381.454	0.466	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001273426849	1201859470	/nfs/dbraw/zinc/85/94/70/1201859470.db2.gz	CUIBPSNPPPYVSR-GXTWGEPZSA-N	0	1	395.506	0.440	20	30		GCEDMN
O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccc(C(=O)NO)cc1	ZINC000746268410	1201905539	/nfs/dbraw/zinc/90/55/39/1201905539.db2.gz	BASTXKGQDGMNNO-UHFFFAOYSA-N	0	1	394.387	0.693	20	30		GCEDMN
Cc1cccc2c1[C@H](C)CC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000766717021	1201948023	/nfs/dbraw/zinc/94/80/23/1201948023.db2.gz	UVDAGGCKONXDKO-LLVKDONJSA-N	0	1	376.438	0.582	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCCNc2ncccc2C#N)c1	ZINC000767321265	1201970337	/nfs/dbraw/zinc/97/03/37/1201970337.db2.gz	CNQGJWNBJBLFCG-UHFFFAOYSA-N	0	1	389.437	0.751	20	30		GCEDMN
N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F	ZINC001108952019	1201983288	/nfs/dbraw/zinc/98/32/88/1201983288.db2.gz	MLQNKKNZKJITEM-NDBYEHHHSA-N	0	1	381.420	0.904	20	30		GCEDMN
C#CCN1CCC(C(=O)N(CCN(CC)CC)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000767864524	1201990380	/nfs/dbraw/zinc/99/03/80/1201990380.db2.gz	DIXSHAFTSBODFT-GOSISDBHSA-N	0	1	383.558	0.689	20	30		GCEDMN
C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O	ZINC001109122083	1201997308	/nfs/dbraw/zinc/99/73/08/1201997308.db2.gz	VHAPVHKIEDEFSY-PMPSAXMXSA-N	0	1	378.473	0.633	20	30		GCEDMN
C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O	ZINC001109171041	1202000372	/nfs/dbraw/zinc/00/03/72/1202000372.db2.gz	BPLYLPMYLBWPQF-QZWWFDLISA-N	0	1	375.469	0.411	20	30		GCEDMN
C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC[C@H]1CCCCO1	ZINC001109175523	1202000974	/nfs/dbraw/zinc/00/09/74/1202000974.db2.gz	OQLVGVHATDQCOB-BDXSIMOUSA-N	0	1	377.485	0.433	20	30		GCEDMN
N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCS(N)(=O)=O)C3)c1	ZINC001109657666	1202099679	/nfs/dbraw/zinc/09/96/79/1202099679.db2.gz	ZJCIEZAODKYYQK-IKGGRYGDSA-N	0	1	376.482	0.848	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-n2cncn2)nc1)c1ccn[nH]1	ZINC000770823364	1202114945	/nfs/dbraw/zinc/11/49/45/1202114945.db2.gz	JYHVHDCYRCPHDB-UHFFFAOYSA-N	0	1	384.356	0.308	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2nc(C)ncc2C1)c1ccn[nH]1	ZINC000770825816	1202115068	/nfs/dbraw/zinc/11/50/68/1202115068.db2.gz	YEWQRXLAKKFXKX-CYBMUJFWSA-N	0	1	386.412	0.466	20	30		GCEDMN
Cn1ccnc1C(=O)C(C#N)=C(O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	ZINC000770872123	1202116838	/nfs/dbraw/zinc/11/68/38/1202116838.db2.gz	SDSVUPNGPRATNO-OCCSQVGLSA-N	0	1	382.355	0.571	20	30		GCEDMN
C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C[C@@H]3CCOC3)nn1)C2	ZINC001109900729	1202146444	/nfs/dbraw/zinc/14/64/44/1202146444.db2.gz	DCRBARFIVKNVLY-DFGXFYAUSA-N	0	1	375.473	0.852	20	30		GCEDMN
CCCCO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(C)C	ZINC000771888704	1202166388	/nfs/dbraw/zinc/16/63/88/1202166388.db2.gz	FTODIPRAKKTZJT-CYBMUJFWSA-N	0	1	386.474	0.334	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC(C)(c3ccccc3)C2)c(=O)n(C)c1=O	ZINC000771890375	1202166723	/nfs/dbraw/zinc/16/67/23/1202166723.db2.gz	PUEZQTLNKMCSFP-UHFFFAOYSA-N	0	1	376.438	0.470	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C)c(F)c(C)c1	ZINC000771890457	1202167590	/nfs/dbraw/zinc/16/75/90/1202167590.db2.gz	HBJZTOVTAHTTEH-UHFFFAOYSA-N	0	1	382.417	0.542	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cnc2ccsc2c1	ZINC000771891577	1202167878	/nfs/dbraw/zinc/16/78/78/1202167878.db2.gz	URSIWJFKPXBQOG-UHFFFAOYSA-N	0	1	393.450	0.396	20	30		GCEDMN
CC(C)Oc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000771889958	1202168000	/nfs/dbraw/zinc/16/80/00/1202168000.db2.gz	COSYETIEBFNQJW-UHFFFAOYSA-N	0	1	380.426	0.184	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2c3ccccc3-c3ccccc32)c(=O)n(C)c1=O	ZINC000771889960	1202168009	/nfs/dbraw/zinc/16/80/09/1202168009.db2.gz	CPJPIXZPVFDSPY-UHFFFAOYSA-N	0	1	396.428	0.795	20	30		GCEDMN
CC(C)CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000771892970	1202168528	/nfs/dbraw/zinc/16/85/28/1202168528.db2.gz	WLKVHPVGGLDOHZ-UHFFFAOYSA-N	0	1	378.454	0.813	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(N(C)C)cc1	ZINC000771893169	1202168544	/nfs/dbraw/zinc/16/85/44/1202168544.db2.gz	XNHGNYGPAFMLFQ-UHFFFAOYSA-N	0	1	393.469	0.243	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O	ZINC000771896586	1202168581	/nfs/dbraw/zinc/16/85/81/1202168581.db2.gz	DEGJTBAJPKIANM-UHFFFAOYSA-N	0	1	378.454	0.694	20	30		GCEDMN
C=CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1	ZINC000771898227	1202168997	/nfs/dbraw/zinc/16/89/97/1202168997.db2.gz	WIHRCXNODNVQSZ-UHFFFAOYSA-N	0	1	380.401	0.482	20	30		GCEDMN
CC(CCc1cccc(C)c1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771897510	1202169181	/nfs/dbraw/zinc/16/91/81/1202169181.db2.gz	ONEVPDSIKFCABW-UHFFFAOYSA-N	0	1	378.454	0.679	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000772109722	1202174933	/nfs/dbraw/zinc/17/49/33/1202174933.db2.gz	ICHMUBCTPXKDJV-UHFFFAOYSA-N	0	1	392.477	0.595	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(C(=O)OC)C1)c1ccn[nH]1	ZINC000772177104	1202175315	/nfs/dbraw/zinc/17/53/15/1202175315.db2.gz	LBUTYOQDUSBZPG-NSHDSACASA-N	0	1	381.389	0.041	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cc[nH]n1	ZINC000772153622	1202175744	/nfs/dbraw/zinc/17/57/44/1202175744.db2.gz	GEMDYEYLYKSGNJ-HNNXBMFYSA-N	0	1	390.444	0.386	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N(C)Cc1cccc(C(N)=O)c1)c1cc[nH]n1	ZINC000772149580	1202175934	/nfs/dbraw/zinc/17/59/34/1202175934.db2.gz	QMZZNGYZZBLXKK-UHFFFAOYSA-N	0	1	387.396	0.451	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1ccco1)c1cc[nH]n1	ZINC000772275718	1202178064	/nfs/dbraw/zinc/17/80/64/1202178064.db2.gz	KDYGQEGDIMUVLJ-ZDUSSCGKSA-N	0	1	376.369	0.887	20	30		GCEDMN
N#CCc1cc(NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1	ZINC001170108895	1205442052	/nfs/dbraw/zinc/44/20/52/1205442052.db2.gz	WQKORMOVQYWWGF-UHFFFAOYSA-N	0	1	385.493	0.988	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CCCO1	ZINC000789707983	1205445913	/nfs/dbraw/zinc/44/59/13/1205445913.db2.gz	UQXMLAMNZCIRDZ-HOTGVXAUSA-N	0	1	379.526	0.761	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccnc1-n1cncn1)c1ccn[nH]1	ZINC000789963418	1205453241	/nfs/dbraw/zinc/45/32/41/1205453241.db2.gz	GMXGBQLXYCKJCL-UHFFFAOYSA-N	0	1	384.356	0.308	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nncn1-c1ccccc1)c1ccn[nH]1	ZINC000789957761	1205453472	/nfs/dbraw/zinc/45/34/72/1205453472.db2.gz	URNONXABAUDWSQ-UHFFFAOYSA-N	0	1	397.395	0.591	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H]1COC2(CCCCC2)O1)c1ccn[nH]1	ZINC000789997574	1205454111	/nfs/dbraw/zinc/45/41/11/1205454111.db2.gz	JXAQCAHMOQWTEQ-ZDUSSCGKSA-N	0	1	394.428	0.886	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(C)[nH]c1C(=O)OC)c1ccn[nH]1	ZINC000789972851	1205454360	/nfs/dbraw/zinc/45/43/60/1205454360.db2.gz	KEQCRKHMFRKQTR-UHFFFAOYSA-N	0	1	377.357	0.755	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1	ZINC000792951451	1205494960	/nfs/dbraw/zinc/49/49/60/1205494960.db2.gz	WBSMPTIWYZINHO-MRXNPFEDSA-N	0	1	377.510	0.908	20	30		GCEDMN
N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1	ZINC001129940920	1205525107	/nfs/dbraw/zinc/52/51/07/1205525107.db2.gz	AFWVQIILUWJNDG-SIRPWMCASA-N	0	1	385.472	0.086	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1	ZINC001129940950	1205525112	/nfs/dbraw/zinc/52/51/12/1205525112.db2.gz	BQRCRBNPPPDTGS-AVEIZBFRSA-N	0	1	384.484	0.195	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NC(C)(C)C)[C@@H](n2ccnn2)C1	ZINC001130009356	1205529095	/nfs/dbraw/zinc/52/90/95/1205529095.db2.gz	KWQXXZQBFMDYNJ-WCVJEAGWSA-N	0	1	390.488	0.125	20	30		GCEDMN
C=CCNC(=O)CN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[C@H]2CC)CC1	ZINC001130302332	1205541805	/nfs/dbraw/zinc/54/18/05/1205541805.db2.gz	VDQYRAFFRKOXLR-OYRIPWCXSA-N	0	1	390.528	0.810	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n[nH]1	ZINC000805851931	1205545234	/nfs/dbraw/zinc/54/52/34/1205545234.db2.gz	QUJHEFRSEXUMCQ-QGZVFWFLSA-N	0	1	394.435	0.377	20	30		GCEDMN
COCC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001130406060	1205545503	/nfs/dbraw/zinc/54/55/03/1205545503.db2.gz	VYGKCBCWWPHGCK-BIPCAJJSSA-N	0	1	384.480	0.888	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NC)C1	ZINC001130596709	1205555029	/nfs/dbraw/zinc/55/50/29/1205555029.db2.gz	RBLXXIMZPCPGTK-WTTBNOFXSA-N	0	1	375.473	0.031	20	30		GCEDMN
Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@H]2NCC(=O)NCC#N)c1	ZINC001130628415	1205556276	/nfs/dbraw/zinc/55/62/76/1205556276.db2.gz	QFKFRRITADHMMI-NBOOPKSLSA-N	0	1	384.484	0.380	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cn(C)cn1	ZINC001130630574	1205557074	/nfs/dbraw/zinc/55/70/74/1205557074.db2.gz	OMXNFJMOXZWLGJ-BWPNAZKDSA-N	0	1	386.496	0.769	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1c1cn(C)cn1	ZINC001130678279	1205559329	/nfs/dbraw/zinc/55/93/29/1205559329.db2.gz	SBYRQYGTRPZYFL-KKBFJZEXSA-N	0	1	375.473	0.031	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NCC)C1	ZINC001130991706	1205584843	/nfs/dbraw/zinc/58/48/43/1205584843.db2.gz	ZIGSBTUWJLUCPV-KONPQCLYSA-N	0	1	389.500	0.421	20	30		GCEDMN
C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cncn1C	ZINC001131035657	1205588769	/nfs/dbraw/zinc/58/87/69/1205588769.db2.gz	LHPHXQGUXBQDJB-JPZLZDEASA-N	0	1	399.495	0.030	20	30		GCEDMN
CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1N[C@@H](C#N)C(N)=O	ZINC001170532992	1205589888	/nfs/dbraw/zinc/58/98/88/1205589888.db2.gz	RWFNGDVLMHHKTF-DOMZBBRYSA-N	0	1	388.472	0.670	20	30		GCEDMN
CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1N[C@@H](C#N)C(N)=O	ZINC001170532995	1205589945	/nfs/dbraw/zinc/58/99/45/1205589945.db2.gz	RWFNGDVLMHHKTF-WFASDCNBSA-N	0	1	388.472	0.670	20	30		GCEDMN
COC(=O)c1c(F)cccc1[N-][NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C	ZINC000807987639	1205595322	/nfs/dbraw/zinc/59/53/22/1205595322.db2.gz	JBIJLWQPIWOHOQ-UHFFFAOYSA-N	0	1	377.376	0.522	20	30		GCEDMN
O=C(CN=C1NS(=O)(=O)c2ccccc21)N[C@@H](c1nn[nH]n1)c1ccccc1	ZINC000747469928	1205603864	/nfs/dbraw/zinc/60/38/64/1205603864.db2.gz	KVGUNUBUXNYRBQ-OAHLLOKOSA-N	0	1	397.420	0.144	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1)[C@H]1CCCO1	ZINC000809307328	1205621695	/nfs/dbraw/zinc/62/16/95/1205621695.db2.gz	CJGADOKEAMSTEU-RTBURBONSA-N	0	1	391.512	0.634	20	30		GCEDMN
COc1ccc(CNC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000809503133	1205626497	/nfs/dbraw/zinc/62/64/97/1205626497.db2.gz	WAKKKFNPVJETFT-GASCZTMLSA-N	0	1	388.468	0.799	20	30		GCEDMN
N#Cc1cncc(S(=O)(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c1	ZINC000811701446	1205654950	/nfs/dbraw/zinc/65/49/50/1205654950.db2.gz	WRNUWQSWEBQQEW-UHFFFAOYSA-N	0	1	375.341	0.949	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1	ZINC000747818412	1205668289	/nfs/dbraw/zinc/66/82/89/1205668289.db2.gz	QATGWAQJHNDGJI-HNNXBMFYSA-N	0	1	385.464	0.939	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1[nH+]ccc2c1OCC(=O)N2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170743140	1205690420	/nfs/dbraw/zinc/69/04/20/1205690420.db2.gz	YCPHPSIIDSGJJA-JDNHERCYSA-N	0	1	378.410	0.378	20	30		GCEDMN
C#CCNC(=O)CCN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000815086057	1205698168	/nfs/dbraw/zinc/69/81/68/1205698168.db2.gz	DPHSKDQPBIPBIC-QGZVFWFLSA-N	0	1	375.494	0.983	20	30		GCEDMN
C=C(C)CCN1CC(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2=O)C1	ZINC001094766924	1205707837	/nfs/dbraw/zinc/70/78/37/1205707837.db2.gz	QBGXLKRONOZNQO-RIVXBTQJSA-N	0	1	377.485	0.405	20	30		GCEDMN
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]nc1-c1ccccc1)C2	ZINC001110162832	1205708083	/nfs/dbraw/zinc/70/80/83/1205708083.db2.gz	NECLFODRIPMGFP-ILXRZTDVSA-N	0	1	379.424	0.447	20	30		GCEDMN
N#Cc1ccc(-c2cc(N3CCN(C[C@H](O)C4(O)CCOCC4)CC3)n[nH]2)cc1	ZINC001171804662	1205710080	/nfs/dbraw/zinc/71/00/80/1205710080.db2.gz	GSYMEQADYYBCGT-IBGZPJMESA-N	0	1	397.479	0.973	20	30		GCEDMN
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@@H](C)CCCC#N)C(=O)NCC(N)=O	ZINC001172501948	1205716246	/nfs/dbraw/zinc/71/62/46/1205716246.db2.gz	SLLRMBAPLYMKTF-JYJNAYRXSA-N	0	1	379.505	0.666	20	30		GCEDMN
CC(C)[C@H](NC(=O)[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(N)=O	ZINC001172977854	1205718146	/nfs/dbraw/zinc/71/81/46/1205718146.db2.gz	GJSYTTWKDSMUJI-AJNGGQMLSA-N	0	1	395.504	0.882	20	30		GCEDMN
CCc1cc(N2CCN(c3nccnc3C#N)CC2)nc(N2CCOCC2)n1	ZINC000065503052	1205729731	/nfs/dbraw/zinc/72/97/31/1205729731.db2.gz	OWBZANZJTONZIO-UHFFFAOYSA-N	0	1	380.456	0.864	20	30		GCEDMN
C=CCOC(=O)N1CCC(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)CC1	ZINC001176385828	1205746731	/nfs/dbraw/zinc/74/67/31/1205746731.db2.gz	XILTZIFRYZFZPV-MRXNPFEDSA-N	0	1	377.445	0.608	20	30		GCEDMN
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCN(c2ccc(C#N)cn2)CC1	ZINC001176356603	1205747187	/nfs/dbraw/zinc/74/71/87/1205747187.db2.gz	LGNAEHCNHBNJGN-QGZVFWFLSA-N	0	1	381.440	0.462	20	30		GCEDMN
N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cc4c[nH]cn4)C3)OCC2=O)cc1	ZINC001176829295	1205755789	/nfs/dbraw/zinc/75/57/89/1205755789.db2.gz	PHUXOMVJWUNJGI-FQEVSTJZSA-N	0	1	395.419	0.485	20	30		GCEDMN
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(NC(=O)Cc2nn[nH]n2)c1	ZINC001176845075	1205757744	/nfs/dbraw/zinc/75/77/44/1205757744.db2.gz	PGBYNPBOOYTSNX-HGKCTWBKSA-N	0	1	380.408	0.830	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCc2nc(Cl)ncc2C1)c1cc[nH]n1	ZINC001177258514	1205764247	/nfs/dbraw/zinc/76/42/47/1205764247.db2.gz	LKRGDDOULZDIDH-HMAPJEAMSA-N	0	1	392.803	0.722	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnn(C2CCOCC2)c1)c1ccn[nH]1	ZINC001177257736	1205764853	/nfs/dbraw/zinc/76/48/53/1205764853.db2.gz	XPYKASDDCDEEJI-JWGURIENSA-N	0	1	390.400	0.880	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnc(Cl)nc1OC)c1ccn[nH]1	ZINC001177256933	1205764906	/nfs/dbraw/zinc/76/49/06/1205764906.db2.gz	CRKLYUDSFHJEIZ-NHDPSOOVSA-N	0	1	382.764	0.784	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnc(C(=O)OCC)nc1)c1ccn[nH]1	ZINC001177257290	1205765061	/nfs/dbraw/zinc/76/50/61/1205765061.db2.gz	LYYSPFAHKNDWOI-XKZIYDEJSA-N	0	1	390.356	0.299	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1cc[nH]n1	ZINC001177262735	1205765253	/nfs/dbraw/zinc/76/52/53/1205765253.db2.gz	GHVPSCQUJQKIAD-QNGOZBTKSA-N	0	1	393.444	0.410	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@@H](n2ccnn2)C1)c1cc[nH]n1	ZINC001177262665	1205765355	/nfs/dbraw/zinc/76/53/55/1205765355.db2.gz	FWHUXBDZKCFDPM-FWORZXNSSA-N	0	1	375.389	0.149	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@H](n2cncn2)C1)c1cc[nH]n1	ZINC001177263146	1205765451	/nfs/dbraw/zinc/76/54/51/1205765451.db2.gz	MMDLNSCGRDHLCY-OBZJLHOISA-N	0	1	375.389	0.149	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1c2c(ccc1C)C(=O)NC2)c1ccn[nH]1	ZINC001177263122	1205765468	/nfs/dbraw/zinc/76/54/68/1205765468.db2.gz	MCAAQRMOOHRECW-KQWNVCNZSA-N	0	1	385.380	0.884	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccn[nH]1	ZINC001177262909	1205765532	/nfs/dbraw/zinc/76/55/32/1205765532.db2.gz	LEENDTSAUJHMAD-JCMHNJIXSA-N	0	1	375.385	0.727	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCO[C@H](C(F)(F)F)C1)c1cc[nH]n1	ZINC001177263603	1205765600	/nfs/dbraw/zinc/76/56/00/1205765600.db2.gz	WQUOEBGNVNVNOS-IRTGHPOMSA-N	0	1	378.307	0.483	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1)c1ccn[nH]1	ZINC001177263112	1205765632	/nfs/dbraw/zinc/76/56/32/1205765632.db2.gz	OUGQKYXHFCXQNL-CFXPEFFESA-N	0	1	387.396	0.468	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(OC)ccc1CO)c1ccn[nH]1	ZINC001177263018	1205765655	/nfs/dbraw/zinc/76/56/55/1205765655.db2.gz	NGOZQXURMPYBGP-PGMHBOJBSA-N	0	1	376.369	0.833	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(OC)nc1OC)c1ccn[nH]1	ZINC001177263978	1205765790	/nfs/dbraw/zinc/76/57/90/1205765790.db2.gz	MHIBGYGDISWIHZ-JCMHNJIXSA-N	0	1	391.384	0.422	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1c[nH]c2cccnc12)c1ccn[nH]1	ZINC001177264113	1205765994	/nfs/dbraw/zinc/76/59/94/1205765994.db2.gz	SEMLGIKDIBMVCN-ULJHMMPZSA-N	0	1	384.396	0.929	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1(C#N)Cc2ccccc2C1)c1ccn[nH]1	ZINC001177267343	1205766152	/nfs/dbraw/zinc/76/61/52/1205766152.db2.gz	WIHQIGKHQXCYRA-ULJHMMPZSA-N	0	1	381.392	0.871	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc2c(c1)CC(=O)N2)c1ccn[nH]1	ZINC001177266887	1205766295	/nfs/dbraw/zinc/76/62/95/1205766295.db2.gz	PWSMBYWZSRCALL-QJOMJCCJSA-N	0	1	385.380	0.505	20	30		GCEDMN
CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)Cc1ccnc(C#N)c1	ZINC001177667468	1205773765	/nfs/dbraw/zinc/77/37/65/1205773765.db2.gz	UWOGSXMRSZIMRM-UHFFFAOYSA-N	0	1	375.410	0.118	20	30		GCEDMN
COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001177909867	1205779414	/nfs/dbraw/zinc/77/94/14/1205779414.db2.gz	QRLSTBLNWRDRBE-DGCLKSJQSA-N	0	1	382.463	0.619	20	30		GCEDMN
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2)[nH]1	ZINC001179393627	1205809640	/nfs/dbraw/zinc/80/96/40/1205809640.db2.gz	CWSPLFMPFSEMDW-LJQANCHMSA-N	0	1	384.392	0.636	20	30		GCEDMN
COc1ccc(C#CC(=O)N(Cc2noc3c2CNCC3)S(C)(=O)=O)cc1	ZINC001182046115	1205854240	/nfs/dbraw/zinc/85/42/40/1205854240.db2.gz	FWQXPCPTVXKMAI-UHFFFAOYSA-N	0	1	389.433	0.669	20	30		GCEDMN
C=CCSCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC4CCN3CC4)C[C@@H](C1)O2	ZINC001273474018	1205860806	/nfs/dbraw/zinc/86/08/06/1205860806.db2.gz	LPSROMPHZFOAHN-IXDOHACOSA-N	0	1	379.526	0.828	20	30		GCEDMN
CN1CCN(Cc2cn3c(n2)CN(C(=O)COc2ccc(C#N)cc2)CC3)CC1	ZINC001182912601	1205883066	/nfs/dbraw/zinc/88/30/66/1205883066.db2.gz	AXADXHLWBABWIA-UHFFFAOYSA-N	0	1	394.479	0.923	20	30		GCEDMN
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N(C)C)C1	ZINC001182977401	1205885168	/nfs/dbraw/zinc/88/51/68/1205885168.db2.gz	SUWIPBPCUUHVRZ-ULQDDVLXSA-N	0	1	396.532	0.219	20	30		GCEDMN
CS(=O)(=O)N1CC(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1	ZINC001183026613	1205886372	/nfs/dbraw/zinc/88/63/72/1205886372.db2.gz	QMJSWOVPWZPQOU-UHFFFAOYSA-N	0	1	376.482	0.552	20	30		GCEDMN
CCOC(=O)c1sc(S(=O)(=O)N[C@@H](CS)C(=O)OCC)nc1C	ZINC001184967207	1205914990	/nfs/dbraw/zinc/91/49/90/1205914990.db2.gz	YKQCEKRYBFUOOR-QMMMGPOBSA-N	0	1	382.485	0.768	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1	ZINC000774833870	1205916936	/nfs/dbraw/zinc/91/69/36/1205916936.db2.gz	WGNIEBYMTCTYTB-OAQYLSRUSA-N	0	1	384.524	0.735	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1	ZINC000774953879	1205932116	/nfs/dbraw/zinc/93/21/16/1205932116.db2.gz	CIENQDCIDDESAB-UXHICEINSA-N	0	1	398.507	0.217	20	30		GCEDMN
N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)[nH]1	ZINC001571296265	946189043	/nfs/dbraw/zinc/18/90/43/946189043.db2.gz	SGIXMSAQDBGPBH-OLZOCXBDSA-N	0	1	390.411	0.740	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573287050	946825909	/nfs/dbraw/zinc/82/59/09/946825909.db2.gz	LAYRTWIDPYPNBY-IHRRRGAJSA-N	0	1	384.444	0.204	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nc1	ZINC001573287493	946837512	/nfs/dbraw/zinc/83/75/12/946837512.db2.gz	ISNACDXBPWZZSI-GOSISDBHSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573287875	946849323	/nfs/dbraw/zinc/84/93/23/946849323.db2.gz	LTLRWJSMXBDKMP-IUODEOHRSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nc1	ZINC001573289478	946885266	/nfs/dbraw/zinc/88/52/66/946885266.db2.gz	ZHAKSLXGQCQSBI-LBPRGKRZSA-N	0	1	383.437	0.185	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nc1	ZINC001573289478	946885275	/nfs/dbraw/zinc/88/52/75/946885275.db2.gz	ZHAKSLXGQCQSBI-LBPRGKRZSA-N	0	1	383.437	0.185	20	30		GCEDMN
C#Cc1ccc(C(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cn1	ZINC001573289582	946890112	/nfs/dbraw/zinc/89/01/12/946890112.db2.gz	OCHILDVLJINPIJ-UHFFFAOYSA-N	0	1	389.423	0.774	20	30		GCEDMN
C#CCOc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1	ZINC001573290280	946900769	/nfs/dbraw/zinc/90/07/69/946900769.db2.gz	VBOSOXYMFGDQLP-QWHCGFSZSA-N	0	1	392.423	0.710	20	30		GCEDMN
C#Cc1cncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1	ZINC001573292328	946934487	/nfs/dbraw/zinc/93/44/87/946934487.db2.gz	TZHJPHDYECGEET-SMDDNHRTSA-N	0	1	375.396	0.170	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573294695	946995323	/nfs/dbraw/zinc/99/53/23/946995323.db2.gz	IUDFUKMOUKDSHS-ZQIUZPCESA-N	0	1	383.456	0.925	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1	ZINC001573566279	947021137	/nfs/dbraw/zinc/02/11/37/947021137.db2.gz	AJBFELLCKFAVSF-XIKOKIGWSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566301	947023753	/nfs/dbraw/zinc/02/37/53/947023753.db2.gz	AUTVJHFPYCJUOJ-STQMWFEESA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566301	947023762	/nfs/dbraw/zinc/02/37/62/947023762.db2.gz	AUTVJHFPYCJUOJ-STQMWFEESA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566300	947025393	/nfs/dbraw/zinc/02/53/93/947025393.db2.gz	AUTVJHFPYCJUOJ-QWHCGFSZSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566300	947025405	/nfs/dbraw/zinc/02/54/05/947025405.db2.gz	AUTVJHFPYCJUOJ-QWHCGFSZSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)NC1(CO)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573572036	947107484	/nfs/dbraw/zinc/10/74/84/947107484.db2.gz	DGNZJHSVDIVYOQ-GFCCVEGCSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@H](C#N)C(=O)NC1(CO)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001573575273	947137477	/nfs/dbraw/zinc/13/74/77/947137477.db2.gz	WRHZOSFGGCABAL-GFCCVEGCSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1	ZINC001573576746	947156351	/nfs/dbraw/zinc/15/63/51/947156351.db2.gz	JFMMRCLFDUDAMW-LLVKDONJSA-N	0	1	375.458	0.843	20	30		GCEDMN
C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1	ZINC001573576746	947156359	/nfs/dbraw/zinc/15/63/59/947156359.db2.gz	JFMMRCLFDUDAMW-LLVKDONJSA-N	0	1	375.458	0.843	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573309126	947192045	/nfs/dbraw/zinc/19/20/45/947192045.db2.gz	CUGRQTPTWDVTNW-CLAHSXSESA-N	0	1	383.865	0.999	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573309129	947192307	/nfs/dbraw/zinc/19/23/07/947192307.db2.gz	CUGRQTPTWDVTNW-XLKFXECMSA-N	0	1	383.865	0.999	20	30		GCEDMN
C=C[C@@](C)(O)CC(=O)N(C)[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1	ZINC001573309730	947208086	/nfs/dbraw/zinc/20/80/86/947208086.db2.gz	NNSGEPDFVYVADL-VQIMIIECSA-N	0	1	385.472	0.968	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1	ZINC001573309728	947209086	/nfs/dbraw/zinc/20/90/86/947209086.db2.gz	NNSGEPDFVYVADL-LPHOPBHVSA-N	0	1	385.472	0.968	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F	ZINC001573584287	947215489	/nfs/dbraw/zinc/21/54/89/947215489.db2.gz	SQMFRRTZBNRUFV-VHSXEESVSA-N	0	1	377.359	0.394	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1	ZINC001573584472	947223313	/nfs/dbraw/zinc/22/33/13/947223313.db2.gz	WMNDBMOXYLQNNH-WFASDCNBSA-N	0	1	387.419	0.873	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1	ZINC001573584471	947224914	/nfs/dbraw/zinc/22/49/14/947224914.db2.gz	WMNDBMOXYLQNNH-SWLSCSKDSA-N	0	1	387.419	0.873	20	30		GCEDMN
C=CC1(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CCCCC1	ZINC001573314954	947239923	/nfs/dbraw/zinc/23/99/23/947239923.db2.gz	INARKKBCRSIWQZ-KGLIPLIRSA-N	0	1	398.471	0.849	20	30		GCEDMN
C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[nH]n3)n1)C2	ZINC001573585192	947250360	/nfs/dbraw/zinc/25/03/60/947250360.db2.gz	MFIOZOVWFXTUNQ-LLVKDONJSA-N	0	1	375.396	0.953	20	30		GCEDMN
C=CCCCC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O	ZINC001573335452	947477642	/nfs/dbraw/zinc/47/76/42/947477642.db2.gz	OGBHPVFJXFNDLR-RKDXNWHRSA-N	0	1	383.865	0.999	20	30		GCEDMN
C=CCCn1cc(C(=O)Nc2c(-c3nn[nH]n3)nnn2Cc2ccccc2)nn1	ZINC001573341974	947536385	/nfs/dbraw/zinc/53/63/85/947536385.db2.gz	RXNWFUBQZMZIIY-UHFFFAOYSA-N	0	1	391.399	0.926	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1	ZINC001573350570	947599516	/nfs/dbraw/zinc/59/95/16/947599516.db2.gz	GNNCZJQHUDJDMM-OLZOCXBDSA-N	0	1	384.444	0.511	20	30		GCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001602789570	971545929	/nfs/dbraw/zinc/54/59/29/971545929.db2.gz	VTKKVIJHEXNMMF-LPMFXHHGSA-N	0	1	378.473	0.827	20	30		GCEDMN
C[C@H](NC(=O)CSCC#N)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001575283321	949866127	/nfs/dbraw/zinc/86/61/27/949866127.db2.gz	OGSQLIJPOCZEGM-NWDGAFQWSA-N	0	1	387.473	0.635	20	30		GCEDMN
C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576184014	950109449	/nfs/dbraw/zinc/10/94/49/950109449.db2.gz	VCDHZSXYLHAZDT-SMDDNHRTSA-N	0	1	392.427	0.631	20	30		GCEDMN
CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1c[nH]c(C#N)c1	ZINC001574157550	950242183	/nfs/dbraw/zinc/24/21/83/950242183.db2.gz	CSRKOFOORCLCDI-ZDUSSCGKSA-N	0	1	380.416	0.535	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573851925	950296322	/nfs/dbraw/zinc/29/63/22/950296322.db2.gz	AUQNZXPQUNJZCZ-GXSJLCMTSA-N	0	1	382.388	0.699	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001573852880	950312278	/nfs/dbraw/zinc/31/22/78/950312278.db2.gz	KKLXWTFIHMIJEF-KOLCDFICSA-N	0	1	382.388	0.699	20	30		GCEDMN
CC(C)(C)OC(=O)N1CCC2(CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)C1	ZINC001573853123	950317409	/nfs/dbraw/zinc/31/74/09/950317409.db2.gz	LKAYUVLCFUSSFF-UHFFFAOYSA-N	0	1	383.416	0.976	20	30		GCEDMN
CC(C)(C)OC(=O)NC[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1	ZINC001573860085	950417741	/nfs/dbraw/zinc/41/77/41/950417741.db2.gz	DJLYHGKAJNVEOZ-SNVBAGLBSA-N	0	1	387.404	0.258	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cnc1-c1nnn[n-]1	ZINC001571128173	952565321	/nfs/dbraw/zinc/56/53/21/952565321.db2.gz	PSZLMUHQRVRERQ-AWEZNQCLSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cnc1-c1nnn[n-]1	ZINC001571128173	952565323	/nfs/dbraw/zinc/56/53/23/952565323.db2.gz	PSZLMUHQRVRERQ-AWEZNQCLSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cnc1-c1nn[n-]n1	ZINC001571128173	952565329	/nfs/dbraw/zinc/56/53/29/952565329.db2.gz	PSZLMUHQRVRERQ-AWEZNQCLSA-N	0	1	377.412	0.707	20	30		GCEDMN
N#Cc1nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cnc1-c1nn[n-]n1	ZINC001571128173	952565334	/nfs/dbraw/zinc/56/53/34/952565334.db2.gz	PSZLMUHQRVRERQ-AWEZNQCLSA-N	0	1	377.412	0.707	20	30		GCEDMN
CC1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001571136417	952614048	/nfs/dbraw/zinc/61/40/48/952614048.db2.gz	PVAXYCTYSWIIMM-UHFFFAOYSA-N	0	1	378.400	0.645	20	30		GCEDMN
C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001571136436	952614241	/nfs/dbraw/zinc/61/42/41/952614241.db2.gz	QIIFOEINLVJIPY-CMPLNLGQSA-N	0	1	378.400	0.099	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1	ZINC001571179890	952856275	/nfs/dbraw/zinc/85/62/75/952856275.db2.gz	JLSWWJAEIWJSKG-GXTWGEPZSA-N	0	1	381.444	0.881	20	30		GCEDMN
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)cn1	ZINC001571235414	953212042	/nfs/dbraw/zinc/21/20/42/953212042.db2.gz	CVXQYRQRXLFNOH-UHFFFAOYSA-N	0	1	384.381	0.757	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593729510	954309188	/nfs/dbraw/zinc/30/91/88/954309188.db2.gz	XOLRMYWDNAEQOT-JQWIXIFHSA-N	0	1	378.351	0.345	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593729510	954309202	/nfs/dbraw/zinc/30/92/02/954309202.db2.gz	XOLRMYWDNAEQOT-JQWIXIFHSA-N	0	1	378.351	0.345	20	30		GCEDMN
N#Cc1cccc(CNC(=O)C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1	ZINC001594625701	956312045	/nfs/dbraw/zinc/31/20/45/956312045.db2.gz	NJXMLLVMDLHQID-INIZCTEOSA-N	0	1	384.436	0.572	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@@H]3C(=O)[O-])CC2)o1	ZINC001594445157	959322695	/nfs/dbraw/zinc/32/26/95/959322695.db2.gz	PCVKHYHSSLXEKD-BLLLJJGKSA-N	0	1	375.429	0.688	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3C(=O)[O-])CC2)o1	ZINC001594445157	959322704	/nfs/dbraw/zinc/32/27/04/959322704.db2.gz	PCVKHYHSSLXEKD-BLLLJJGKSA-N	0	1	375.429	0.688	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C[C@H]2C(=O)[O-]	ZINC001604289925	972886062	/nfs/dbraw/zinc/88/60/62/972886062.db2.gz	AQHBLRWESIJMIZ-SIRSKZSMSA-N	0	1	388.420	0.884	20	30		GCEDMN
CC[C@](COC)([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)[O-]	ZINC001595194451	979900455	/nfs/dbraw/zinc/90/04/55/979900455.db2.gz	GAHBPXSQUMUKMQ-KBXCAEBGSA-N	0	1	394.497	0.926	20	30		GCEDMN
C=CCNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)ccc1F	ZINC001588847493	984364635	/nfs/dbraw/zinc/36/46/35/984364635.db2.gz	ASBPUVXZXZAGJA-CYBMUJFWSA-N	0	1	399.444	0.378	20	30		GCEDMN
C[N@@H+](CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CC(=O)[O-]	ZINC001598490458	992282297	/nfs/dbraw/zinc/28/22/97/992282297.db2.gz	HMNXYNNMYWSRRW-UHFFFAOYSA-N	0	1	395.257	0.890	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC001598774212	995912976	/nfs/dbraw/zinc/91/29/76/995912976.db2.gz	YLGBIBCUTHQLQQ-ZOBUZTSGSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC001598774212	995912982	/nfs/dbraw/zinc/91/29/82/995912982.db2.gz	YLGBIBCUTHQLQQ-ZOBUZTSGSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774872	995919485	/nfs/dbraw/zinc/91/94/85/995919485.db2.gz	GJQUNUWQBXDZTA-QWHCGFSZSA-N	0	1	381.410	0.065	20	30		GCEDMN
COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001598774872	995919489	/nfs/dbraw/zinc/91/94/89/995919489.db2.gz	GJQUNUWQBXDZTA-QWHCGFSZSA-N	0	1	381.410	0.065	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC001598781077	995985710	/nfs/dbraw/zinc/98/57/10/995985710.db2.gz	WCAVKPGOZGEKLU-INMHGKMJSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC[C@]1(C(=O)[O-])CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001599188804	997082104	/nfs/dbraw/zinc/08/21/04/997082104.db2.gz	SYAADKSCXIPPFA-APWZRJJASA-N	0	1	380.489	0.634	20	30		GCEDMN
COC[C@]1(C(=O)[O-])CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001599188804	997082113	/nfs/dbraw/zinc/08/21/13/997082113.db2.gz	SYAADKSCXIPPFA-APWZRJJASA-N	0	1	380.489	0.634	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)NC1CCN(CCOC(C)C)CC1	ZINC000410124784	530235216	/nfs/dbraw/zinc/23/52/16/530235216.db2.gz	XQIBCEGXJUMFPV-UHFFFAOYSA-N	0	1	376.523	0.572	20	30		GCEDMN
CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1cccnc1C#N)C(F)(F)F	ZINC000285219141	530220643	/nfs/dbraw/zinc/22/06/43/530220643.db2.gz	GKPGOSHYPUNLLH-JTQLQIEISA-N	0	1	386.377	0.054	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000288066101	530258583	/nfs/dbraw/zinc/25/85/83/530258583.db2.gz	PQPOZQKIWZKVAD-CYBMUJFWSA-N	0	1	394.273	0.621	20	30		GCEDMN
CN(C)CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1	ZINC000570647696	530322562	/nfs/dbraw/zinc/32/25/62/530322562.db2.gz	KDVGSVAYAZTXTO-UHFFFAOYSA-N	0	1	386.499	0.203	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1	ZINC000571762249	530508251	/nfs/dbraw/zinc/50/82/51/530508251.db2.gz	DXIIWWBSZKBDOO-CYBMUJFWSA-N	0	1	380.367	0.812	20	30		GCEDMN
CCN1C[C@H](C)N(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H]1C	ZINC000328966047	530518893	/nfs/dbraw/zinc/51/88/93/530518893.db2.gz	MQKNBYQNYCKKEL-KGLIPLIRSA-N	0	1	378.564	0.694	20	30		GCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C#N	ZINC000566488154	530530680	/nfs/dbraw/zinc/53/06/80/530530680.db2.gz	LHCWBDNAKUEQBO-LBPRGKRZSA-N	0	1	388.515	0.495	20	30		GCEDMN
CC[C@@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N	ZINC000582191692	530583790	/nfs/dbraw/zinc/58/37/90/530583790.db2.gz	HUXBNOOYKNTUPY-CQSZACIVSA-N	0	1	394.563	0.344	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](C)S(=O)(=O)CC2)C1	ZINC000330259058	530630608	/nfs/dbraw/zinc/63/06/08/530630608.db2.gz	RUSGRCGXFFYSKS-JKSUJKDBSA-N	0	1	375.535	0.809	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)C[C@H](C)C2)C1	ZINC000330335971	530644439	/nfs/dbraw/zinc/64/44/39/530644439.db2.gz	RZOXYHRGMCBDEC-HZPDHXFCSA-N	0	1	375.535	0.666	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)c1C	ZINC000349528806	530674451	/nfs/dbraw/zinc/67/44/51/530674451.db2.gz	YLOJYVSSYWWGSF-SNVBAGLBSA-N	0	1	377.492	0.722	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)c1C	ZINC000349568239	530698037	/nfs/dbraw/zinc/69/80/37/530698037.db2.gz	GVXJFLUTSCJYBT-UHFFFAOYSA-N	0	1	375.476	0.382	20	30		GCEDMN
Cn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)cc1C(N)=O	ZINC000476221108	530730457	/nfs/dbraw/zinc/73/04/57/530730457.db2.gz	RXSNDQSTSVWZAB-UHFFFAOYSA-N	0	1	382.423	0.222	20	30		GCEDMN
COCCO[C@H]1COCC[C@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000485939483	530747026	/nfs/dbraw/zinc/74/70/26/530747026.db2.gz	XZEVAQZNKYGKQJ-KGLIPLIRSA-N	0	1	376.381	0.935	20	30		GCEDMN
CCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1	ZINC000581953929	530769503	/nfs/dbraw/zinc/76/95/03/530769503.db2.gz	CWJIZTVRCUVIIV-ZDUSSCGKSA-N	0	1	388.515	0.449	20	30		GCEDMN
N#Cc1cc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)ccc1Br	ZINC000600098561	530821092	/nfs/dbraw/zinc/82/10/92/530821092.db2.gz	JEILDYHPLHZFCB-LBPRGKRZSA-N	0	1	381.230	0.442	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)c1C	ZINC000349540641	530901187	/nfs/dbraw/zinc/90/11/87/530901187.db2.gz	JWYIIWVUYGMKEP-UHFFFAOYSA-N	0	1	389.503	0.772	20	30		GCEDMN
CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349494094	530880425	/nfs/dbraw/zinc/88/04/25/530880425.db2.gz	NLALRKGROWAZLZ-CYBMUJFWSA-N	0	1	389.503	0.350	20	30		GCEDMN
CN1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000278608832	530916951	/nfs/dbraw/zinc/91/69/51/530916951.db2.gz	BOHKRGJKOCKOGG-UHFFFAOYSA-N	0	1	387.303	0.846	20	30		GCEDMN
C=CCN(CC=C)[C@H](CNS(=O)(=O)CCNS(=O)(=O)CC)C(C)C	ZINC000275658443	531008256	/nfs/dbraw/zinc/00/82/56/531008256.db2.gz	MLHMSVNAVMSEST-OAHLLOKOSA-N	0	1	381.564	0.544	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])c1	ZINC000819706229	598068125	/nfs/dbraw/zinc/06/81/25/598068125.db2.gz	RJFZOSYQNFVSLA-AWEZNQCLSA-N	0	1	380.422	0.304	20	30		GCEDMN
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)CC1	ZINC000820353826	598227344	/nfs/dbraw/zinc/22/73/44/598227344.db2.gz	FMUXWDAVMCGZEU-IBGZPJMESA-N	0	1	378.473	0.784	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1	ZINC000736847848	598259267	/nfs/dbraw/zinc/25/92/67/598259267.db2.gz	WZSCNPUQEGTZGH-UHFFFAOYSA-N	0	1	392.427	0.352	20	30		GCEDMN
N#CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21	ZINC000737697174	598533992	/nfs/dbraw/zinc/53/39/92/598533992.db2.gz	XQFZYGNUSPGISC-UHFFFAOYSA-N	0	1	388.185	0.584	20	30		GCEDMN
C=CCOCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000735437454	598815089	/nfs/dbraw/zinc/81/50/89/598815089.db2.gz	JHERGLIXYBPHHN-UHFFFAOYSA-N	0	1	385.384	0.966	20	30		GCEDMN
N#CCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000826382281	607610268	/nfs/dbraw/zinc/61/02/68/607610268.db2.gz	WXFULZAUQYUVJD-UHFFFAOYSA-N	0	1	392.401	0.041	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)CC1	ZINC000833466713	605042145	/nfs/dbraw/zinc/04/21/45/605042145.db2.gz	MHHBUYSANHHBSX-IAGOWNOFSA-N	0	1	380.489	0.634	20	30		GCEDMN
C=CCCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000819739962	607003467	/nfs/dbraw/zinc/00/34/67/607003467.db2.gz	LSACDAHZZVDQMC-UHFFFAOYSA-N	0	1	379.446	0.760	20	30		GCEDMN
N#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Br)cc1	ZINC000822802327	607206718	/nfs/dbraw/zinc/20/67/18/607206718.db2.gz	ZGONMYNRGUDUBT-JTQLQIEISA-N	0	1	388.189	0.602	20	30		GCEDMN
N#C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1Br	ZINC000822801160	607217030	/nfs/dbraw/zinc/21/70/30/607217030.db2.gz	FLWFTIUYZBBAGJ-SNVBAGLBSA-N	0	1	388.189	0.602	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(OCC#N)cc2)c1-c1nnn[n-]1	ZINC000826077500	608020537	/nfs/dbraw/zinc/02/05/37/608020537.db2.gz	KFTRWGOAWBBKKB-UHFFFAOYSA-N	0	1	395.427	0.825	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(OCC#N)cc2)c1-c1nn[n-]n1	ZINC000826077500	608020538	/nfs/dbraw/zinc/02/05/38/608020538.db2.gz	KFTRWGOAWBBKKB-UHFFFAOYSA-N	0	1	395.427	0.825	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2C#N)c1-c1nnn[n-]1	ZINC000826077440	608021207	/nfs/dbraw/zinc/02/12/07/608021207.db2.gz	IESACCDEBNYYFG-UHFFFAOYSA-N	0	1	381.400	0.631	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2C#N)c1-c1nn[n-]n1	ZINC000826077440	608021208	/nfs/dbraw/zinc/02/12/08/608021208.db2.gz	IESACCDEBNYYFG-UHFFFAOYSA-N	0	1	381.400	0.631	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000825934639	608035828	/nfs/dbraw/zinc/03/58/28/608035828.db2.gz	PDOJXBXVWXGTDG-ZDUSSCGKSA-N	0	1	397.443	0.348	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000825934639	608035829	/nfs/dbraw/zinc/03/58/29/608035829.db2.gz	PDOJXBXVWXGTDG-ZDUSSCGKSA-N	0	1	397.443	0.348	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000825934639	608035830	/nfs/dbraw/zinc/03/58/30/608035830.db2.gz	PDOJXBXVWXGTDG-ZDUSSCGKSA-N	0	1	397.443	0.348	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000825934639	608035831	/nfs/dbraw/zinc/03/58/31/608035831.db2.gz	PDOJXBXVWXGTDG-ZDUSSCGKSA-N	0	1	397.443	0.348	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)Nc1cccc(C#N)c1	ZINC000825933451	608035862	/nfs/dbraw/zinc/03/58/62/608035862.db2.gz	FCUVTIVTMVCFJG-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)Nc1cccc(C#N)c1	ZINC000825933451	608035863	/nfs/dbraw/zinc/03/58/63/608035863.db2.gz	FCUVTIVTMVCFJG-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)Nc1cccc(C#N)c1	ZINC000825933451	608035864	/nfs/dbraw/zinc/03/58/64/608035864.db2.gz	FCUVTIVTMVCFJG-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)Nc1cccc(C#N)c1	ZINC000825933451	608035865	/nfs/dbraw/zinc/03/58/65/608035865.db2.gz	FCUVTIVTMVCFJG-UHFFFAOYSA-N	0	1	394.443	0.937	20	30		GCEDMN
C=CCOCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000823925890	609619784	/nfs/dbraw/zinc/61/97/84/609619784.db2.gz	QDDHKPARCKLQGR-UHFFFAOYSA-N	0	1	388.432	0.766	20	30		GCEDMN
CSc1n[nH]c(NC(=O)CCCN=C2NS(=O)(=O)c3ccccc32)n1	ZINC000727486925	638749504	/nfs/dbraw/zinc/74/95/04/638749504.db2.gz	VOJUHHBJMXJOBQ-UHFFFAOYSA-N	0	1	380.455	0.984	20	30		GCEDMN
CC(=O)Nc1cccnc1NS(=O)(=O)CCCS(=O)(=O)NCCC#N	ZINC000349591651	639615914	/nfs/dbraw/zinc/61/59/14/639615914.db2.gz	LUHHBCBBVRQKRI-UHFFFAOYSA-N	0	1	389.459	0.005	20	30		GCEDMN
O=S(=O)([N-]c1ccccn1)c1ccc(NNC2=CS(=O)(=O)CC2)[nH+]c1	ZINC000914699683	639742237	/nfs/dbraw/zinc/74/22/37/639742237.db2.gz	JSXUCOPZUXPYQL-UHFFFAOYSA-N	0	1	381.439	0.864	20	30		GCEDMN
O=C(NCCNS(=O)(=O)c1c(F)cc(F)cc1F)C1N=CC=CC1=O	ZINC000735080497	640012692	/nfs/dbraw/zinc/01/26/92/640012692.db2.gz	HZZAQMNATWLEDV-WYMLVPIESA-N	0	1	375.328	0.909	20	30		GCEDMN
O=C(NCCNS(=O)(=O)c1c(F)cc(F)cc1F)C1N=CC=CC1=O	ZINC000735080496	640012859	/nfs/dbraw/zinc/01/28/59/640012859.db2.gz	HZZAQMNATWLEDV-OWBHPGMISA-N	0	1	375.328	0.909	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=CCc2ccc(F)cc2Cl)c(=O)n(C)c1=O	ZINC000766452879	640696596	/nfs/dbraw/zinc/69/65/96/640696596.db2.gz	IWIKXKIRKVBNAL-UHFFFAOYSA-N	0	1	388.808	0.383	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2Cc3ccc(Cl)cc3C2)c(=O)n(C)c1=O	ZINC000771898339	640835067	/nfs/dbraw/zinc/83/50/67/640835067.db2.gz	XAEIQEOATJAIQC-UHFFFAOYSA-N	0	1	382.829	0.171	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)s1	ZINC000771892894	640835228	/nfs/dbraw/zinc/83/52/28/640835228.db2.gz	VUXAFGAPEJDTLG-UHFFFAOYSA-N	0	1	390.874	0.892	20	30		GCEDMN
C#CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CSC1	ZINC000878911569	641603519	/nfs/dbraw/zinc/60/35/19/641603519.db2.gz	ISJSDHGDQOIJJV-UHFFFAOYSA-N	0	1	381.523	0.433	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cscc2C(F)(F)F)c(=O)n(C)c1=O	ZINC000811645437	641759469	/nfs/dbraw/zinc/75/94/69/641759469.db2.gz	LUWFXBXWEFGTTG-UHFFFAOYSA-N	0	1	396.372	0.477	20	30		GCEDMN
CC(N=Nc1cnnn1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1	ZINC000814982332	641814634	/nfs/dbraw/zinc/81/46/34/641814634.db2.gz	WLYBHBUQFZTSFD-UHFFFAOYSA-N	0	1	386.459	0.377	20	30		GCEDMN
N#Cc1sc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)nc1Cl	ZINC001041421375	642075025	/nfs/dbraw/zinc/07/50/25/642075025.db2.gz	LMRBNGSRUUCDSM-YJFSRANCSA-N	0	1	378.845	0.861	20	30		GCEDMN
N#Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H](O)C2)sc1Cl	ZINC001044749827	642075877	/nfs/dbraw/zinc/07/58/77/642075877.db2.gz	VVVHTEGXMIIHPJ-VNOQCFOKSA-N	0	1	378.845	0.861	20	30		GCEDMN
C#CCCS(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1	ZINC000832216060	642182773	/nfs/dbraw/zinc/18/27/73/642182773.db2.gz	XXXHLFIOPYFTPW-OLZOCXBDSA-N	0	1	382.404	0.888	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cccn2c(I)cnc12	ZINC000834480189	642212904	/nfs/dbraw/zinc/21/29/04/642212904.db2.gz	MHVGCVJYUAPNNX-WCBMZHEXSA-N	0	1	381.177	0.780	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O	ZINC000834515603	642213906	/nfs/dbraw/zinc/21/39/06/642213906.db2.gz	ACORUYMXQOPDTK-HZMBPMFUSA-N	0	1	390.241	0.777	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000834521603	642214558	/nfs/dbraw/zinc/21/45/58/642214558.db2.gz	OAAJNRORVGQTQP-ONGXEEELSA-N	0	1	379.214	0.402	20	30		GCEDMN
CN(C)c1c(C=[NH+][N-]c2cccc(Br)n2)c(=O)n(C)c(=O)n1C	ZINC000835024054	642220971	/nfs/dbraw/zinc/22/09/71/642220971.db2.gz	WQAYJTZWBHDUGT-UHFFFAOYSA-N	0	1	381.234	0.754	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1	ZINC000841229152	642291847	/nfs/dbraw/zinc/29/18/47/642291847.db2.gz	IXVVZYZLKWTFOX-MFKMUULPSA-N	0	1	395.261	0.914	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000843460813	642370167	/nfs/dbraw/zinc/37/01/67/642370167.db2.gz	QRCRABBTHSNTSN-GHMZBOCLSA-N	0	1	377.451	0.139	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000843459787	642370282	/nfs/dbraw/zinc/37/02/82/642370282.db2.gz	IHICMHHFNFEBNO-PELKAZGASA-N	0	1	377.253	0.499	20	30		GCEDMN
CN(C)c1c(C=[NH+][N-]c2ncc(Br)cn2)c(=O)n(C)c(=O)n1C	ZINC000848420151	642537744	/nfs/dbraw/zinc/53/77/44/642537744.db2.gz	QUEWPLGCIPFSJY-UHFFFAOYSA-N	0	1	382.222	0.149	20	30		GCEDMN
C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848959746	642578464	/nfs/dbraw/zinc/57/84/64/642578464.db2.gz	PFJAIPVUBJZJJM-JTQLQIEISA-N	0	1	395.894	0.826	20	30		GCEDMN
C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C	ZINC000848960289	642580506	/nfs/dbraw/zinc/58/05/06/642580506.db2.gz	ACXSDMCGEJUVOG-UHFFFAOYSA-N	0	1	386.499	0.447	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(OC)n1	ZINC000848960568	642582111	/nfs/dbraw/zinc/58/21/11/642582111.db2.gz	JKQILMIQNNDRDX-UHFFFAOYSA-N	0	1	390.487	0.290	20	30		GCEDMN
C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1)C(C)(C)C	ZINC000848961968	642587641	/nfs/dbraw/zinc/58/76/41/642587641.db2.gz	GKQZNKSMLLKKQY-LBPRGKRZSA-N	0	1	376.504	0.519	20	30		GCEDMN
C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1)C(C)C	ZINC000848963126	642592601	/nfs/dbraw/zinc/59/26/01/642592601.db2.gz	KBBKJFABJPGVOS-NSHDSACASA-N	0	1	394.906	0.839	20	30		GCEDMN
C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848963604	642594901	/nfs/dbraw/zinc/59/49/01/642594901.db2.gz	WOLUHTIEQKWWMZ-JTQLQIEISA-N	0	1	380.879	0.593	20	30		GCEDMN
N#CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cncc(Cl)n2)CC1	ZINC000848964487	642599499	/nfs/dbraw/zinc/59/94/99/642599499.db2.gz	STVVUXCGUAKSGN-UHFFFAOYSA-N	0	1	393.878	0.485	20	30		GCEDMN
C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848966533	642607960	/nfs/dbraw/zinc/60/79/60/642607960.db2.gz	SOFSCQZWNNRXNN-VIFPVBQESA-N	0	1	381.867	0.483	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cnc(Cl)cn1	ZINC000848969849	642621592	/nfs/dbraw/zinc/62/15/92/642621592.db2.gz	CRUNOPVSUIGMEI-UHFFFAOYSA-N	0	1	394.906	0.937	20	30		GCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000662167081	1192251305	/nfs/dbraw/zinc/25/13/05/1192251305.db2.gz	RMFVZBXJBSXBOE-ZIAGYGMSSA-N	0	1	383.470	0.171	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccn[nH]1	ZINC000278856631	1192256381	/nfs/dbraw/zinc/25/63/81/1192256381.db2.gz	WYRXCRNWDQCPTD-KPPPBICDSA-N	0	1	376.413	0.767	20	30		GCEDMN
COc1cccc([C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N(C)C)c1	ZINC000585688058	1192369909	/nfs/dbraw/zinc/36/99/09/1192369909.db2.gz	VGEHEISWYLUHHF-GOSISDBHSA-N	0	1	387.484	0.518	20	30		GCEDMN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(N)=O	ZINC000279216736	1192487480	/nfs/dbraw/zinc/48/74/80/1192487480.db2.gz	MVODQKZOEYFUGT-CQSZACIVSA-N	0	1	388.472	0.509	20	30		GCEDMN
C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000246904479	1184518012	/nfs/dbraw/zinc/51/80/12/1184518012.db2.gz	MLTUXWNQAQJHMV-OALUTQOASA-N	0	1	381.480	0.902	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1	ZINC000430371971	1184622548	/nfs/dbraw/zinc/62/25/48/1184622548.db2.gz	RAOAQNJZKCORCT-SQNIBIBYSA-N	0	1	379.501	0.655	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1	ZINC000970656048	1184932342	/nfs/dbraw/zinc/93/23/42/1184932342.db2.gz	GRMNSYWBPNCPHV-DFGXFYAUSA-N	0	1	379.501	0.387	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1	ZINC000970657319	1184932849	/nfs/dbraw/zinc/93/28/49/1184932849.db2.gz	PVMNKOQAQFZOJU-ZMMAXQRCSA-N	0	1	393.528	0.778	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1	ZINC000275695954	1184941017	/nfs/dbraw/zinc/94/10/17/1184941017.db2.gz	URKOQGMSQBCAQT-HNNXBMFYSA-N	0	1	393.509	0.515	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1	ZINC000275695962	1184941160	/nfs/dbraw/zinc/94/11/60/1184941160.db2.gz	URKOQGMSQBCAQT-OAHLLOKOSA-N	0	1	393.509	0.515	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCCOCC1	ZINC000275794469	1185063682	/nfs/dbraw/zinc/06/36/82/1185063682.db2.gz	HLUYNAQTSLUTAT-CQSZACIVSA-N	0	1	380.470	0.064	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000580157320	1185097945	/nfs/dbraw/zinc/09/79/45/1185097945.db2.gz	QBUKFYGGJUDOKJ-SJORKVTESA-N	0	1	395.481	0.579	20	30		GCEDMN
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1	ZINC000581218908	1185540478	/nfs/dbraw/zinc/54/04/78/1185540478.db2.gz	SHPINSNTCQKEDW-HNNXBMFYSA-N	0	1	388.468	0.456	20	30		GCEDMN
C=CCCN(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000276335130	1185742230	/nfs/dbraw/zinc/74/22/30/1185742230.db2.gz	BQILUCSKSZQYDK-UHFFFAOYSA-N	0	1	381.498	0.832	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C)C(=O)NCc1ccco1)c1ccn[nH]1	ZINC000276538853	1185876319	/nfs/dbraw/zinc/87/63/19/1185876319.db2.gz	FZHUWQGAQUTLQR-RUCHNRDCSA-N	0	1	391.384	0.108	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)NCc1ccco1)c1ccn[nH]1	ZINC000276538855	1185876810	/nfs/dbraw/zinc/87/68/10/1185876810.db2.gz	FZHUWQGAQUTLQR-WKOREQJTSA-N	0	1	391.384	0.108	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CCC(=O)OC)CC(C)C)c1cc[nH]n1	ZINC000276551406	1185888285	/nfs/dbraw/zinc/88/82/85/1185888285.db2.gz	HSXWWCMHBGBHGI-CAPFRKAQSA-N	0	1	382.417	0.741	20	30		GCEDMN
C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1	ZINC000891508397	1185898733	/nfs/dbraw/zinc/89/87/33/1185898733.db2.gz	LIXXIKZJLAOBBG-AWEZNQCLSA-N	0	1	399.542	0.146	20	30		GCEDMN
C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCC(=O)N(CCC#N)CCC#N	ZINC000728365442	1185912363	/nfs/dbraw/zinc/91/23/63/1185912363.db2.gz	LXNQYNSNFMRMEG-ZDUSSCGKSA-N	0	1	396.407	0.880	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000121476418	1185923460	/nfs/dbraw/zinc/92/34/60/1185923460.db2.gz	VKFGYMAEHDUQGD-UHFFFAOYSA-N	0	1	385.472	0.665	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccn[nH]1	ZINC000276610534	1185929997	/nfs/dbraw/zinc/92/99/97/1185929997.db2.gz	PNJYHVQHMNPVDE-UBJVEFMGSA-N	0	1	399.407	0.615	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(OCCOC)CC1)c1cc[nH]n1	ZINC000276633991	1185931331	/nfs/dbraw/zinc/93/13/31/1185931331.db2.gz	TWCPVUHLWIUGFU-CAPFRKAQSA-N	0	1	382.417	0.348	20	30		GCEDMN
COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H]3C[C@H](OC)CN3C)C2)cc1	ZINC000328980313	1186075904	/nfs/dbraw/zinc/07/59/04/1186075904.db2.gz	RJDMOIXZDMIDRU-HOCLYGCPSA-N	0	1	383.470	0.744	20	30		GCEDMN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCCN3CCC[C@H]3C(N)=O)C2)n1	ZINC000471955220	1186161924	/nfs/dbraw/zinc/16/19/24/1186161924.db2.gz	WSBQGYCJQFMUFY-ROUUACIJSA-N	0	1	398.511	0.934	20	30		GCEDMN
CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1	ZINC001691367695	1186195181	/nfs/dbraw/zinc/19/51/81/1186195181.db2.gz	GPZRBUKJEMDVFB-CQSZACIVSA-N	0	1	397.439	0.535	20	30		GCEDMN
COCCN1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000610806159	1186227311	/nfs/dbraw/zinc/22/73/11/1186227311.db2.gz	VCEJWNCEMLRVCC-GOEBONIOSA-N	0	1	394.497	0.452	20	30		GCEDMN
C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)C[C@H]32)nn1	ZINC000972221766	1186553528	/nfs/dbraw/zinc/55/35/28/1186553528.db2.gz	HNBOPNZFOHUYAE-VMUDFCTBSA-N	0	1	381.440	0.664	20	30		GCEDMN
Cn1c2ncc(S(=O)(=O)Nc3cccc(OCC#N)c3)cc2c(=O)[nH]c1=O	ZINC000728506016	1186621904	/nfs/dbraw/zinc/62/19/04/1186621904.db2.gz	YWJTVZIORURPNA-UHFFFAOYSA-N	0	1	387.377	0.737	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccn[nH]1	ZINC000277863620	1186654918	/nfs/dbraw/zinc/65/49/18/1186654918.db2.gz	BEBCAKHGIVECJJ-GMDWALMLSA-N	0	1	393.444	0.457	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCC(=O)NC1CCCCC1)c1ccn[nH]1	ZINC000277867448	1186655158	/nfs/dbraw/zinc/65/51/58/1186655158.db2.gz	ARZCMCIPLHVOPW-HAVVHWLPSA-N	0	1	393.444	0.649	20	30		GCEDMN
CCCN1CCCN(C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)CC1=O	ZINC000277912924	1186687192	/nfs/dbraw/zinc/68/71/92/1186687192.db2.gz	BBSQFMSPVBTNQJ-CAPFRKAQSA-N	0	1	379.417	0.164	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cn2cc(C)ccc2n1)c1ccn[nH]1	ZINC000277970777	1186728817	/nfs/dbraw/zinc/72/88/17/1186728817.db2.gz	ILVWYOUKHLYSRN-HAVVHWLPSA-N	0	1	384.396	0.966	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1)c1ccn[nH]1	ZINC000277974164	1186729779	/nfs/dbraw/zinc/72/97/79/1186729779.db2.gz	LRYSIXOXQPAPMM-FCWIIXRDSA-N	0	1	398.485	0.890	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1ccn[nH]1	ZINC000277974170	1186729823	/nfs/dbraw/zinc/72/98/23/1186729823.db2.gz	LRYSIXOXQPAPMM-LYPQSYOQSA-N	0	1	398.485	0.890	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CSC[C@@H]1C(=O)N(C)CC)c1cc[nH]n1	ZINC000277986419	1186734572	/nfs/dbraw/zinc/73/45/72/1186734572.db2.gz	JLEZVNZFBSYHMV-WOVJWYHUSA-N	0	1	397.457	0.073	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CC(N)=O)Cc1ccccc1)c1cc[nH]n1	ZINC000277998240	1186739685	/nfs/dbraw/zinc/73/96/85/1186739685.db2.gz	OAEDTMORZIWVLK-OQKWZONESA-N	0	1	387.396	0.208	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccn[nH]1	ZINC000278084471	1186772442	/nfs/dbraw/zinc/77/24/42/1186772442.db2.gz	XLHCEJKKYFMSOH-GINCOOJBSA-N	0	1	379.417	0.209	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)c1ccn[nH]1	ZINC000278084552	1186772801	/nfs/dbraw/zinc/77/28/01/1186772801.db2.gz	XMVZZKOQARYYKE-GMDWALMLSA-N	0	1	393.444	0.599	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1N=NC(=S)N1C1CC1)c1ccn[nH]1	ZINC000278086804	1186773950	/nfs/dbraw/zinc/77/39/50/1186773950.db2.gz	XRNNRRNASXWJII-FYJGNVAPSA-N	0	1	393.429	0.225	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCC[C@H]1C(=O)OCC)c1cc[nH]n1	ZINC000278125048	1186792058	/nfs/dbraw/zinc/79/20/58/1186792058.db2.gz	MCEIHNGLWGIGGA-YJJAPZNASA-N	0	1	380.401	0.638	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1CCC(NC(C)=O)CC1)c1ccn[nH]1	ZINC000278136636	1186797955	/nfs/dbraw/zinc/79/79/55/1186797955.db2.gz	NAYCVHUEWXSXJA-CJLVFECKSA-N	0	1	379.417	0.257	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)Cc1nccn1C(F)F)c1cc[nH]n1	ZINC000278251577	1186852796	/nfs/dbraw/zinc/85/27/96/1186852796.db2.gz	YZKFNVYCLVJECA-FYJGNVAPSA-N	0	1	384.343	0.944	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CO)c1c(F)cccc1F)c1ccn[nH]1	ZINC000278279137	1186868521	/nfs/dbraw/zinc/86/85/21/1186868521.db2.gz	BBSKSWYOUQMUQM-LPCAMTDXSA-N	0	1	396.350	0.822	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(F)cc1)c1ccn[nH]1	ZINC000278303524	1186880741	/nfs/dbraw/zinc/88/07/41/1186880741.db2.gz	IWDZUKJYIZJESC-USIKMKBCSA-N	0	1	378.360	0.682	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cncnc1N1CCCC1)c1ccn[nH]1	ZINC000278503633	1186961816	/nfs/dbraw/zinc/96/18/16/1186961816.db2.gz	KULMSGNYKWGSFM-HZHRSRAPSA-N	0	1	387.400	0.722	20	30		GCEDMN
CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cccc(C(N)=O)c1	ZINC000278499936	1186961998	/nfs/dbraw/zinc/96/19/98/1186961998.db2.gz	COCKGWIEZCPHKL-UHFFFAOYSA-N	0	1	391.409	0.873	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CC)C[C@H](O)C(F)(F)F)c1cc[nH]n1	ZINC000278627207	1186999056	/nfs/dbraw/zinc/99/90/56/1186999056.db2.gz	MENCYKCSJHPWLJ-WBWSGGQMSA-N	0	1	380.323	0.465	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CC)[C@H](O)C(F)(F)F)c1ccn[nH]1	ZINC000278654687	1187008895	/nfs/dbraw/zinc/00/88/95/1187008895.db2.gz	NSXVUZHZHFKZAW-TYROQPDCSA-N	0	1	380.323	0.512	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4OCCO[C@H]4C)C[C@H]32)CC1	ZINC000972601518	1187020898	/nfs/dbraw/zinc/02/08/98/1187020898.db2.gz	LQWBHKICJIPVNK-AITUJVMLSA-N	0	1	389.496	0.195	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](C)C[C@H]1C(=O)OC)c1cc[nH]n1	ZINC000278744495	1187043982	/nfs/dbraw/zinc/04/39/82/1187043982.db2.gz	STNVSHJAARDJFN-HIISLPQUSA-N	0	1	380.401	0.494	20	30		GCEDMN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCC[C@@H](n2cncn2)C1	ZINC000329799741	1187054576	/nfs/dbraw/zinc/05/45/76/1187054576.db2.gz	HSMZFMWDRDFKHQ-QGZVFWFLSA-N	0	1	389.504	0.773	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)CC1	ZINC001023942021	1187181920	/nfs/dbraw/zinc/18/19/20/1187181920.db2.gz	LBTRULJXYJUVPH-MANSERQUSA-N	0	1	389.496	0.001	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1O	ZINC001023958536	1187192828	/nfs/dbraw/zinc/19/28/28/1187192828.db2.gz	OXEKJUVNSJGNHB-TUVASFSCSA-N	0	1	376.457	0.356	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CC1	ZINC000728608591	1187440311	/nfs/dbraw/zinc/44/03/11/1187440311.db2.gz	JECZVUUAFWSYOD-UHFFFAOYSA-N	0	1	385.449	0.131	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3cncn3c2)C1	ZINC001024650133	1187558750	/nfs/dbraw/zinc/55/87/50/1187558750.db2.gz	NIAQLKGXSMHWCP-MLHJIOFPSA-N	0	1	384.436	0.617	20	30		GCEDMN
COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000413914620	1187583235	/nfs/dbraw/zinc/58/32/35/1187583235.db2.gz	GTPHNZTYOZEYHX-OAHLLOKOSA-N	0	1	382.424	0.503	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1	ZINC001024797716	1187625986	/nfs/dbraw/zinc/62/59/86/1187625986.db2.gz	KWCLBPLLSZFWBC-NZPGVSJUSA-N	0	1	388.468	0.430	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)N2CCC(C#N)CC2)CC1	ZINC000589022663	1187634236	/nfs/dbraw/zinc/63/42/36/1187634236.db2.gz	NEGAUJPEZNXDOV-UHFFFAOYSA-N	0	1	391.516	0.491	20	30		GCEDMN
C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CC(C)(C)O	ZINC000580865653	1187703359	/nfs/dbraw/zinc/70/33/59/1187703359.db2.gz	XMGSWHZIZLJBLH-CQSZACIVSA-N	0	1	394.497	0.140	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2cccc(C#N)n2)CC1	ZINC000563095952	1187745697	/nfs/dbraw/zinc/74/56/97/1187745697.db2.gz	HCRMNGUOFPKXET-UHFFFAOYSA-N	0	1	379.424	0.355	20	30		GCEDMN
C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414210385	1187763018	/nfs/dbraw/zinc/76/30/18/1187763018.db2.gz	MSCREKFSAGQZMX-LLVKDONJSA-N	0	1	377.426	0.749	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1	ZINC000249427353	1187824792	/nfs/dbraw/zinc/82/47/92/1187824792.db2.gz	YJRKOALZVHTYBB-QZTJIDSGSA-N	0	1	379.549	0.456	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)[C@H](C)C2)CC1	ZINC000249427353	1187824794	/nfs/dbraw/zinc/82/47/94/1187824794.db2.gz	YJRKOALZVHTYBB-QZTJIDSGSA-N	0	1	379.549	0.456	20	30		GCEDMN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c(F)c1	ZINC000415323980	1188033596	/nfs/dbraw/zinc/03/35/96/1188033596.db2.gz	DRJANOSDYQDLIG-CQSZACIVSA-N	0	1	387.415	0.306	20	30		GCEDMN
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1	ZINC000415322167	1188036927	/nfs/dbraw/zinc/03/69/27/1188036927.db2.gz	BPISFGVGGNPCTE-MRXNPFEDSA-N	0	1	383.452	0.476	20	30		GCEDMN
N#Cc1cnn(-c2ccc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)cc2)c1N	ZINC000377567366	1188076199	/nfs/dbraw/zinc/07/61/99/1188076199.db2.gz	OEPHSWUGWXNTFL-ROUUACIJSA-N	0	1	380.452	0.997	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1	ZINC000415578129	1188112144	/nfs/dbraw/zinc/11/21/44/1188112144.db2.gz	ZJEPQBLPARBTSH-KGLIPLIRSA-N	0	1	394.497	0.640	20	30		GCEDMN
COc1ccc(CN2CCCN(C(=O)Cn3cncc(C#N)c3=O)CC2)cc1	ZINC000377873803	1188161608	/nfs/dbraw/zinc/16/16/08/1188161608.db2.gz	LARLJKITMZDDAK-UHFFFAOYSA-N	0	1	381.436	0.858	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(C)(C)C2)cc1	ZINC000415824869	1189372310	/nfs/dbraw/zinc/37/23/10/1189372310.db2.gz	XGXWVHDQQCBHNK-UHFFFAOYSA-N	0	1	394.497	0.642	20	30		GCEDMN
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2(C#N)CCN(C)CC2)c1	ZINC000613717777	1189556834	/nfs/dbraw/zinc/55/68/34/1189556834.db2.gz	UGSODQYDLGYXIK-UHFFFAOYSA-N	0	1	392.481	0.662	20	30		GCEDMN
COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000066833007	1189570249	/nfs/dbraw/zinc/57/02/49/1189570249.db2.gz	ULLAPJGQPCXSBA-CQSZACIVSA-N	0	1	375.429	0.388	20	30		GCEDMN
CCN(CC)CCN(C(=O)Cc1noc(C)c1C#N)[C@H]1CCS(=O)(=O)C1	ZINC000500349316	1189785918	/nfs/dbraw/zinc/78/59/18/1189785918.db2.gz	PVBMEQNFOXYCDN-AWEZNQCLSA-N	0	1	382.486	0.755	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1	ZINC000509782588	1193755385	/nfs/dbraw/zinc/75/53/85/1193755385.db2.gz	NJMWPHZVYNZHFF-OAHLLOKOSA-N	0	1	378.458	0.785	20	30		GCEDMN
C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(C#N)cc1	ZINC000419296939	1193792086	/nfs/dbraw/zinc/79/20/86/1193792086.db2.gz	YHADZLSOXKQOSS-MAUKXSAKSA-N	0	1	397.479	0.406	20	30		GCEDMN
C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000280708884	1194015396	/nfs/dbraw/zinc/01/53/96/1194015396.db2.gz	JBFJKOGCWJVTRP-YLJYHZDGSA-N	0	1	387.459	0.732	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1cccc(F)c1)c1ccn[nH]1	ZINC000276625964	1194760415	/nfs/dbraw/zinc/76/04/15/1194760415.db2.gz	RUVKJSVUNCRDBE-TYIKUYDASA-N	0	1	378.360	0.682	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@@H](C)N1	ZINC000423555717	1194766365	/nfs/dbraw/zinc/76/63/65/1194766365.db2.gz	GGNWTQABLOVYOS-CWMDILNDSA-N	0	1	381.436	0.067	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C)NC[C@H]3C)CC2)c1C#N	ZINC000423651369	1194779336	/nfs/dbraw/zinc/77/93/36/1194779336.db2.gz	MAJKIRSCTJZBIL-NWDGAFQWSA-N	0	1	376.486	0.181	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000423740550	1194790890	/nfs/dbraw/zinc/79/08/90/1194790890.db2.gz	JEAYPDOYWWFLBK-INIZCTEOSA-N	0	1	387.459	0.946	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000423746844	1194791586	/nfs/dbraw/zinc/79/15/86/1194791586.db2.gz	PQWRDWQATJGJFS-RBUKOAKNSA-N	0	1	383.496	0.823	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000423734086	1194792143	/nfs/dbraw/zinc/79/21/43/1194792143.db2.gz	CNPMXQDPEVXJCL-HNNXBMFYSA-N	0	1	387.459	0.946	20	30		GCEDMN
CCC(CC)(NC(=O)C1CN(C[C@@H](O)COc2ccc(C#N)cc2)C1)C(N)=O	ZINC000504664643	1194803060	/nfs/dbraw/zinc/80/30/60/1194803060.db2.gz	ATZRVSKRUPTMHR-MRXNPFEDSA-N	0	1	388.468	0.390	20	30		GCEDMN
C=CCSc1ccccc1NC(=O)CN1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1	ZINC000435627548	1194950400	/nfs/dbraw/zinc/95/04/00/1194950400.db2.gz	MQXKKHWOYBMIHR-LSDHHAIUSA-N	0	1	379.482	0.965	20	30		GCEDMN
C=CCc1cc(C(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)cc(OC)c1OC	ZINC000435704443	1194958121	/nfs/dbraw/zinc/95/81/21/1194958121.db2.gz	JMFAIDXISFUCTO-HUUCEWRRSA-N	0	1	378.425	0.634	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1OCC	ZINC000983348029	1194972481	/nfs/dbraw/zinc/97/24/81/1194972481.db2.gz	PCBQWNVFLHDFKS-FSZRXZPDSA-N	0	1	391.472	0.308	20	30		GCEDMN
COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000436922804	1195047565	/nfs/dbraw/zinc/04/75/65/1195047565.db2.gz	QCRMLYXLYIGQNY-UHFFFAOYSA-N	0	1	381.410	0.315	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1CC2(C1)CCN(Cc1cc(C#N)n(C)c1)C2	ZINC001270179861	1195077467	/nfs/dbraw/zinc/07/74/67/1195077467.db2.gz	PVUISRBSCDDXMR-INIZCTEOSA-N	0	1	375.498	0.366	20	30		GCEDMN
CC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270293912	1195180933	/nfs/dbraw/zinc/18/09/33/1195180933.db2.gz	QNOVQWKQPCRZOK-JSGCOSHPSA-N	0	1	375.450	0.848	20	30		GCEDMN
Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1	ZINC000517786716	1195218300	/nfs/dbraw/zinc/21/83/00/1195218300.db2.gz	DEQROJNUORCHKK-UHFFFAOYSA-N	0	1	378.396	0.858	20	30		GCEDMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCO[C@@H](C#N)C2)c([N+](=O)[O-])c1	ZINC000519273193	1195387895	/nfs/dbraw/zinc/38/78/95/1195387895.db2.gz	MSXUWJDPAHTAJJ-LBPRGKRZSA-N	0	1	383.430	0.163	20	30		GCEDMN
CNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1	ZINC000427314476	1195527129	/nfs/dbraw/zinc/52/71/29/1195527129.db2.gz	LXSDOULYLBVIAP-UHFFFAOYSA-N	0	1	387.421	0.538	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1	ZINC000520398875	1195630245	/nfs/dbraw/zinc/63/02/45/1195630245.db2.gz	GVGBIIONXBPLFH-OAHLLOKOSA-N	0	1	397.522	0.878	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](c4nccn4C)C3)CC2)o1	ZINC000520423752	1195632514	/nfs/dbraw/zinc/63/25/14/1195632514.db2.gz	JSNPKQQMUGZXPZ-OAHLLOKOSA-N	0	1	383.456	0.726	20	30		GCEDMN
C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)CN1CCN(C)CC1	ZINC000328617276	1195656942	/nfs/dbraw/zinc/65/69/42/1195656942.db2.gz	TZPXGDBBQZRGMZ-IXDOHACOSA-N	0	1	386.562	0.826	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC(CN3CCOCC3)CC2)C1	ZINC000328804665	1195665547	/nfs/dbraw/zinc/66/55/47/1195665547.db2.gz	KKEKVDOXVXZFCQ-MRXNPFEDSA-N	0	1	388.534	0.369	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000330664972	1195700110	/nfs/dbraw/zinc/70/01/10/1195700110.db2.gz	ZGXCUEIFLRDCMR-CVEARBPZSA-N	0	1	389.566	0.330	20	30		GCEDMN
CC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCN1C[C@@H](C)O	ZINC000330662947	1195700266	/nfs/dbraw/zinc/70/02/66/1195700266.db2.gz	WSIBWOUCONFULW-UKRRQHHQSA-N	0	1	384.502	0.917	20	30		GCEDMN
CCN(C1CCN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CC1)S(C)(=O)=O	ZINC000330675030	1195703254	/nfs/dbraw/zinc/70/32/54/1195703254.db2.gz	RKEPMWRWCSGXEU-HNNXBMFYSA-N	0	1	389.566	0.282	20	30		GCEDMN
C[C@H](NC(=O)NC[C@H]1CN(C)CCN1C)c1ccccc1NS(C)(=O)=O	ZINC000330762763	1195706295	/nfs/dbraw/zinc/70/62/95/1195706295.db2.gz	PJPQFJMOPCGWPZ-KBPBESRZSA-N	0	1	383.518	0.869	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1	ZINC000331027025	1195715935	/nfs/dbraw/zinc/71/59/35/1195715935.db2.gz	VPXDIJJXEDUKCX-HNNXBMFYSA-N	0	1	384.502	0.993	20	30		GCEDMN
CC(=O)N[C@@H](C)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000331101094	1195719201	/nfs/dbraw/zinc/71/92/01/1195719201.db2.gz	DEOKDZYKWHZURH-LPHOPBHVSA-N	0	1	377.533	0.915	20	30		GCEDMN
CC(=O)N[C@H](C)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000331101093	1195719267	/nfs/dbraw/zinc/71/92/67/1195719267.db2.gz	DEOKDZYKWHZURH-APWZRJJASA-N	0	1	377.533	0.915	20	30		GCEDMN
COCCN(C)CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000536440870	1195774070	/nfs/dbraw/zinc/77/40/70/1195774070.db2.gz	YVTXKRDTANJMML-UHFFFAOYSA-N	0	1	398.467	0.994	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442794846	1196004416	/nfs/dbraw/zinc/00/44/16/1196004416.db2.gz	SOCZOGOGOGZLOX-UKRRQHHQSA-N	0	1	396.488	0.555	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442794843	1196004721	/nfs/dbraw/zinc/00/47/21/1196004721.db2.gz	SOCZOGOGOGZLOX-HIFRSBDPSA-N	0	1	396.488	0.555	20	30		GCEDMN
COCCN1CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1	ZINC000521756985	1196015975	/nfs/dbraw/zinc/01/59/75/1196015975.db2.gz	UFEYNOXSJGRBBU-OAHLLOKOSA-N	0	1	380.470	0.247	20	30		GCEDMN
CC(=O)N1CCC[C@@](O)(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1	ZINC000329059401	1196160558	/nfs/dbraw/zinc/16/05/58/1196160558.db2.gz	UIXHYFAFRWLSAR-IBGZPJMESA-N	0	1	375.473	0.663	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)C1=O	ZINC000329153454	1196169806	/nfs/dbraw/zinc/16/98/06/1196169806.db2.gz	BQBKUTDMHZIWRJ-INIZCTEOSA-N	0	1	384.436	0.912	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CCn3nc4ccccn4c3=O)CC2)C1=O	ZINC000329176981	1196172287	/nfs/dbraw/zinc/17/22/87/1196172287.db2.gz	MQULKYCLUSOCSR-HNNXBMFYSA-N	0	1	386.456	0.538	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)C1=O	ZINC000329182654	1196173377	/nfs/dbraw/zinc/17/33/77/1196173377.db2.gz	OPHRUTFPBQXPTM-LIRRHRJNSA-N	0	1	391.472	0.563	20	30		GCEDMN
CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCCn2cccn2)CC1	ZINC000329305234	1196184204	/nfs/dbraw/zinc/18/42/04/1196184204.db2.gz	OSAZTKLOZHCXND-UHFFFAOYSA-N	0	1	398.533	0.924	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1	ZINC000329346414	1196187629	/nfs/dbraw/zinc/18/76/29/1196187629.db2.gz	CYZPIAPBZZXSKV-CQSZACIVSA-N	0	1	399.492	0.937	20	30		GCEDMN
CCC1(CC)NC(=O)N(CC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)C1=O	ZINC000329403812	1196192988	/nfs/dbraw/zinc/19/29/88/1196192988.db2.gz	CGVNZJJLOPGRNK-AWEZNQCLSA-N	0	1	393.488	0.953	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)[C@H](C)C1	ZINC000329530265	1196203876	/nfs/dbraw/zinc/20/38/76/1196203876.db2.gz	VPKCEXQFQOXMJO-OWCLPIDISA-N	0	1	392.504	0.050	20	30		GCEDMN
O=C(CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1)N[C@@H]1CCS(=O)(=O)C1	ZINC000329591515	1196207635	/nfs/dbraw/zinc/20/76/35/1196207635.db2.gz	YZHAUEZZZDIPBC-CYBMUJFWSA-N	0	1	395.485	0.189	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1	ZINC000329648429	1196215419	/nfs/dbraw/zinc/21/54/19/1196215419.db2.gz	AXSIODORPYVBOZ-RBUKOAKNSA-N	0	1	387.528	0.970	20	30		GCEDMN
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CCCN(c3nccn(C)c3=O)C1)CC2	ZINC000329716860	1196226537	/nfs/dbraw/zinc/22/65/37/1196226537.db2.gz	WZEJTLSPGRYWFZ-ZIAGYGMSSA-N	0	1	386.460	0.168	20	30		GCEDMN
Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCN(c3nccn(C)c3=O)C1)CC2	ZINC000329716860	1196226540	/nfs/dbraw/zinc/22/65/40/1196226540.db2.gz	WZEJTLSPGRYWFZ-ZIAGYGMSSA-N	0	1	386.460	0.168	20	30		GCEDMN
COCCn1nc(C)c(NC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)c1C	ZINC000329858095	1196234594	/nfs/dbraw/zinc/23/45/94/1196234594.db2.gz	VWFNTVQRUIMATQ-UHFFFAOYSA-N	0	1	376.465	0.936	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)cc1	ZINC000569941452	1196234728	/nfs/dbraw/zinc/23/47/28/1196234728.db2.gz	PTJBHAAUFGLMJS-MNOVXSKESA-N	0	1	398.470	0.377	20	30		GCEDMN
CC(C)[N@H+]1CCO[C@H](CN2CCN(C([O-])=[NH+][C@@H]3CCc4c[nH]nc4C3)CC2)C1	ZINC000329864040	1196235015	/nfs/dbraw/zinc/23/50/15/1196235015.db2.gz	SKAFCXYISWCLKQ-QZTJIDSGSA-N	0	1	390.532	0.908	20	30		GCEDMN
CCOC1CC(C/N=C(/[O-])c2cnc3n(c2=O)CCS3)([NH+]2CCOCC2)C1	ZINC000329907658	1196237842	/nfs/dbraw/zinc/23/78/42/1196237842.db2.gz	LCMRYEXTTXOIOS-UHFFFAOYSA-N	0	1	394.497	0.924	20	30		GCEDMN
O=C(CN1CCn2c(=O)[nH]nc2C1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000330006566	1196245822	/nfs/dbraw/zinc/24/58/22/1196245822.db2.gz	CWZDWGVSYFSJPU-UHFFFAOYSA-N	0	1	384.440	0.795	20	30		GCEDMN
CN1CCN(CCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1	ZINC000330045490	1196248130	/nfs/dbraw/zinc/24/81/30/1196248130.db2.gz	DIJRFCXHMFUNLM-KRWDZBQOSA-N	0	1	381.477	0.010	20	30		GCEDMN
Cn1cnc2c(c1=O)CCN(C(=O)NCc1cccnc1N1CCN(C)CC1)C2	ZINC000330044789	1196248214	/nfs/dbraw/zinc/24/82/14/1196248214.db2.gz	FWRUBPKUWNLMKZ-UHFFFAOYSA-N	0	1	397.483	0.399	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)O[C@]3(CCCOC3)C1)CC2	ZINC000330277195	1196262793	/nfs/dbraw/zinc/26/27/93/1196262793.db2.gz	NXNAEHLWCMXFCU-PMUMKWKESA-N	0	1	379.461	0.923	20	30		GCEDMN
C=CCN1CC[C@@H](N(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1=O	ZINC000281195558	1196283256	/nfs/dbraw/zinc/28/32/56/1196283256.db2.gz	CDCBXAPAMHGAKY-CQSZACIVSA-N	0	1	391.472	0.381	20	30		GCEDMN
C=CCN1CC[C@H](N(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1=O	ZINC000281195553	1196283387	/nfs/dbraw/zinc/28/33/87/1196283387.db2.gz	CDCBXAPAMHGAKY-AWEZNQCLSA-N	0	1	391.472	0.381	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000281470505	1196299004	/nfs/dbraw/zinc/29/90/04/1196299004.db2.gz	JCLNNXPWWNWWGP-UHFFFAOYSA-N	0	1	398.460	0.108	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NC3CCOCC3)C[C@H]2C1	ZINC001088112538	1196364861	/nfs/dbraw/zinc/36/48/61/1196364861.db2.gz	KYMGOMASFSWKBK-JFRXWTBNSA-N	0	1	391.512	0.653	20	30		GCEDMN
COC(=O)C[C@H]1CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000441114866	1196676079	/nfs/dbraw/zinc/67/60/79/1196676079.db2.gz	IMTMNUPCERNRCV-CQSZACIVSA-N	0	1	375.429	0.531	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448953375	1196841218	/nfs/dbraw/zinc/84/12/18/1196841218.db2.gz	IACYHXIKECVEMF-GOEBONIOSA-N	0	1	389.887	0.927	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448953379	1196841556	/nfs/dbraw/zinc/84/15/56/1196841556.db2.gz	IACYHXIKECVEMF-ZBFHGGJFSA-N	0	1	389.887	0.927	20	30		GCEDMN
N#Cc1ccccc1OC[C@@H](O)CN1CCCN(CC(=O)N2CCCC2)CC1	ZINC000528354771	1196852628	/nfs/dbraw/zinc/85/26/28/1196852628.db2.gz	ZULGUEFVLUTCGX-IBGZPJMESA-N	0	1	386.496	0.928	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@]2(CO)COc3ccccc3C2)CC1	ZINC000528645724	1196874261	/nfs/dbraw/zinc/87/42/61/1196874261.db2.gz	NUYIFMIDVHLJIT-RXVVDRJESA-N	0	1	386.496	0.635	20	30		GCEDMN
CCN(C)C(=O)[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000451314029	1196986710	/nfs/dbraw/zinc/98/67/10/1196986710.db2.gz	OKBRXDVZIJTCRF-KRWDZBQOSA-N	0	1	390.488	0.596	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C#N)CCN(C)CC1	ZINC000531966211	1197105031	/nfs/dbraw/zinc/10/50/31/1197105031.db2.gz	OLDNHXONWZQQIB-ZDUSSCGKSA-N	0	1	375.454	0.329	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)CC1	ZINC000986225168	1197160883	/nfs/dbraw/zinc/16/08/83/1197160883.db2.gz	SIGKWPMYUKSQKR-GHDARCQNSA-N	0	1	385.508	0.675	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1	ZINC000189878988	1197238379	/nfs/dbraw/zinc/23/83/79/1197238379.db2.gz	YJRKOALZVHTYBB-ROUUACIJSA-N	0	1	379.549	0.456	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)[C@@H](C)C2)CC1	ZINC000189878988	1197238385	/nfs/dbraw/zinc/23/83/85/1197238385.db2.gz	YJRKOALZVHTYBB-ROUUACIJSA-N	0	1	379.549	0.456	20	30		GCEDMN
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)c1nc(-c2cc(F)cc(C#N)c2)no1	ZINC001211968790	1197394744	/nfs/dbraw/zinc/39/47/44/1197394744.db2.gz	BHURJRDHBFKGDM-HZMBPMFUSA-N	0	1	386.387	0.874	20	30		GCEDMN
C=CCn1cc(C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)nn1	ZINC000614866112	1197450074	/nfs/dbraw/zinc/45/00/74/1197450074.db2.gz	PIRDMTQYWXGLCU-UHFFFAOYSA-N	0	1	396.451	0.764	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000729712853	1197478189	/nfs/dbraw/zinc/47/81/89/1197478189.db2.gz	YNVZVVCNEMBLIV-LBPRGKRZSA-N	0	1	384.396	0.794	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H]2C)CC1	ZINC000988736573	1197496814	/nfs/dbraw/zinc/49/68/14/1197496814.db2.gz	NZEPMXZAJYYGIG-FZCLSBEQSA-N	0	1	377.485	0.241	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)NCc1ccc(N2CCN(C)CC2)nc1	ZINC000272889025	1197564884	/nfs/dbraw/zinc/56/48/84/1197564884.db2.gz	XIQBUVCKPSKYOT-UHFFFAOYSA-N	0	1	381.502	0.233	20	30		GCEDMN
CC(C)[C@@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(N)=O	ZINC000459479362	1197581590	/nfs/dbraw/zinc/58/15/90/1197581590.db2.gz	KLTATZYTTPILEN-RDTXWAMCSA-N	0	1	377.514	0.947	20	30		GCEDMN
N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCc4n[nH]nc42)C3)[nH]1	ZINC000999805568	1198973620	/nfs/dbraw/zinc/97/36/20/1198973620.db2.gz	DSAISMOKAJCLLX-MPTQWLOMSA-N	0	1	379.424	0.986	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)c[nH]1	ZINC000999807535	1198974748	/nfs/dbraw/zinc/97/47/48/1198974748.db2.gz	MUMVNWMJBGQUQC-VRKREXBASA-N	0	1	379.424	0.986	20	30		GCEDMN
CCOC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[nH]1	ZINC000542833037	1199070709	/nfs/dbraw/zinc/07/07/09/1199070709.db2.gz	NDJANNGISXVFHQ-SNVBAGLBSA-N	0	1	391.409	0.764	20	30		GCEDMN
CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000499495734	1199168805	/nfs/dbraw/zinc/16/88/05/1199168805.db2.gz	RCUGXSWXBMLILC-BBWFWOEESA-N	0	1	379.486	0.475	20	30		GCEDMN
C=CCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C3)nn1	ZINC001003697617	1199631915	/nfs/dbraw/zinc/63/19/15/1199631915.db2.gz	DXMGIVGJNRGWSH-LYUDMSCLSA-N	0	1	381.440	0.853	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC2CC2)CC1	ZINC000156093461	1199884386	/nfs/dbraw/zinc/88/43/86/1199884386.db2.gz	CICBMGCDCIRIMJ-AWEZNQCLSA-N	0	1	376.482	0.779	20	30		GCEDMN
Cn1cc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(=O)n(C)c1=O	ZINC000131923995	1199949602	/nfs/dbraw/zinc/94/96/02/1199949602.db2.gz	BQMQVYVBAPBGID-UHFFFAOYSA-N	0	1	388.327	0.775	20	30		GCEDMN
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000509168714	1199975496	/nfs/dbraw/zinc/97/54/96/1199975496.db2.gz	WKXLYBSXVGGBSE-AWEZNQCLSA-N	0	1	387.550	0.681	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1OC	ZINC000946819015	1200174566	/nfs/dbraw/zinc/17/45/66/1200174566.db2.gz	UGMWUHVKQYFZQJ-ZJPYXAASSA-N	0	1	379.501	0.651	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1OC	ZINC000946820093	1200269429	/nfs/dbraw/zinc/26/94/29/1200269429.db2.gz	ONLZVDNXKGWDJR-ZJPYXAASSA-N	0	1	384.436	0.881	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1OC	ZINC000946820469	1200270451	/nfs/dbraw/zinc/27/04/51/1200270451.db2.gz	XZESZUQTCPJFSG-MXASKKJJSA-N	0	1	376.457	0.909	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000349515389	1200646772	/nfs/dbraw/zinc/64/67/72/1200646772.db2.gz	HIIQTCGGNVXJFB-CYBMUJFWSA-N	0	1	399.498	0.887	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccncc3)n2)c1	ZINC000566650853	1200709516	/nfs/dbraw/zinc/70/95/16/1200709516.db2.gz	SVSDWJVCANNJDD-UHFFFAOYSA-N	0	1	382.405	1.056	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)CN1CCN(C)CC1	ZINC000546612389	1200971069	/nfs/dbraw/zinc/97/10/69/1200971069.db2.gz	LUNPIDMJIMNEEY-HNNXBMFYSA-N	0	1	382.472	1.205	20	30		GCEDMN
Cc1n[nH]c(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n1	ZINC000440123665	1201023940	/nfs/dbraw/zinc/02/39/40/1201023940.db2.gz	GZEUCYSGFINRHH-UHFFFAOYSA-N	0	1	382.359	0.607	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCCCN1C1CC1	ZINC000582932352	1201098221	/nfs/dbraw/zinc/09/82/21/1201098221.db2.gz	BPNXUHRYHIZDKN-CQSZACIVSA-N	0	1	387.488	0.388	20	30		GCEDMN
C#CCN1CCC[C@@H](NC(=O)c2cc(C(=O)N[C@H]3CCCN(CC#C)C3)n[nH]2)C1	ZINC000923556170	1201113105	/nfs/dbraw/zinc/11/31/05/1201113105.db2.gz	DILNZEAVWQPUNT-CALCHBBNSA-N	0	1	396.495	0.065	20	30		GCEDMN
CCC(C)(C)N1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1	ZINC000594533562	1201123235	/nfs/dbraw/zinc/12/32/35/1201123235.db2.gz	OIXQKLAFIWDTHW-UHFFFAOYSA-N	0	1	389.504	0.587	20	30		GCEDMN
COC(=O)[C@@H]1CC12CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2	ZINC000611371760	1201232995	/nfs/dbraw/zinc/23/29/95/1201232995.db2.gz	CDRYOOYQMUUTOG-IRXDYDNUSA-N	0	1	376.501	0.954	20	30		GCEDMN
COC1CCN(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000611362585	1201234592	/nfs/dbraw/zinc/23/45/92/1201234592.db2.gz	IAOARNHLTKEJSQ-UHFFFAOYSA-N	0	1	376.461	0.675	20	30		GCEDMN
CS(=O)(=O)NCCNC(=S)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000727073961	1201332863	/nfs/dbraw/zinc/33/28/63/1201332863.db2.gz	WMURRWIKKVFRQV-UHFFFAOYSA-N	0	1	395.554	0.490	20	30		GCEDMN
C=C(Br)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C	ZINC001082739447	1201347051	/nfs/dbraw/zinc/34/70/51/1201347051.db2.gz	VKLKJTHTVNHBOE-RUZUBIRVSA-N	0	1	388.306	0.967	20	30		GCEDMN
CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)NCCC#N)c1	ZINC000728106480	1201398551	/nfs/dbraw/zinc/39/85/51/1201398551.db2.gz	XWDIGWYFWYNJKB-UHFFFAOYSA-N	0	1	382.398	0.203	20	30		GCEDMN
C#CCOc1ccc(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1	ZINC000730996204	1201468674	/nfs/dbraw/zinc/46/86/74/1201468674.db2.gz	ICAIKUYKFMLLIV-UHFFFAOYSA-N	0	1	386.389	0.847	20	30		GCEDMN
C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccccc3)CC2)c1=O	ZINC000732408557	1201542372	/nfs/dbraw/zinc/54/23/72/1201542372.db2.gz	NXPYJEOXCNGLID-UHFFFAOYSA-N	0	1	397.479	0.319	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1nc(-c2ccc(F)cc2)n[nH]1	ZINC000732467906	1201545181	/nfs/dbraw/zinc/54/51/81/1201545181.db2.gz	YNVAPBCLOCBRHK-ICFOKQHNSA-N	0	1	399.386	0.936	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1n[nH]c(-c2ccc(F)cc2)n1	ZINC000732467906	1201545185	/nfs/dbraw/zinc/54/51/85/1201545185.db2.gz	YNVAPBCLOCBRHK-ICFOKQHNSA-N	0	1	399.386	0.936	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)N1CCN(c2cc(OC)ccn2)CC1	ZINC000282705710	1201621657	/nfs/dbraw/zinc/62/16/57/1201621657.db2.gz	QNPXVNVWEFDNFA-UHFFFAOYSA-N	0	1	383.474	0.319	20	30		GCEDMN
C[C@H](CC(=O)NCCN1CCSCC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000742665107	1201804439	/nfs/dbraw/zinc/80/44/39/1201804439.db2.gz	BSGKTRZHUBLJQT-CYBMUJFWSA-N	0	1	396.538	0.669	20	30		GCEDMN
C[C@@H]1CN(C(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)CCO1	ZINC000744442801	1201843831	/nfs/dbraw/zinc/84/38/31/1201843831.db2.gz	MSUHQIHPRHCGFZ-CQSZACIVSA-N	0	1	376.457	0.532	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001273426850	1201859425	/nfs/dbraw/zinc/85/94/25/1201859425.db2.gz	CUIBPSNPPPYVSR-JSGCOSHPSA-N	0	1	395.506	0.440	20	30		GCEDMN
CS(=O)(=O)C1CCC([N@@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC1	ZINC001169871443	1201958786	/nfs/dbraw/zinc/95/87/86/1201958786.db2.gz	WLUUIJIAQLWOCB-MCIGGMRASA-N	0	1	390.464	0.358	20	30		GCEDMN
C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC[C@@H]1CCCCO1	ZINC001109175524	1202001081	/nfs/dbraw/zinc/00/10/81/1202001081.db2.gz	OQLVGVHATDQCOB-OWSLCNJRSA-N	0	1	377.485	0.433	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)OCCN(C)Cc2ccc(F)cc2)C1=O	ZINC000769097766	1202044270	/nfs/dbraw/zinc/04/42/70/1202044270.db2.gz	ZKSJSRVEJPFMAQ-UHFFFAOYSA-N	0	1	377.372	0.778	20	30		GCEDMN
C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](CN3CCOCC3)O1)C2	ZINC001109544844	1202077892	/nfs/dbraw/zinc/07/78/92/1202077892.db2.gz	PFFUFQCFUCHUQV-SLHNCBLASA-N	0	1	393.528	0.790	20	30		GCEDMN
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O	ZINC001109597733	1202088721	/nfs/dbraw/zinc/08/87/21/1202088721.db2.gz	VOVULJITIAGVEZ-WCVJEAGWSA-N	0	1	377.485	0.820	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1nnc2ccccn21)c1ccn[nH]1	ZINC000770824569	1202114637	/nfs/dbraw/zinc/11/46/37/1202114637.db2.gz	WQYQMWOCAOQRDE-UHFFFAOYSA-N	0	1	385.384	0.095	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc2c(c1)OCCO2)c1ccn[nH]1	ZINC000770822776	1202114863	/nfs/dbraw/zinc/11/48/63/1202114863.db2.gz	IXWOGTMKIAYUAV-UHFFFAOYSA-N	0	1	388.380	0.781	20	30		GCEDMN
C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1	ZINC001109760674	1202118698	/nfs/dbraw/zinc/11/86/98/1202118698.db2.gz	MBUBLOZAEASQJI-VZEFYGNVSA-N	0	1	376.482	0.717	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)N(C)C	ZINC001109826461	1202130131	/nfs/dbraw/zinc/13/01/31/1202130131.db2.gz	JGMYTPDIHRNUBS-FPSMNIFISA-N	0	1	399.557	0.971	20	30		GCEDMN
COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCN(C)CC2)C1=O	ZINC000771466832	1202144830	/nfs/dbraw/zinc/14/48/30/1202144830.db2.gz	AASBMNZQNYCXKQ-IBGZPJMESA-N	0	1	399.451	0.566	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C)ccc1OC	ZINC000771557697	1202148961	/nfs/dbraw/zinc/14/89/61/1202148961.db2.gz	KQQMRHVGRUSTHW-UHFFFAOYSA-N	0	1	394.453	0.494	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc2c(s1)CCCC2	ZINC000771890682	1202165382	/nfs/dbraw/zinc/16/53/82/1202165382.db2.gz	HOSODRCRMJSHJF-UHFFFAOYSA-N	0	1	396.494	0.727	20	30		GCEDMN
Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)n1CC(C)C	ZINC000771888933	1202166311	/nfs/dbraw/zinc/16/63/11/1202166311.db2.gz	IPECWDFRJLWJHD-UHFFFAOYSA-N	0	1	395.485	0.471	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2c(O)ccc3ccccc32)c(=O)n(C)c1=O	ZINC000771889375	1202166405	/nfs/dbraw/zinc/16/64/05/1202166405.db2.gz	AWWULPBCPFWONU-UHFFFAOYSA-N	0	1	388.405	0.255	20	30		GCEDMN
Cc1cc2cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)oc2cc1C	ZINC000771888819	1202166958	/nfs/dbraw/zinc/16/69/58/1202166958.db2.gz	HIEIIUUOESSLJH-UHFFFAOYSA-N	0	1	390.421	0.759	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CCCC2	ZINC000771890188	1202167873	/nfs/dbraw/zinc/16/78/73/1202167873.db2.gz	OLCJDWSMIAUDHM-UHFFFAOYSA-N	0	1	390.465	0.665	20	30		GCEDMN
CCCOc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771892348	1202168520	/nfs/dbraw/zinc/16/85/20/1202168520.db2.gz	ZKATWRUNNRXQSX-UHFFFAOYSA-N	0	1	394.453	0.575	20	30		GCEDMN
CCCOc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000771897527	1202168985	/nfs/dbraw/zinc/16/89/85/1202168985.db2.gz	PEBWIIQBDCSPFX-UHFFFAOYSA-N	0	1	380.426	0.185	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccccc2C(F)(F)F)c(=O)n(C)c1=O	ZINC000771898509	1202169038	/nfs/dbraw/zinc/16/90/38/1202169038.db2.gz	ZAATUCDKUMQOKE-UHFFFAOYSA-N	0	1	390.343	0.415	20	30		GCEDMN
COc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771898089	1202169103	/nfs/dbraw/zinc/16/91/03/1202169103.db2.gz	UEKDWLYAURFQIT-UHFFFAOYSA-N	0	1	392.437	0.112	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)CC1	ZINC000772111054	1202174576	/nfs/dbraw/zinc/17/45/76/1202174576.db2.gz	ZUEXFBLGVNBIJG-GOSISDBHSA-N	0	1	377.485	0.590	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-n2nccn2)nc1)c1ccn[nH]1	ZINC000772120355	1202174641	/nfs/dbraw/zinc/17/46/41/1202174641.db2.gz	DOTHTWCLYUBCHJ-UHFFFAOYSA-N	0	1	384.356	0.308	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(Cn2cncn2)c1)c1ccn[nH]1	ZINC000772121192	1202174861	/nfs/dbraw/zinc/17/48/61/1202174861.db2.gz	HJPLNXOPJMACJZ-UHFFFAOYSA-N	0	1	397.395	0.972	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1	ZINC000772109898	1202174865	/nfs/dbraw/zinc/17/48/65/1202174865.db2.gz	KUDIRAZVHSKFMM-MRXNPFEDSA-N	0	1	385.468	0.402	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000772109731	1202174918	/nfs/dbraw/zinc/17/49/18/1202174918.db2.gz	IKSQXYUFNKLLDY-DOTOQJQBSA-N	0	1	398.525	0.689	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1	ZINC000772115468	1202174969	/nfs/dbraw/zinc/17/49/69/1202174969.db2.gz	HOYOCWSQJWYWOV-UHFFFAOYSA-N	0	1	389.496	0.736	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccn[nH]1	ZINC000772147530	1202176032	/nfs/dbraw/zinc/17/60/32/1202176032.db2.gz	DYIIXRWNNCBPPK-UHFFFAOYSA-N	0	1	387.352	0.663	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ncnn1-c1ccccc1)c1ccn[nH]1	ZINC000787605626	1205394442	/nfs/dbraw/zinc/39/44/42/1205394442.db2.gz	AGMYMZTZLPUATB-UHFFFAOYSA-N	0	1	397.395	0.591	20	30		GCEDMN
CN(CCNC(=O)C(=O)NCCNc1ncccc1C#N)Cc1ccc(F)cc1	ZINC000787776433	1205402659	/nfs/dbraw/zinc/40/26/59/1205402659.db2.gz	VCRHDDCPXVYRRU-UHFFFAOYSA-N	0	1	398.442	0.869	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)C(=O)NCCNc2ncccc2C#N)C[C@@H](C)O1	ZINC000787788421	1205403372	/nfs/dbraw/zinc/40/33/72/1205403372.db2.gz	XTAIYPKCXBLNLN-HUUCEWRRSA-N	0	1	388.472	0.097	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CCCO1	ZINC000789707960	1205445859	/nfs/dbraw/zinc/44/58/59/1205445859.db2.gz	UQXMLAMNZCIRDZ-CVEARBPZSA-N	0	1	379.526	0.761	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(C)c(-n2cnnn2)c1)c1ccn[nH]1	ZINC000789952762	1205453108	/nfs/dbraw/zinc/45/31/08/1205453108.db2.gz	HRHNJFRJCSXTHI-UHFFFAOYSA-N	0	1	398.383	0.616	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(-n2nnnc2C)c1)c1ccn[nH]1	ZINC000789956624	1205453426	/nfs/dbraw/zinc/45/34/26/1205453426.db2.gz	GWVDFNRYIWRMBN-UHFFFAOYSA-N	0	1	398.383	0.616	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@H](O)c3ncc[nH]3)CC2)CC1	ZINC000790079617	1205455284	/nfs/dbraw/zinc/45/52/84/1205455284.db2.gz	LBZSGUGANPZNQF-MJGOQNOKSA-N	0	1	388.516	0.847	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@H](O)c3ncc[nH]3)CC2)CC1	ZINC000790079611	1205455464	/nfs/dbraw/zinc/45/54/64/1205455464.db2.gz	LBZSGUGANPZNQF-HKUYNNGSSA-N	0	1	388.516	0.847	20	30		GCEDMN
N#Cc1ccc(N2CCN(CN3C[C@]4(CN5CCC4CC5)OC3=O)CC2)nc1	ZINC000790368547	1205463401	/nfs/dbraw/zinc/46/34/01/1205463401.db2.gz	JOIOGNHVGUQWLB-FQEVSTJZSA-N	0	1	382.468	0.949	20	30		GCEDMN
N#Cc1ccncc1N1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1	ZINC000793671791	1205502100	/nfs/dbraw/zinc/50/21/00/1205502100.db2.gz	DJLXBVPJICHQNQ-FQEVSTJZSA-N	0	1	382.468	0.949	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1	ZINC001130033729	1205529584	/nfs/dbraw/zinc/52/95/84/1205529584.db2.gz	CEXFPRKQZRIAGR-RDGPPVDQSA-N	0	1	387.484	0.641	20	30		GCEDMN
CCc1cc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n[nH]1	ZINC000805846581	1205545712	/nfs/dbraw/zinc/54/57/12/1205545712.db2.gz	QCWDBKNWFAIHOB-GOSISDBHSA-N	0	1	380.452	0.825	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#CCOC)C1	ZINC001130596850	1205555026	/nfs/dbraw/zinc/55/50/26/1205555026.db2.gz	SPHSCDOUCGYXRU-BWPNAZKDSA-N	0	1	386.496	0.935	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1c1cn(C)cn1	ZINC001130632507	1205557016	/nfs/dbraw/zinc/55/70/16/1205557016.db2.gz	CQUHDFLNLZTOQD-HBWRTXEVSA-N	0	1	397.523	0.880	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)NC)C1	ZINC001130687590	1205559933	/nfs/dbraw/zinc/55/99/33/1205559933.db2.gz	HRINLZXWUCJNLE-KMCQBPLKSA-N	0	1	375.473	0.031	20	30		GCEDMN
Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]2NCC(=O)NCC#N)c1	ZINC001130692663	1205560105	/nfs/dbraw/zinc/56/01/05/1205560105.db2.gz	XFQMTDIOLLXHEP-UIBIWLFHSA-N	0	1	384.484	0.380	20	30		GCEDMN
CC(C)[C@@H]1CCO[C@@H]1C(=O)NCc1n[nH]c([C@H]2CC[C@@H](CNCC#N)O2)n1	ZINC001130782762	1205570086	/nfs/dbraw/zinc/57/00/86/1205570086.db2.gz	CAODMBPRIRISJZ-AYDFFVQHSA-N	0	1	376.461	0.815	20	30		GCEDMN
N#CCNC[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)n[nH]2)O1	ZINC001130783454	1205570308	/nfs/dbraw/zinc/57/03/08/1205570308.db2.gz	YLOXUGUZRHTNPX-CAOSSQGBSA-N	0	1	381.440	0.953	20	30		GCEDMN
N#CCNC[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)n[nH]2)O1	ZINC001130806856	1205572134	/nfs/dbraw/zinc/57/21/34/1205572134.db2.gz	LTWFFLDGFXNQBI-CAOSSQGBSA-N	0	1	381.440	0.953	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)N2CCN(CCO)C(C)(C)C2)C1	ZINC000807110506	1205575577	/nfs/dbraw/zinc/57/55/77/1205575577.db2.gz	UVWJSPDHTLGBMS-HUUCEWRRSA-N	0	1	395.504	0.844	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H](C)C1	ZINC000807110656	1205575687	/nfs/dbraw/zinc/57/56/87/1205575687.db2.gz	XAWRWAINDSZWJO-CAOSSQGBSA-N	0	1	395.504	0.842	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131035935	1205588694	/nfs/dbraw/zinc/58/86/94/1205588694.db2.gz	UVZJVFJIGRNETB-WNRNVDISSA-N	0	1	383.496	0.490	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC(=O)NC(C)C)C1	ZINC001131072416	1205591611	/nfs/dbraw/zinc/59/16/11/1205591611.db2.gz	XVDNOFUFOBOYTK-KONPQCLYSA-N	0	1	389.500	0.420	20	30		GCEDMN
C=CCCCN1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001131369621	1205608853	/nfs/dbraw/zinc/60/88/53/1205608853.db2.gz	PYQFJNFAIZYOGA-JENIJYKNSA-N	0	1	379.501	0.655	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2n[nH]c(-c3ccccc3)n2)c1	ZINC000810297778	1205635512	/nfs/dbraw/zinc/63/55/12/1205635512.db2.gz	IPEMFOUCKCEERG-UHFFFAOYSA-N	0	1	396.432	0.938	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1	ZINC000810297778	1205635514	/nfs/dbraw/zinc/63/55/14/1205635514.db2.gz	IPEMFOUCKCEERG-UHFFFAOYSA-N	0	1	396.432	0.938	20	30		GCEDMN
N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CCN1C1CC1	ZINC000810391537	1205636785	/nfs/dbraw/zinc/63/67/85/1205636785.db2.gz	GQBRRIDSFHQDMZ-LBPRGKRZSA-N	0	1	384.408	0.442	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000747818406	1205668331	/nfs/dbraw/zinc/66/83/31/1205668331.db2.gz	PUVQDOXXFDXAMZ-RDJZCZTQSA-N	0	1	385.464	0.793	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000747818021	1205668377	/nfs/dbraw/zinc/66/83/77/1205668377.db2.gz	DUINDKRJLBLBRV-QGZVFWFLSA-N	0	1	383.496	0.580	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000747818407	1205668462	/nfs/dbraw/zinc/66/84/62/1205668462.db2.gz	PUVQDOXXFDXAMZ-WBVHZDCISA-N	0	1	385.464	0.793	20	30		GCEDMN
CON(C)C(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000812869763	1205670023	/nfs/dbraw/zinc/67/00/23/1205670023.db2.gz	LPADCWQZXGLPHG-QGZVFWFLSA-N	0	1	379.505	0.411	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1cc(-n2cc[nH+]c2C)ncn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170742379	1205689993	/nfs/dbraw/zinc/68/99/93/1205689993.db2.gz	FRBZMJFNTUWSTG-SJKOYZFVSA-N	0	1	388.453	0.936	20	30		GCEDMN
CCCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OC)cc1	ZINC000814883371	1205696488	/nfs/dbraw/zinc/69/64/88/1205696488.db2.gz	LINMCIRTVTYOAC-UHFFFAOYSA-N	0	1	394.453	0.575	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(N)c1	ZINC000814883356	1205696540	/nfs/dbraw/zinc/69/65/40/1205696540.db2.gz	KVTRSLHBIBITIW-UHFFFAOYSA-N	0	1	399.860	0.412	20	30		GCEDMN
N#Cc1ccc(O)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1	ZINC000748005515	1205705375	/nfs/dbraw/zinc/70/53/75/1205705375.db2.gz	RFFGWLFWMXJKRP-LLVKDONJSA-N	0	1	376.394	0.368	20	30		GCEDMN
C[C@H](CCCC#N)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1	ZINC001172493397	1205716250	/nfs/dbraw/zinc/71/62/50/1205716250.db2.gz	AKNKBGLSEFZPHZ-QBPKDAKJSA-N	0	1	383.514	0.663	20	30		GCEDMN
C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001173204411	1205719036	/nfs/dbraw/zinc/71/90/36/1205719036.db2.gz	HKQYFSMNODVUJQ-AAZWCJRRSA-N	0	1	387.476	0.829	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(O)c1C(=O)OC)c1ccn[nH]1	ZINC001177263041	1205765455	/nfs/dbraw/zinc/76/54/55/1205765455.db2.gz	NOZPYIWJTUHCLP-QNGOZBTKSA-N	0	1	390.352	0.824	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(C#N)c(C#N)cc1N)c1ccn[nH]1	ZINC001177262959	1205765626	/nfs/dbraw/zinc/76/56/26/1205765626.db2.gz	MKPAKZRCQNUIIS-JLPGSUDCSA-N	0	1	381.352	0.658	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C)C1)c1cc[nH]n1	ZINC001177262794	1205765634	/nfs/dbraw/zinc/76/56/34/1205765634.db2.gz	GPDZUENTYPIUGK-QMJGCNRSSA-N	0	1	391.428	0.163	20	30		GCEDMN
C=C[C@H]1C[C@]1(NC(=O)C(=NOCC(=O)OCC)c1ccn[nH]1)C(=O)OCC	ZINC001177263693	1205765638	/nfs/dbraw/zinc/76/56/38/1205765638.db2.gz	ALHYNIVRXFQNJE-OYKAEWKESA-N	0	1	378.385	0.318	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(-n2ccnn2)cc1)c1ccn[nH]1	ZINC001177265853	1205765845	/nfs/dbraw/zinc/76/58/45/1205765845.db2.gz	DDYZXALZXDDRAJ-QJOMJCCJSA-N	0	1	397.395	0.591	20	30		GCEDMN
CCOC(=O)C=C(NC(=O)C(=NOCC(=O)OCC)c1ccn[nH]1)OCC	ZINC001177267372	1205766078	/nfs/dbraw/zinc/76/60/78/1205766078.db2.gz	XMCBKAFFADIXDC-GDJGPLHFSA-N	0	1	382.373	0.251	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CCO)c1ccc(N)cc1)c1ccn[nH]1	ZINC001177266660	1205766105	/nfs/dbraw/zinc/76/61/05/1205766105.db2.gz	NFDMDYWUYKTUDL-UIFJYSFJSA-N	0	1	389.412	0.516	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCNC(=O)c1cccs1)c1ccn[nH]1	ZINC001177267405	1205766168	/nfs/dbraw/zinc/76/61/68/1205766168.db2.gz	YCXLXGXBJDOXEL-STZFKDTASA-N	0	1	393.425	0.301	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC(=N)n1nnc2ccccc21)c1ccn[nH]1	ZINC001177266406	1205766284	/nfs/dbraw/zinc/76/62/84/1205766284.db2.gz	LEPVWGRXYVPQSK-HMAPJEAMSA-N	0	1	384.356	0.037	20	30		GCEDMN
CN(C)c1ccnc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1	ZINC001177954018	1205780063	/nfs/dbraw/zinc/78/00/63/1205780063.db2.gz	YFKGJOZXRNMTQA-UHFFFAOYSA-N	0	1	387.465	0.893	20	30		GCEDMN
CC(=O)N1CCN(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1	ZINC001179035878	1205801536	/nfs/dbraw/zinc/80/15/36/1205801536.db2.gz	RVAWPTRYPQTWKN-UHFFFAOYSA-N	0	1	383.496	0.825	20	30		GCEDMN
COc1nc(C(=NC(=O)C2(O)CCN(C)CC2)NO)ccc1-n1cnc(C)c1	ZINC001182036588	1205854367	/nfs/dbraw/zinc/85/43/67/1205854367.db2.gz	FIPSLEYXOCHUPB-UHFFFAOYSA-N	0	1	388.428	0.293	20	30		GCEDMN
C=CCSCC(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CCN1CC2	ZINC001273475059	1205868640	/nfs/dbraw/zinc/86/86/40/1205868640.db2.gz	VFEAPHGIDPLQKK-BBWFWOEESA-N	0	1	379.526	0.828	20	30		GCEDMN
CC(C)(CNN=Cc1c(N2CCOCC2)nc2ccccn21)S(C)(=O)=O	ZINC000774478165	1205874171	/nfs/dbraw/zinc/87/41/71/1205874171.db2.gz	BHQPVVXUKCIISP-UHFFFAOYSA-N	0	1	379.486	0.918	20	30		GCEDMN
N#C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1)C(N)=O	ZINC001182541133	1205876336	/nfs/dbraw/zinc/87/63/36/1205876336.db2.gz	ALLBKYPPYZFLNE-PMACEKPBSA-N	0	1	391.475	0.867	20	30		GCEDMN
CCOC(=O)[C@@H](C#N)NC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O	ZINC001183428828	1205892480	/nfs/dbraw/zinc/89/24/80/1205892480.db2.gz	NQHMSKDIKIMVMM-LLVKDONJSA-N	0	1	390.783	0.895	20	30		GCEDMN
C[C@@H]1NC(=O)[C@H](CCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)NC1=O	ZINC001184102299	1205905085	/nfs/dbraw/zinc/90/50/85/1205905085.db2.gz	UFLAIGGVEFCYSX-RDJZCZTQSA-N	0	1	397.479	0.444	20	30		GCEDMN
CCOC(=O)[C@H](C#N)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184360825	1205908075	/nfs/dbraw/zinc/90/80/75/1205908075.db2.gz	RTZJIJCZGUMTGF-AWEZNQCLSA-N	0	1	387.392	0.810	20	30		GCEDMN
CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184378683	1205908667	/nfs/dbraw/zinc/90/86/67/1205908667.db2.gz	CDIAUFJEKVKWQF-HOTGVXAUSA-N	0	1	397.391	0.897	20	30		GCEDMN
COc1ccc(C#N)c(C(=O)N2Cc3n[nH]c(C(=O)N4CCOCC4)c3C2)c1	ZINC001189076077	1205995867	/nfs/dbraw/zinc/99/58/67/1205995867.db2.gz	MERMTOIHZSLFIY-UHFFFAOYSA-N	0	1	381.392	0.918	20	30		GCEDMN
CN(C)CC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2F)CC1	ZINC001190677660	1206043233	/nfs/dbraw/zinc/04/32/33/1206043233.db2.gz	QWXXIWGCKKBVEW-HDJSIYSDSA-N	0	1	382.461	0.965	20	30		GCEDMN
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001571312488	946494590	/nfs/dbraw/zinc/49/45/90/946494590.db2.gz	FUEKWSUDDUUQQM-YPMHNXCESA-N	0	1	392.427	0.631	20	30		GCEDMN
C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001571313454	946522246	/nfs/dbraw/zinc/52/22/46/946522246.db2.gz	RNSFQJXKYCJGPU-LLVKDONJSA-N	0	1	392.427	0.891	20	30		GCEDMN
C#CCCCCCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573283044	946705787	/nfs/dbraw/zinc/70/57/87/946705787.db2.gz	RBKYBIAKFIODNK-OAHLLOKOSA-N	0	1	383.456	0.907	20	30		GCEDMN
C#CCCCCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1	ZINC001573283332	946713136	/nfs/dbraw/zinc/71/31/36/946713136.db2.gz	HGIVTLBFKLYRIT-UHFFFAOYSA-N	0	1	383.456	0.955	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)NCCN(CC)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC001573283849	946728476	/nfs/dbraw/zinc/72/84/76/946728476.db2.gz	WHMOYNSHXMDGAO-UHFFFAOYSA-N	0	1	382.472	0.549	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573286527	946810964	/nfs/dbraw/zinc/81/09/64/946810964.db2.gz	CZXHEHOYPLQNLD-ZYIUAKIQSA-N	0	1	384.415	0.591	20	30		GCEDMN
C#CCOCCC(=O)N1CCC(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1	ZINC001573286986	946824224	/nfs/dbraw/zinc/82/42/24/946824224.db2.gz	JVAGVRJWZWXOML-UHFFFAOYSA-N	0	1	383.456	0.682	20	30		GCEDMN
C#CCOCCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1	ZINC001573287229	946832239	/nfs/dbraw/zinc/83/22/39/946832239.db2.gz	MJXDYHRHWCLCGJ-OAHLLOKOSA-N	0	1	383.456	0.682	20	30		GCEDMN
C#Cc1ccc(C(=O)NCCOCCCNc2ccnc(-c3nn[nH]n3)n2)cc1	ZINC001573287479	946838728	/nfs/dbraw/zinc/83/87/28/946838728.db2.gz	IKIHVNHMEAJRGG-UHFFFAOYSA-N	0	1	392.423	0.309	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)cn1	ZINC001573288977	946880538	/nfs/dbraw/zinc/88/05/38/946880538.db2.gz	WBXAHQQBNNSTFF-HNNXBMFYSA-N	0	1	389.423	0.562	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1	ZINC001573291815	946925125	/nfs/dbraw/zinc/92/51/25/946925125.db2.gz	JQEGFHXVXOBBSE-KOMQPUFPSA-N	0	1	388.435	0.989	20	30		GCEDMN
C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1	ZINC001573292326	946933369	/nfs/dbraw/zinc/93/33/69/946933369.db2.gz	TZHJPHDYECGEET-FZMZJTMJSA-N	0	1	375.396	0.170	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573565499	947007515	/nfs/dbraw/zinc/00/75/15/947007515.db2.gz	RKAPBLSCSOODEQ-GFCCVEGCSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573565499	947007528	/nfs/dbraw/zinc/00/75/28/947007528.db2.gz	RKAPBLSCSOODEQ-GFCCVEGCSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573565499	947007541	/nfs/dbraw/zinc/00/75/41/947007541.db2.gz	RKAPBLSCSOODEQ-GFCCVEGCSA-N	0	1	389.485	0.873	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573565499	947007555	/nfs/dbraw/zinc/00/75/55/947007555.db2.gz	RKAPBLSCSOODEQ-GFCCVEGCSA-N	0	1	389.485	0.873	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1	ZINC001573295153	947008852	/nfs/dbraw/zinc/00/88/52/947008852.db2.gz	OCYWBUQSYYFTRK-ABHRYQDASA-N	0	1	382.428	0.427	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC1(CO)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1	ZINC001573572037	947106631	/nfs/dbraw/zinc/10/66/31/947106631.db2.gz	DGNZJHSVDIVYOQ-LBPRGKRZSA-N	0	1	387.419	0.609	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1	ZINC001573576749	947155877	/nfs/dbraw/zinc/15/58/77/947155877.db2.gz	JFMMRCLFDUDAMW-NSHDSACASA-N	0	1	375.458	0.843	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1	ZINC001573576749	947155881	/nfs/dbraw/zinc/15/58/81/947155881.db2.gz	JFMMRCLFDUDAMW-NSHDSACASA-N	0	1	375.458	0.843	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573309737	947207919	/nfs/dbraw/zinc/20/79/19/947207919.db2.gz	NVLQVXAMQQLJHE-ROUUACIJSA-N	0	1	384.444	0.413	20	30		GCEDMN
CCOC(=O)CN(C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N)c1ccccc1	ZINC000825511737	947212028	/nfs/dbraw/zinc/21/20/28/947212028.db2.gz	CMZRUNLLMDALNT-UHFFFAOYSA-N	0	1	380.368	0.531	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCc1ccc(CCNc2ccnc(-c3nn[nH]n3)n2)cc1	ZINC001573585145	947245389	/nfs/dbraw/zinc/24/53/89/947245389.db2.gz	LFBUXSCRPGPOLJ-LBPRGKRZSA-N	0	1	377.412	0.509	20	30		GCEDMN
C=CCCOCC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573336771	947510661	/nfs/dbraw/zinc/51/06/61/947510661.db2.gz	QYZDLUMMYHEDED-CQSZACIVSA-N	0	1	387.444	0.306	20	30		GCEDMN
C=CCCOCC(=O)NC[C@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CCO1	ZINC001573336803	947512132	/nfs/dbraw/zinc/51/21/32/947512132.db2.gz	RKDQMOVYGPHHRP-AWEZNQCLSA-N	0	1	387.444	0.484	20	30		GCEDMN
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000826189720	947578891	/nfs/dbraw/zinc/57/88/91/947578891.db2.gz	CMSHODHZMJXPBS-UHFFFAOYSA-N	0	1	395.383	0.007	20	30		GCEDMN
C=CCOc1cccnc1C(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1	ZINC001573347961	947579424	/nfs/dbraw/zinc/57/94/24/947579424.db2.gz	KNOKSMLTVSPPMQ-GFCCVEGCSA-N	0	1	380.412	0.874	20	30		GCEDMN
C=CCOCCCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573348321	947581416	/nfs/dbraw/zinc/58/14/16/947581416.db2.gz	PILJUSDUOQGIJJ-CQSZACIVSA-N	0	1	386.460	0.854	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573352037	947622863	/nfs/dbraw/zinc/62/28/63/947622863.db2.gz	YQWBEQQLCRYOOS-KFWWJZLASA-N	0	1	398.471	0.710	20	30		GCEDMN
C[C@@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)n1cnc(-c2nn[nH]n2)n1	ZINC001573626915	947714304	/nfs/dbraw/zinc/71/43/04/947714304.db2.gz	XJGYTXGHKQVHNS-NSHDSACASA-N	0	1	378.400	0.692	20	30		GCEDMN
Cc1cccc(Cn2[nH]ccc2=NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c1	ZINC000826298049	947863568	/nfs/dbraw/zinc/86/35/68/947863568.db2.gz	AVXSNYGTMGZNEQ-UHFFFAOYSA-N	0	1	388.395	0.549	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1Cc1nnnn1-c1ccc(OC(F)F)cc1	ZINC000826382916	948179016	/nfs/dbraw/zinc/17/90/16/948179016.db2.gz	ANVLQBVORLXNRH-UHFFFAOYSA-N	0	1	385.298	0.560	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1	ZINC000826383047	948179827	/nfs/dbraw/zinc/17/98/27/948179827.db2.gz	HXZSFSGFIGZPCQ-UHFFFAOYSA-N	0	1	387.289	0.978	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)Nc1cc(Cl)ccc1-n1cncn1	ZINC000826382908	948180314	/nfs/dbraw/zinc/18/03/14/948180314.db2.gz	AETVBBNSMISGTA-UHFFFAOYSA-N	0	1	395.774	0.808	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCN(Cc2cccs2)CC1	ZINC000826383316	948182778	/nfs/dbraw/zinc/18/27/78/948182778.db2.gz	VFALOKRTYCTHKS-UHFFFAOYSA-N	0	1	383.441	0.341	20	30		GCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001602789571	971546150	/nfs/dbraw/zinc/54/61/50/971546150.db2.gz	VTKKVIJHEXNMMF-PJIJBLCYSA-N	0	1	378.473	0.827	20	30		GCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001602789569	971546410	/nfs/dbraw/zinc/54/64/10/971546410.db2.gz	VTKKVIJHEXNMMF-BIENJYKASA-N	0	1	378.473	0.827	20	30		GCEDMN
C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576169080	949662415	/nfs/dbraw/zinc/66/24/15/949662415.db2.gz	DYFFNLUKNWOUPI-BXUZGUMPSA-N	0	1	392.427	0.631	20	30		GCEDMN
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576192779	950268373	/nfs/dbraw/zinc/26/83/73/950268373.db2.gz	QYGHLTVMYFMZKR-VXGBXAGGSA-N	0	1	392.427	0.489	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H](O)C1	ZINC001573854012	950334875	/nfs/dbraw/zinc/33/48/75/950334875.db2.gz	WQFDJWLOMADNMM-KOLCDFICSA-N	0	1	387.404	0.311	20	30		GCEDMN
C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1	ZINC001575139811	952142055	/nfs/dbraw/zinc/14/20/55/952142055.db2.gz	CHLZTIXVULDPFO-KRWDZBQOSA-N	0	1	378.400	0.289	20	30		GCEDMN
Cc1cc(N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1	ZINC001571126931	952548041	/nfs/dbraw/zinc/54/80/41/952548041.db2.gz	ABRBLPJATHYGSH-QLJPJBMISA-N	0	1	377.412	0.764	20	30		GCEDMN
COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]2C(=O)[O-]	ZINC001593824922	955091384	/nfs/dbraw/zinc/09/13/84/955091384.db2.gz	UQKQTPACTBODKZ-NGEICVOHSA-N	0	1	385.420	0.760	20	30		GCEDMN
N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)N3CCC[C@H]3C(=O)[O-])CC2)c1	ZINC001594625886	956314864	/nfs/dbraw/zinc/31/48/64/956314864.db2.gz	QIJWBONSNKNOSJ-KRWDZBQOSA-N	0	1	392.481	0.906	20	30		GCEDMN
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588910463	984549688	/nfs/dbraw/zinc/54/96/88/984549688.db2.gz	ZETQAKUGRALHMH-KBXIAJHMSA-N	0	1	377.445	0.678	20	30		GCEDMN
C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)[O-])C2)C1	ZINC001598586536	993392192	/nfs/dbraw/zinc/39/21/92/993392192.db2.gz	RVIJPPBOPDDFAN-OXJNMPFZSA-N	0	1	396.451	0.794	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(=O)[O-])C1	ZINC001598607725	993699782	/nfs/dbraw/zinc/69/97/82/993699782.db2.gz	SWGFHPIPMYKYCL-IRXDYDNUSA-N	0	1	399.451	0.317	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(=O)[O-])C1	ZINC001598607724	993700279	/nfs/dbraw/zinc/70/02/79/993700279.db2.gz	SWGFHPIPMYKYCL-IAGOWNOFSA-N	0	1	399.451	0.317	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC001598781074	995985791	/nfs/dbraw/zinc/98/57/91/995985791.db2.gz	WCAVKPGOZGEKLU-HLLBOEOZSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786031	996030373	/nfs/dbraw/zinc/03/03/73/996030373.db2.gz	XPHUXOLPPKPZBZ-IUODEOHRSA-N	0	1	384.392	0.758	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC001598786031	996030378	/nfs/dbraw/zinc/03/03/78/996030378.db2.gz	XPHUXOLPPKPZBZ-IUODEOHRSA-N	0	1	384.392	0.758	20	30		GCEDMN
COC[C@]1(C(=O)[O-])CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001599188805	997082222	/nfs/dbraw/zinc/08/22/22/997082222.db2.gz	SYAADKSCXIPPFA-LPHOPBHVSA-N	0	1	380.489	0.634	20	30		GCEDMN
COC[C@]1(C(=O)[O-])CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001599188805	997082232	/nfs/dbraw/zinc/08/22/32/997082232.db2.gz	SYAADKSCXIPPFA-LPHOPBHVSA-N	0	1	380.489	0.634	20	30		GCEDMN
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@H+]1CCC(=O)[O-]	ZINC001594462842	999676720	/nfs/dbraw/zinc/67/67/20/999676720.db2.gz	PJQMWDLLBOSHKX-GDBMZVCRSA-N	0	1	384.436	0.919	20	30		GCEDMN
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@H+]1CCC(=O)[O-]	ZINC001594462850	999676756	/nfs/dbraw/zinc/67/67/56/999676756.db2.gz	PJQMWDLLBOSHKX-ZBFHGGJFSA-N	0	1	384.436	0.919	20	30		GCEDMN
C[C@H](NCCn1cnc(C#N)n1)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000560583178	530177634	/nfs/dbraw/zinc/17/76/34/530177634.db2.gz	SKXDMLITZIWIJX-VIFPVBQESA-N	0	1	399.274	0.910	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)NCCc1ccc(Cl)cc1	ZINC000556413184	530183231	/nfs/dbraw/zinc/18/32/31/530183231.db2.gz	VLKYLPORFMGBAF-UHFFFAOYSA-N	0	1	384.845	0.956	20	30		GCEDMN
COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287405831	530237222	/nfs/dbraw/zinc/23/72/22/530237222.db2.gz	AGOMVUMRIFVADF-UHFFFAOYSA-N	0	1	383.246	0.954	20	30		GCEDMN
COCCN(C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000287405831	530237224	/nfs/dbraw/zinc/23/72/24/530237224.db2.gz	AGOMVUMRIFVADF-UHFFFAOYSA-N	0	1	383.246	0.954	20	30		GCEDMN
CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1cccnc1C#N)C(F)(F)F	ZINC000285219144	530220677	/nfs/dbraw/zinc/22/06/77/530220677.db2.gz	GKPGOSHYPUNLLH-SNVBAGLBSA-N	0	1	386.377	0.054	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000329371508	530286270	/nfs/dbraw/zinc/28/62/70/530286270.db2.gz	MGEJUTFMUFXRBJ-SNVBAGLBSA-N	0	1	380.923	0.882	20	30		GCEDMN
COc1cccnc1NS(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1	ZINC000594638777	530433338	/nfs/dbraw/zinc/43/33/38/530433338.db2.gz	VFPXBRDUUOHJSD-UHFFFAOYSA-N	0	1	388.471	0.397	20	30		GCEDMN
CC(C)(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n[nH]1	ZINC000594638793	530433450	/nfs/dbraw/zinc/43/34/50/530433450.db2.gz	OGCPAYBFLNLNRC-UHFFFAOYSA-N	0	1	389.503	0.624	20	30		GCEDMN
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC(=O)N1CCNCC1	ZINC000595106869	530443985	/nfs/dbraw/zinc/44/39/85/530443985.db2.gz	YRKTXCKEXVZRBB-UHFFFAOYSA-N	0	1	378.479	0.792	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)cc1Br	ZINC000584839052	530518206	/nfs/dbraw/zinc/51/82/06/530518206.db2.gz	REWZHBZWSVISGK-UHFFFAOYSA-N	0	1	387.259	0.031	20	30		GCEDMN
CCN(C1CCN(C(=O)N[C@H]2CCN(CCOC)C2)CC1)S(C)(=O)=O	ZINC000330842321	530531292	/nfs/dbraw/zinc/53/12/92/530531292.db2.gz	NNPMHGJZWATDAS-AWEZNQCLSA-N	0	1	376.523	0.367	20	30		GCEDMN
CCN(C1CCN(C(=O)N[C@@H]2CCN(CCOC)C2)CC1)S(C)(=O)=O	ZINC000330842322	530531698	/nfs/dbraw/zinc/53/16/98/530531698.db2.gz	NNPMHGJZWATDAS-CQSZACIVSA-N	0	1	376.523	0.367	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]cc1SC	ZINC000349450625	530635912	/nfs/dbraw/zinc/63/59/12/530635912.db2.gz	AWGQQNFRZALFDY-UHFFFAOYSA-N	0	1	380.517	0.548	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCN(C)C	ZINC000349446697	530636013	/nfs/dbraw/zinc/63/60/13/530636013.db2.gz	ADOLRESDAGJFLW-ZDUSSCGKSA-N	0	1	388.515	0.401	20	30		GCEDMN
CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCN1CCOC	ZINC000329677934	530618739	/nfs/dbraw/zinc/61/87/39/530618739.db2.gz	WUQKBACHNKDLMY-HUUCEWRRSA-N	0	1	376.523	0.367	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)C#N)c1C	ZINC000349514031	530667644	/nfs/dbraw/zinc/66/76/44/530667644.db2.gz	CVGRIJZTZVLMEY-JTQLQIEISA-N	0	1	377.492	0.580	20	30		GCEDMN
CN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1	ZINC000563977051	530688119	/nfs/dbraw/zinc/68/81/19/530688119.db2.gz	YSUUQAQZLDEUJO-UHFFFAOYSA-N	0	1	386.499	0.203	20	30		GCEDMN
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n[nH]c1=O	ZINC000470822868	530696966	/nfs/dbraw/zinc/69/69/66/530696966.db2.gz	SWBZRLBRAZEORT-VIFPVBQESA-N	0	1	383.455	0.936	20	30		GCEDMN
Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)n1	ZINC000349537968	530900618	/nfs/dbraw/zinc/90/06/18/530900618.db2.gz	FPNCRVXNEXSXCG-UHFFFAOYSA-N	0	1	375.476	0.165	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N(C)C1CCC1	ZINC000349517959	530887537	/nfs/dbraw/zinc/88/75/37/530887537.db2.gz	GGCKXMOITHNKJS-UHFFFAOYSA-N	0	1	389.503	0.721	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)c1C	ZINC000349615859	530912566	/nfs/dbraw/zinc/91/25/66/530912566.db2.gz	LJLGENXITIPNPI-UHFFFAOYSA-N	0	1	389.503	0.724	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000269865656	530950715	/nfs/dbraw/zinc/95/07/15/530950715.db2.gz	KOBWJLQCFDKCQY-SNVBAGLBSA-N	0	1	379.410	0.539	20	30		GCEDMN
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000538121392	531030569	/nfs/dbraw/zinc/03/05/69/531030569.db2.gz	UAUSVYWPFQRFLO-GFCCVEGCSA-N	0	1	392.499	0.920	20	30		GCEDMN
C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)s1	ZINC000414212230	531049477	/nfs/dbraw/zinc/04/94/77/531049477.db2.gz	QBNYPXGWLJQOJC-MRVPVSSYSA-N	0	1	375.476	0.923	20	30		GCEDMN
CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2CCC[C@H]2C1	ZINC000565228021	531180701	/nfs/dbraw/zinc/18/07/01/531180701.db2.gz	BVBSRDCCWJATLI-AWEZNQCLSA-N	0	1	392.547	0.098	20	30		GCEDMN
C#CCN1CCN(C(=O)C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)CC1	ZINC000825620213	601160238	/nfs/dbraw/zinc/16/02/38/601160238.db2.gz	XYPJKQBFHHXDOS-QGZVFWFLSA-N	0	1	384.480	0.673	20	30		GCEDMN
C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)CC1	ZINC000825620213	601160239	/nfs/dbraw/zinc/16/02/39/601160239.db2.gz	XYPJKQBFHHXDOS-QGZVFWFLSA-N	0	1	384.480	0.673	20	30		GCEDMN
CN(CCC(=O)[O-])S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000830734361	601254192	/nfs/dbraw/zinc/25/41/92/601254192.db2.gz	DVVIVYQNNAGQME-UHFFFAOYSA-N	0	1	380.470	0.717	20	30		GCEDMN
CN(CCC(=O)[O-])S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000830734361	601254195	/nfs/dbraw/zinc/25/41/95/601254195.db2.gz	DVVIVYQNNAGQME-UHFFFAOYSA-N	0	1	380.470	0.717	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC(=O)[O-])C3CCCC3)CC2)o1	ZINC000832994398	602337754	/nfs/dbraw/zinc/33/77/54/602337754.db2.gz	JOEILHYJNYUCDQ-UHFFFAOYSA-N	0	1	375.429	0.833	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC(=O)[O-])C3CCCC3)CC2)o1	ZINC000832994398	602337757	/nfs/dbraw/zinc/33/77/57/602337757.db2.gz	JOEILHYJNYUCDQ-UHFFFAOYSA-N	0	1	375.429	0.833	20	30		GCEDMN
CCN(C[C@@H](C)C#N)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2nc(C)ccc21	ZINC000825399416	607715826	/nfs/dbraw/zinc/71/58/26/607715826.db2.gz	SHGQZECZENYNKM-NSHDSACASA-N	0	1	380.412	0.893	20	30		GCEDMN
COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C(=O)[O-])C1	ZINC000833709164	605692600	/nfs/dbraw/zinc/69/26/00/605692600.db2.gz	RBZCTFAATBFUAT-VYDXJSESSA-N	0	1	376.409	0.831	20	30		GCEDMN
C#CC[NH+]1CCC(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1	ZINC000819701782	606830774	/nfs/dbraw/zinc/83/07/74/606830774.db2.gz	MQKZYACQODVADI-CQSZACIVSA-N	0	1	395.471	0.039	20	30		GCEDMN
CC[C@H](C#N)Oc1cc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1OC	ZINC000820842629	607216611	/nfs/dbraw/zinc/21/66/11/607216611.db2.gz	OZQBAJMKEWWWAE-GFCCVEGCSA-N	0	1	397.399	0.464	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)o1	ZINC000826322775	607832094	/nfs/dbraw/zinc/83/20/94/607832094.db2.gz	AYSSYNGRIORISW-LBPRGKRZSA-N	0	1	399.459	0.436	20	30		GCEDMN
Cc1cc(C)n(N=Cc2cnc(N3CC[NH+](C)CC3)nc2)c(=O)c1-c1nnn[n-]1	ZINC000826265482	607885446	/nfs/dbraw/zinc/88/54/46/607885446.db2.gz	AQIHPAUCOZIBNM-UHFFFAOYSA-N	0	1	394.443	0.069	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000825934685	608036000	/nfs/dbraw/zinc/03/60/00/608036000.db2.gz	PTGDOLLVACQPAR-CQSZACIVSA-N	0	1	380.416	0.135	20	30		GCEDMN
CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349498642	639603646	/nfs/dbraw/zinc/60/36/46/639603646.db2.gz	RHELUCMVRUJHEG-LBPRGKRZSA-N	0	1	389.503	0.446	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1	ZINC000762591405	640611046	/nfs/dbraw/zinc/61/10/46/640611046.db2.gz	PKEGGHOKZUHSBN-UHFFFAOYSA-N	0	1	381.439	0.053	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(O)c(Cl)c1	ZINC000768785056	640760070	/nfs/dbraw/zinc/76/00/70/640760070.db2.gz	YNSANUJUWBMTFI-UHFFFAOYSA-N	0	1	386.817	0.146	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Cl)ccc1O	ZINC000771892896	640835379	/nfs/dbraw/zinc/83/53/79/640835379.db2.gz	VVSXEZPNJUXOEX-UHFFFAOYSA-N	0	1	386.817	0.146	20	30		GCEDMN
Cn1c(N)c(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2Br)c(=O)n(C)c1=O	ZINC000777450502	641131974	/nfs/dbraw/zinc/13/19/74/641131974.db2.gz	SWPXNRRZTIQYMT-UHFFFAOYSA-N	0	1	397.189	0.783	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)c2n[nH]c(CC)c2Br)CC1	ZINC000789928816	641401355	/nfs/dbraw/zinc/40/13/55/641401355.db2.gz	SARDJDIRTJGXSG-UHFFFAOYSA-N	0	1	382.262	0.242	20	30		GCEDMN
N#Cc1cccc(S(=O)(=O)CCN2CC(CNC(=O)C(F)(F)F)C2)c1	ZINC000871991443	641464260	/nfs/dbraw/zinc/46/42/60/641464260.db2.gz	CAFVENVUKXDRSF-UHFFFAOYSA-N	0	1	375.372	0.942	20	30		GCEDMN
CCc1ncc(C=Nn2c(C(F)(F)F)n[nH]c2=S)n1S(=O)(=O)N(C)C	ZINC000872329911	641467639	/nfs/dbraw/zinc/46/76/39/641467639.db2.gz	ZCWGPEMOPAOSII-UHFFFAOYSA-N	0	1	397.408	0.881	20	30		GCEDMN
C=C(Br)CNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1	ZINC000883213674	641750573	/nfs/dbraw/zinc/75/05/73/641750573.db2.gz	NFNCYPXRCSSINW-CQSZACIVSA-N	0	1	375.311	0.991	20	30		GCEDMN
C#CCSCCNC(=O)C1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000933340094	642016874	/nfs/dbraw/zinc/01/68/74/642016874.db2.gz	AFMSKJCWBKWKGN-LBPRGKRZSA-N	0	1	376.500	0.503	20	30		GCEDMN
C=CCN(CCOC)C(=O)C1CN(C(=O)OC(C)(C)C)CCS1(=O)=O	ZINC000935620264	642039002	/nfs/dbraw/zinc/03/90/02/642039002.db2.gz	LIOHQQNYQYFCTI-ZDUSSCGKSA-N	0	1	376.475	0.682	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccn2c(I)cnc12	ZINC000834480188	642213008	/nfs/dbraw/zinc/21/30/08/642213008.db2.gz	MHVGCVJYUAPNNX-SCZZXKLOSA-N	0	1	381.177	0.780	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000834495716	642213624	/nfs/dbraw/zinc/21/36/24/642213624.db2.gz	YJXZFPIBHXBPRK-SKDRFNHKSA-N	0	1	376.360	0.211	20	30		GCEDMN
C#CCC[C@@H](O)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000843102168	642364285	/nfs/dbraw/zinc/36/42/85/642364285.db2.gz	VETHLAPZQFCGTR-CQSZACIVSA-N	0	1	388.511	0.075	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21	ZINC000843460817	642370116	/nfs/dbraw/zinc/37/01/16/642370116.db2.gz	QRCRABBTHSNTSN-QWRGUYRKSA-N	0	1	377.451	0.139	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000843459438	642370307	/nfs/dbraw/zinc/37/03/07/642370307.db2.gz	FCAPNTAHTABXCN-OCCSQVGLSA-N	0	1	382.511	0.693	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000843459797	642370339	/nfs/dbraw/zinc/37/03/39/642370339.db2.gz	IHICMHHFNFEBNO-UFBFGSQYSA-N	0	1	377.253	0.499	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1	ZINC000843461854	642370823	/nfs/dbraw/zinc/37/08/23/642370823.db2.gz	NSGDMXIDKVFMTA-DGCLKSJQSA-N	0	1	386.271	0.592	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1	ZINC000843461748	642370849	/nfs/dbraw/zinc/37/08/49/642370849.db2.gz	NBNWTCUYOLZCCP-GHMZBOCLSA-N	0	1	386.524	0.327	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O	ZINC000843464007	642371004	/nfs/dbraw/zinc/37/10/04/642371004.db2.gz	YXBBZMORUHFDCB-NOZJJQNGSA-N	0	1	391.225	0.663	20	30		GCEDMN
C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848959438	642577102	/nfs/dbraw/zinc/57/71/02/642577102.db2.gz	IYGNHWDIHKLAIG-JTQLQIEISA-N	0	1	395.894	0.826	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C2CC2)nn1	ZINC000848960746	642583136	/nfs/dbraw/zinc/58/31/36/642583136.db2.gz	HVPDQNWXTKLCQR-LBPRGKRZSA-N	0	1	386.499	0.769	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1NC(C)=O	ZINC000848961844	642587185	/nfs/dbraw/zinc/58/71/85/642587185.db2.gz	PJYPRWARUJEJEK-UHFFFAOYSA-N	0	1	388.471	0.067	20	30		GCEDMN
C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)ncc1C)C(C)C	ZINC000848963113	642591962	/nfs/dbraw/zinc/59/19/62/642591962.db2.gz	JNPVVIDYOVDIGG-OAHLLOKOSA-N	0	1	387.527	0.829	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1	ZINC000848965915	642604773	/nfs/dbraw/zinc/60/47/73/642604773.db2.gz	XQDKNKCPPKQFFO-NSHDSACASA-N	0	1	376.504	0.780	20	30		GCEDMN
N#CCNC(=O)CNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000511920769	1192208194	/nfs/dbraw/zinc/20/81/94/1192208194.db2.gz	RUUPPVZPKAMVCJ-LBPRGKRZSA-N	0	1	381.318	0.852	20	30		GCEDMN
C=CCn1c(Cc2noc([C@@H]3CCCc4nn[nH]c43)n2)nnc1N1CCOCC1	ZINC000663157922	1192231949	/nfs/dbraw/zinc/23/19/49/1192231949.db2.gz	NKQZRNCOKMEQBX-GFCCVEGCSA-N	0	1	397.443	0.861	20	30		GCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000662166199	1192251061	/nfs/dbraw/zinc/25/10/61/1192251061.db2.gz	VHRLSWGIRFTJLA-ZIAGYGMSSA-N	0	1	383.470	0.171	20	30		GCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000662168201	1192251839	/nfs/dbraw/zinc/25/18/39/1192251839.db2.gz	XMWCEEMXLFZSRP-JKSUJKDBSA-N	0	1	381.498	0.353	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccn[nH]1	ZINC000278856626	1192256555	/nfs/dbraw/zinc/25/65/55/1192256555.db2.gz	WYRXCRNWDQCPTD-GSUBTECRSA-N	0	1	376.413	0.767	20	30		GCEDMN
C=CCc1ccc(OC[C@@H](O)CN2CCC[C@]3(C2)NC(=O)NC3=O)c(OC)c1	ZINC000279122320	1192469511	/nfs/dbraw/zinc/46/95/11/1192469511.db2.gz	UWGFCKXWOUJDIJ-MGPUTAFESA-N	0	1	389.452	0.837	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCO[C@]2(CCO[C@H]2C)C1)c1cc[nH]n1	ZINC000279815214	1192608024	/nfs/dbraw/zinc/60/80/24/1192608024.db2.gz	DHUDGVKHMNQXQS-LIDHDFKKSA-N	0	1	380.401	0.100	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H](C)N1	ZINC000418857630	1192670286	/nfs/dbraw/zinc/67/02/86/1192670286.db2.gz	SMLULZAFIUXKQJ-FMKPAKJESA-N	0	1	387.459	0.991	20	30		GCEDMN
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCN(CC)CC2)C1	ZINC000187967667	1184425129	/nfs/dbraw/zinc/42/51/29/1184425129.db2.gz	CJUMOOPNWKHWRA-KRWDZBQOSA-N	0	1	384.480	0.876	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1	ZINC000970145502	1184590574	/nfs/dbraw/zinc/59/05/74/1184590574.db2.gz	UZTCBHRBANGANA-NCOADZHNSA-N	0	1	391.468	0.624	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1	ZINC000275509054	1184693162	/nfs/dbraw/zinc/69/31/62/1184693162.db2.gz	ZCUWFYIXCWQSTG-OAHLLOKOSA-N	0	1	393.509	0.515	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](O)C1	ZINC000970522888	1184843544	/nfs/dbraw/zinc/84/35/44/1184843544.db2.gz	IAAJYVMPNXPUMB-DNMXQMFDSA-N	0	1	384.436	0.846	20	30		GCEDMN
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1	ZINC000275640241	1184849267	/nfs/dbraw/zinc/84/92/67/1184849267.db2.gz	DPXITSFIVWXBSM-INIZCTEOSA-N	0	1	387.484	0.869	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccc3nc(C)[nH]c32)[C@@H](O)C1	ZINC000970557966	1184860753	/nfs/dbraw/zinc/86/07/53/1184860753.db2.gz	AAPBILOYFQDICG-VZEFYGNVSA-N	0	1	384.436	0.764	20	30		GCEDMN
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nnc2ccccc2c1O	ZINC000160852159	1185595054	/nfs/dbraw/zinc/59/50/54/1185595054.db2.gz	SLAVVJBXOAKQJW-LBPRGKRZSA-N	0	1	375.392	0.936	20	30		GCEDMN
CNC(=O)[C@@H](NC(=O)CN(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000121427105	1185829144	/nfs/dbraw/zinc/82/91/44/1185829144.db2.gz	KCNKWTQUZIJALQ-KRWDZBQOSA-N	0	1	383.456	0.331	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F)c1cc[nH]n1	ZINC000276544457	1185882713	/nfs/dbraw/zinc/88/27/13/1185882713.db2.gz	GRYMIEJJDLVOIT-CWAKBXRISA-N	0	1	392.334	0.608	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1(c2noc(C)n2)CCCC1)c1ccn[nH]1	ZINC000276556595	1185896492	/nfs/dbraw/zinc/89/64/92/1185896492.db2.gz	IPRQEJGVUOAHND-HMAPJEAMSA-N	0	1	390.400	0.971	20	30		GCEDMN
C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCC(=O)N(CCC#N)CCC#N	ZINC000728365441	1185912505	/nfs/dbraw/zinc/91/25/05/1185912505.db2.gz	LXNQYNSNFMRMEG-CYBMUJFWSA-N	0	1	396.407	0.880	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cn2c(cccc2C)n1)c1ccn[nH]1	ZINC000276645695	1185933523	/nfs/dbraw/zinc/93/35/23/1185933523.db2.gz	VTDNFYBXCNZQTO-HAVVHWLPSA-N	0	1	384.396	0.966	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](CCO)c1ccccc1)c1ccn[nH]1	ZINC000276659636	1185934928	/nfs/dbraw/zinc/93/49/28/1185934928.db2.gz	XVVOFHPTESCVCS-CVIUTVQRSA-N	0	1	388.424	0.976	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCNC(=O)c1ccccc1)c1ccn[nH]1	ZINC000276676971	1185952367	/nfs/dbraw/zinc/95/23/67/1185952367.db2.gz	OHECEKCCWOUVKQ-XQNSMLJCSA-N	0	1	387.396	0.240	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc[nH]n1	ZINC000276695228	1185972588	/nfs/dbraw/zinc/97/25/88/1185972588.db2.gz	QMCNOJQPGJAQDQ-WWBYLEPYSA-N	0	1	395.460	0.309	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)CC1	ZINC001022287491	1185989883	/nfs/dbraw/zinc/98/98/83/1185989883.db2.gz	ZXRFBGYOJWCYLP-DTGNRIQCSA-N	0	1	397.519	0.814	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](C(=O)NCC3CC3)C2)CC1	ZINC000092617483	1186173845	/nfs/dbraw/zinc/17/38/45/1186173845.db2.gz	JJZKFXYKKIWVJG-RBUKOAKNSA-N	0	1	389.544	0.917	20	30		GCEDMN
COCCN1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000610806161	1186227322	/nfs/dbraw/zinc/22/73/22/1186227322.db2.gz	VCEJWNCEMLRVCC-ZBFHGGJFSA-N	0	1	394.497	0.452	20	30		GCEDMN
CN(C)C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1	ZINC000134907658	1186337654	/nfs/dbraw/zinc/33/76/54/1186337654.db2.gz	QGUYULAKUMWBSH-UHFFFAOYSA-N	0	1	376.482	0.731	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2nnc([C@H]3CCOC3)[nH]2)cc1	ZINC001648916540	1186569088	/nfs/dbraw/zinc/56/90/88/1186569088.db2.gz	ZNZNYHUGSCWQTI-AWEZNQCLSA-N	0	1	389.437	0.411	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2n[nH]c([C@H]3CCOC3)n2)cc1	ZINC001648916540	1186569093	/nfs/dbraw/zinc/56/90/93/1186569093.db2.gz	ZNZNYHUGSCWQTI-AWEZNQCLSA-N	0	1	389.437	0.411	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@]1(CO)C[C@@H](OCC)C1(C)C)c1ccn[nH]1	ZINC000277910279	1186686241	/nfs/dbraw/zinc/68/62/41/1186686241.db2.gz	ASYVODJXVOZESQ-LLIIFPHZSA-N	0	1	396.444	0.376	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccn[nH]1	ZINC000277974181	1186729925	/nfs/dbraw/zinc/72/99/25/1186729925.db2.gz	LRYSIXOXQPAPMM-UHXNGNGSSA-N	0	1	398.485	0.890	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(C)Cc1nc([C@H](C)OC)no1)c1cc[nH]n1	ZINC000278064648	1186765113	/nfs/dbraw/zinc/76/51/13/1186765113.db2.gz	VEOBMJZONBUULX-GODZOQJBSA-N	0	1	394.388	0.443	20	30		GCEDMN
C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCN(c2ccccc2)CC1	ZINC000052101233	1186769831	/nfs/dbraw/zinc/76/98/31/1186769831.db2.gz	YDDQYVJHUZYWGW-OAHLLOKOSA-N	0	1	382.468	0.578	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(OCC#N)cc1)c1ccn[nH]1	ZINC000278116632	1186789574	/nfs/dbraw/zinc/78/95/74/1186789574.db2.gz	LIBBHFJQYRHAHN-HAVVHWLPSA-N	0	1	385.380	0.912	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](CO)Cc1cccc(C)c1)c1ccn[nH]1	ZINC000278274349	1186866077	/nfs/dbraw/zinc/86/60/77/1186866077.db2.gz	FNSGTLJNLOFYAS-CVIUTVQRSA-N	0	1	388.424	0.722	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@H](OCC)[C@@]12CCCO2)c1ccn[nH]1	ZINC000278288315	1186873505	/nfs/dbraw/zinc/87/35/05/1186873505.db2.gz	BRAKVZKMANJIML-LJHSYXTFSA-N	0	1	394.428	0.536	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1	ZINC000583507044	1186873618	/nfs/dbraw/zinc/87/36/18/1186873618.db2.gz	RFFVCAMVISDMGA-KURKYZTESA-N	0	1	380.533	0.472	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nnc[nH]2)cc1	ZINC000583944647	1186965328	/nfs/dbraw/zinc/96/53/28/1186965328.db2.gz	RUTKAMISDQIMLS-NSHDSACASA-N	0	1	398.470	0.158	20	30		GCEDMN
C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC(=O)NCC#N)C1	ZINC001211618243	1187051522	/nfs/dbraw/zinc/05/15/22/1187051522.db2.gz	KBMYVDNHSCLHMR-RMRDIRSESA-N	0	1	386.452	0.014	20	30		GCEDMN
COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1	ZINC001211623541	1187098798	/nfs/dbraw/zinc/09/87/98/1187098798.db2.gz	KUXQLBLICAQSMY-GFOJFJKKSA-N	0	1	385.508	0.940	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1O	ZINC001023941993	1187182053	/nfs/dbraw/zinc/18/20/53/1187182053.db2.gz	KJUPXOGVNUTGBD-LIRZEXBASA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1O	ZINC001023958600	1187192791	/nfs/dbraw/zinc/19/27/91/1187192791.db2.gz	QVFAHSVDDUCHPW-VQHPVUNQSA-N	0	1	391.468	0.624	20	30		GCEDMN
COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1	ZINC000413894161	1187568079	/nfs/dbraw/zinc/56/80/79/1187568079.db2.gz	CEKYIXPZRQBBGB-MSOLQXFVSA-N	0	1	398.463	0.612	20	30		GCEDMN
COC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000413914614	1187582909	/nfs/dbraw/zinc/58/29/09/1187582909.db2.gz	GTPHNZTYOZEYHX-HNNXBMFYSA-N	0	1	382.424	0.503	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1	ZINC001024798477	1187623931	/nfs/dbraw/zinc/62/39/31/1187623931.db2.gz	SXCHLPBLEFMTBS-UWIFEVILSA-N	0	1	388.468	0.430	20	30		GCEDMN
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1	ZINC000472475076	1187624164	/nfs/dbraw/zinc/62/41/64/1187624164.db2.gz	DSEHSCFCGOHDAM-LJQANCHMSA-N	0	1	382.464	0.926	20	30		GCEDMN
C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414216943	1187767167	/nfs/dbraw/zinc/76/71/67/1187767167.db2.gz	BHILSDJTDPWMIO-JTQLQIEISA-N	0	1	395.416	0.888	20	30		GCEDMN
C=CCn1c(C2CC2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C	ZINC000414219141	1187768646	/nfs/dbraw/zinc/76/86/46/1187768646.db2.gz	HCMHUBSYVQTAKL-LLVKDONJSA-N	0	1	383.474	0.986	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC1	ZINC000613502782	1187771698	/nfs/dbraw/zinc/77/16/98/1187771698.db2.gz	AIJLSGGEHJABGQ-INIZCTEOSA-N	0	1	394.497	0.948	20	30		GCEDMN
N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)n1	ZINC000377946173	1189382235	/nfs/dbraw/zinc/38/22/35/1189382235.db2.gz	SGQONTOEDSAKGG-CQSZACIVSA-N	0	1	377.408	0.550	20	30		GCEDMN
C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)CN1CCO	ZINC000416292723	1189482606	/nfs/dbraw/zinc/48/26/06/1189482606.db2.gz	IZPARHCPUSBRHH-GJZGRUSLSA-N	0	1	394.497	0.092	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1	ZINC000296667593	1189724893	/nfs/dbraw/zinc/72/48/93/1189724893.db2.gz	GKVDRWFHDOPVTG-VBNZEHGJSA-N	0	1	375.425	0.981	20	30		GCEDMN
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1	ZINC000330160865	1189747095	/nfs/dbraw/zinc/74/70/95/1189747095.db2.gz	SKJKQOCLTLKYEZ-SNVBAGLBSA-N	0	1	389.382	0.476	20	30		GCEDMN
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1	ZINC000330160865	1189747101	/nfs/dbraw/zinc/74/71/01/1189747101.db2.gz	SKJKQOCLTLKYEZ-SNVBAGLBSA-N	0	1	389.382	0.476	20	30		GCEDMN
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1	ZINC000330160864	1189747639	/nfs/dbraw/zinc/74/76/39/1189747639.db2.gz	SKJKQOCLTLKYEZ-JTQLQIEISA-N	0	1	389.382	0.476	20	30		GCEDMN
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1	ZINC000330160864	1189747645	/nfs/dbraw/zinc/74/76/45/1189747645.db2.gz	SKJKQOCLTLKYEZ-JTQLQIEISA-N	0	1	389.382	0.476	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCc2ccccc2[C@H]1CO)c1cc[nH]n1	ZINC000278834160	1189768204	/nfs/dbraw/zinc/76/82/04/1189768204.db2.gz	VMBUKVNVGNZPIU-USCXLKSCSA-N	0	1	386.408	0.812	20	30		GCEDMN
C=C(C)CCNCc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1	ZINC001105289413	1189769007	/nfs/dbraw/zinc/76/90/07/1189769007.db2.gz	CAUFDNDSYPFISB-JCGIZDLHSA-N	0	1	375.473	0.769	20	30		GCEDMN
CN(C)CCCN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000136543298	1189960614	/nfs/dbraw/zinc/96/06/14/1189960614.db2.gz	KQDFWJUSRKLJKL-KRWDZBQOSA-N	0	1	378.498	0.938	20	30		GCEDMN
CN(C)CCCN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000136543255	1189963023	/nfs/dbraw/zinc/96/30/23/1189963023.db2.gz	KQDFWJUSRKLJKL-QGZVFWFLSA-N	0	1	378.498	0.938	20	30		GCEDMN
CN(CC(=O)Nc1nc(-c2ccncc2)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000433087386	1193746346	/nfs/dbraw/zinc/74/63/46/1193746346.db2.gz	AFDXWYNPPWVQNB-UHFFFAOYSA-N	0	1	397.420	0.998	20	30		GCEDMN
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000509902178	1193868712	/nfs/dbraw/zinc/86/87/12/1193868712.db2.gz	OMZAAPPDQCXRKW-UHFFFAOYSA-N	0	1	381.436	0.979	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1OCC	ZINC000982674736	1193870836	/nfs/dbraw/zinc/87/08/36/1193870836.db2.gz	WHCHUKHODAFVFR-WTTBNOFXSA-N	0	1	376.457	0.984	20	30		GCEDMN
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCCNc1ncccc1C#N	ZINC000729262428	1193909820	/nfs/dbraw/zinc/90/98/20/1193909820.db2.gz	MSMDTLCYLKYZTP-UHFFFAOYSA-N	0	1	390.407	0.985	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)C1=O	ZINC000513241109	1193927107	/nfs/dbraw/zinc/92/71/07/1193927107.db2.gz	PUXCZYMNMAZRRQ-CQSZACIVSA-N	0	1	388.424	0.818	20	30		GCEDMN
C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000280708846	1194015326	/nfs/dbraw/zinc/01/53/26/1194015326.db2.gz	JBFJKOGCWJVTRP-FXAWDEMLSA-N	0	1	387.459	0.732	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1OCC	ZINC000983127995	1194583762	/nfs/dbraw/zinc/58/37/62/1194583762.db2.gz	SDFASGSBPQXKPI-APIJFGDWSA-N	0	1	377.445	0.298	20	30		GCEDMN
CCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000422312441	1194617061	/nfs/dbraw/zinc/61/70/61/1194617061.db2.gz	SHXOTCXAJFFBND-HZPDHXFCSA-N	0	1	387.459	0.993	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@@H](C)N1	ZINC000423555724	1194766256	/nfs/dbraw/zinc/76/62/56/1194766256.db2.gz	GGNWTQABLOVYOS-VGWCWKRBSA-N	0	1	381.436	0.067	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000423744775	1194791204	/nfs/dbraw/zinc/79/12/04/1194791204.db2.gz	NDTMHJJGRIMTKT-LJQANCHMSA-N	0	1	383.496	0.803	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000423746842	1194791475	/nfs/dbraw/zinc/79/14/75/1194791475.db2.gz	PQWRDWQATJGJFS-MOPGFXCFSA-N	0	1	383.496	0.823	20	30		GCEDMN
C=CCCn1cc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)nn1	ZINC000424650923	1194827327	/nfs/dbraw/zinc/82/73/27/1194827327.db2.gz	UUVGJAQDSDPSTG-UHFFFAOYSA-N	0	1	384.488	0.976	20	30		GCEDMN
C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000516491580	1195057132	/nfs/dbraw/zinc/05/71/32/1195057132.db2.gz	BVCMVFYDDZFLEB-MLGOLLRUSA-N	0	1	398.510	0.249	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1CCC[C@@]2(CCCN(CC(=O)N(C)C)C2)C1	ZINC001270179256	1195077095	/nfs/dbraw/zinc/07/70/95/1195077095.db2.gz	JQBIUOZFFDVRGS-MAUKXSAKSA-N	0	1	384.546	0.214	20	30		GCEDMN
C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000516782341	1195094932	/nfs/dbraw/zinc/09/49/32/1195094932.db2.gz	OEVYTSBMSLOLAW-AWEZNQCLSA-N	0	1	387.465	0.993	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C1=O	ZINC000517817981	1195220443	/nfs/dbraw/zinc/22/04/43/1195220443.db2.gz	MLKYTPFEFSHRJQ-CQSZACIVSA-N	0	1	376.388	0.521	20	30		GCEDMN
Cc1n[nH]c(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1	ZINC000440123450	1195386909	/nfs/dbraw/zinc/38/69/09/1195386909.db2.gz	RTSWVGOKIRQIMS-UHFFFAOYSA-N	0	1	398.814	1.121	20	30		GCEDMN
Cc1ncc(S(=O)(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1C#N	ZINC000427306883	1195526796	/nfs/dbraw/zinc/52/67/96/1195526796.db2.gz	DGBZCCVAHNDKGX-OAHLLOKOSA-N	0	1	385.405	0.813	20	30		GCEDMN
CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1	ZINC000328632315	1195656866	/nfs/dbraw/zinc/65/68/66/1195656866.db2.gz	AFCYHNJCOOWAKJ-HOTGVXAUSA-N	0	1	388.534	0.226	20	30		GCEDMN
CS(=O)(=O)N1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccn3)CC2)C1	ZINC000328649609	1195657527	/nfs/dbraw/zinc/65/75/27/1195657527.db2.gz	ACSMBNQSDMPTOP-HNNXBMFYSA-N	0	1	395.529	0.831	20	30		GCEDMN
CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1	ZINC000328797480	1195668498	/nfs/dbraw/zinc/66/84/98/1195668498.db2.gz	FFIYYICMDQIKGC-HNNXBMFYSA-N	0	1	388.534	0.369	20	30		GCEDMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000328921888	1195680343	/nfs/dbraw/zinc/68/03/43/1195680343.db2.gz	BVFOKBVHSCFHID-HOTGVXAUSA-N	0	1	382.486	0.635	20	30		GCEDMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H]2CCN(C)C[C@@H]21	ZINC000328921888	1195680345	/nfs/dbraw/zinc/68/03/45/1195680345.db2.gz	BVFOKBVHSCFHID-HOTGVXAUSA-N	0	1	382.486	0.635	20	30		GCEDMN
CC[C@H]1CN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CCN1CCOC	ZINC000330434012	1195688556	/nfs/dbraw/zinc/68/85/56/1195688556.db2.gz	PPFBRDDRARRABI-INIZCTEOSA-N	0	1	390.550	0.615	20	30		GCEDMN
CC(C)(O)CN1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1	ZINC000331006498	1195717023	/nfs/dbraw/zinc/71/70/23/1195717023.db2.gz	SURVTMQWQVHAIY-UHFFFAOYSA-N	0	1	384.502	0.861	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1	ZINC000331221268	1195724517	/nfs/dbraw/zinc/72/45/17/1195724517.db2.gz	JUWOGEUWUMBAPM-OAHLLOKOSA-N	0	1	384.521	0.705	20	30		GCEDMN
CC(C)N1CCO[C@H](CN2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C1	ZINC000331313310	1195726800	/nfs/dbraw/zinc/72/68/00/1195726800.db2.gz	IEDYVFVQTPZAMB-QGZVFWFLSA-N	0	1	386.562	0.983	20	30		GCEDMN
Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(CC(C)(C)O)CC1	ZINC000331331563	1195726989	/nfs/dbraw/zinc/72/69/89/1195726989.db2.gz	HZPVBMXNMKMBBA-UHFFFAOYSA-N	0	1	384.502	0.445	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)nn1CCC#N	ZINC000427692705	1195867122	/nfs/dbraw/zinc/86/71/22/1195867122.db2.gz	AYEKEYBYGNMFIK-HNNXBMFYSA-N	0	1	388.472	0.755	20	30		GCEDMN
CNc1ccc(C#N)cc1NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	ZINC000507919481	1195872140	/nfs/dbraw/zinc/87/21/40/1195872140.db2.gz	HSCREMKJPNLYSL-UHFFFAOYSA-N	0	1	386.393	0.748	20	30		GCEDMN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(C#N)CCN(C)CC2)cc1	ZINC000520991205	1195947770	/nfs/dbraw/zinc/94/77/70/1195947770.db2.gz	OTTPAJXHHMDLFL-ZDUSSCGKSA-N	0	1	380.470	0.466	20	30		GCEDMN
C=CCN(C(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)[C@H]1CCS(=O)(=O)C1	ZINC000521532242	1196000402	/nfs/dbraw/zinc/00/04/02/1196000402.db2.gz	WMQMSVRORJOZPB-STQMWFEESA-N	0	1	390.465	0.883	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN2CCC(O)CC2)c1	ZINC000443160598	1196023634	/nfs/dbraw/zinc/02/36/34/1196023634.db2.gz	POYOEQNZOCHNDV-UHFFFAOYSA-N	0	1	381.498	0.728	20	30		GCEDMN
C#CC1(O)CN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)C1	ZINC000895200544	1196053158	/nfs/dbraw/zinc/05/31/58/1196053158.db2.gz	RQIKVOIJAOVCRI-UHFFFAOYSA-N	0	1	398.507	0.747	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnc(OC)c(C(N)=O)c2)c1	ZINC000474394688	1196113572	/nfs/dbraw/zinc/11/35/72/1196113572.db2.gz	RWHFFNKMWPSULY-UHFFFAOYSA-N	0	1	390.421	0.906	20	30		GCEDMN
O=C(NCC#C[C@@H]1CCCCO1)N[C@H]1CCCN(CCN2CCOCC2)C1	ZINC000896468653	1196149280	/nfs/dbraw/zinc/14/92/80/1196149280.db2.gz	BHVHGGQBWSVGMP-OALUTQOASA-N	0	1	378.517	0.655	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](N3CCOCC3)C[C@@H]2C)CC1	ZINC000329079295	1196161671	/nfs/dbraw/zinc/16/16/71/1196161671.db2.gz	QUFJOBUMKMWUJJ-OTWHNJEPSA-N	0	1	377.533	0.474	20	30		GCEDMN
NS(=O)(=O)[C@H]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1	ZINC000329142835	1196168001	/nfs/dbraw/zinc/16/80/01/1196168001.db2.gz	LOZJFQATVZUCRU-HNNXBMFYSA-N	0	1	388.534	0.341	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1	ZINC000896575930	1196169363	/nfs/dbraw/zinc/16/93/63/1196169363.db2.gz	DIEIEBWLKSRMBS-WMLDXEAASA-N	0	1	380.514	0.515	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)C1=O	ZINC000329165049	1196171317	/nfs/dbraw/zinc/17/13/17/1196171317.db2.gz	HHNZBRJUEPKJRP-KRWDZBQOSA-N	0	1	398.467	0.833	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)C1=O	ZINC000329186810	1196173649	/nfs/dbraw/zinc/17/36/49/1196173649.db2.gz	PYRBRCXWPFJTKC-INIZCTEOSA-N	0	1	384.436	0.934	20	30		GCEDMN
O=C(NCC(=O)N1CCOCC1)NCC1(CN2CCOCC2)CCCCC1	ZINC000329203612	1196175730	/nfs/dbraw/zinc/17/57/30/1196175730.db2.gz	CTGQXIBHLOVRED-UHFFFAOYSA-N	0	1	382.505	0.632	20	30		GCEDMN
Cc1cc(C)n(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(=O)n1	ZINC000329215764	1196177058	/nfs/dbraw/zinc/17/70/58/1196177058.db2.gz	NGKHFVSBZXCDMB-MQVJKMGUSA-N	0	1	375.473	0.900	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)NCc2cccc(CN3CCOCC3)c2)C1	ZINC000329221054	1196177801	/nfs/dbraw/zinc/17/78/01/1196177801.db2.gz	BUAQZBDWQPXYRI-IBGZPJMESA-N	0	1	375.517	0.768	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000329289404	1196182730	/nfs/dbraw/zinc/18/27/30/1196182730.db2.gz	QIJGTNCKKCSJPN-HUUCEWRRSA-N	0	1	387.550	0.083	20	30		GCEDMN
COCCN1CC[C@@H](NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1	ZINC000329287175	1196182989	/nfs/dbraw/zinc/18/29/89/1196182989.db2.gz	MIHRTOZOHXLLSR-OAHLLOKOSA-N	0	1	397.497	0.733	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CC2	ZINC000329345281	1196187378	/nfs/dbraw/zinc/18/73/78/1196187378.db2.gz	QVWSTVBFBPBWRW-QWHCGFSZSA-N	0	1	384.506	0.596	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1	ZINC000329346413	1196187589	/nfs/dbraw/zinc/18/75/89/1196187589.db2.gz	CYZPIAPBZZXSKV-AWEZNQCLSA-N	0	1	399.492	0.937	20	30		GCEDMN
CN(CC(=O)NC[C@@H]1CN(C)CCN1C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000329393544	1196191841	/nfs/dbraw/zinc/19/18/41/1196191841.db2.gz	WFTLTJWOVNKGTE-OAHLLOKOSA-N	0	1	379.486	0.381	20	30		GCEDMN
Cc1nnc2n1C[C@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C3CC3)C1)CC2	ZINC000329398224	1196192397	/nfs/dbraw/zinc/19/23/97/1196192397.db2.gz	YBYDURVGZZMIME-UONOGXRCSA-N	0	1	396.517	0.609	20	30		GCEDMN
CCC1(CC)NC(=O)N(CC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)C1=O	ZINC000329403816	1196192913	/nfs/dbraw/zinc/19/29/13/1196192913.db2.gz	CGVNZJJLOPGRNK-CQSZACIVSA-N	0	1	393.488	0.953	20	30		GCEDMN
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CCCN(S(=O)(=O)C3CC3)C1)CC2	ZINC000329403178	1196192978	/nfs/dbraw/zinc/19/29/78/1196192978.db2.gz	ZSALQZQUPJMBOC-CHWSQXEVSA-N	0	1	382.490	0.362	20	30		GCEDMN
O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329472264	1196199572	/nfs/dbraw/zinc/19/95/72/1196199572.db2.gz	AFEYKUQNIXAMPG-HUUCEWRRSA-N	0	1	397.501	0.307	20	30		GCEDMN
CN(C[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1)S(C)(=O)=O	ZINC000329509981	1196201886	/nfs/dbraw/zinc/20/18/86/1196201886.db2.gz	XHCMXEZTWODUJI-CABCVRRESA-N	0	1	383.518	0.963	20	30		GCEDMN
Cc1cc(N2CCC[C@H](NC(=O)N3CCN(C[C@H](C)O)C[C@@H]3C)C2)n(C)n1	ZINC000329510679	1196202146	/nfs/dbraw/zinc/20/21/46/1196202146.db2.gz	MSIWLNAOFQVWLC-ULQDDVLXSA-N	0	1	378.521	0.998	20	30		GCEDMN
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCN(C(=O)[C@H]3CCCO3)CC1)CC2	ZINC000329642255	1196214850	/nfs/dbraw/zinc/21/48/50/1196214850.db2.gz	INTCBSUZEQVFLI-LSDHHAIUSA-N	0	1	376.461	0.386	20	30		GCEDMN
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCN(C(=O)[C@@H]3CCCO3)CC1)CC2	ZINC000329642242	1196214958	/nfs/dbraw/zinc/21/49/58/1196214958.db2.gz	INTCBSUZEQVFLI-GJZGRUSLSA-N	0	1	376.461	0.386	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C[C@H]1C	ZINC000329722470	1196227216	/nfs/dbraw/zinc/22/72/16/1196227216.db2.gz	AYXKWABLGCREBH-HLLBOEOZSA-N	0	1	375.473	0.878	20	30		GCEDMN
Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CCO2)n[nH]1	ZINC000329758551	1196230039	/nfs/dbraw/zinc/23/00/39/1196230039.db2.gz	NRZQJLKBYINKJZ-GJZGRUSLSA-N	0	1	385.428	0.991	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cn2)CC1	ZINC000329768451	1196230370	/nfs/dbraw/zinc/23/03/70/1196230370.db2.gz	GQWVNKVYYCHPAK-INIZCTEOSA-N	0	1	387.488	0.551	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@H]1CN1CCOCC1)CC2	ZINC000329857994	1196234734	/nfs/dbraw/zinc/23/47/34/1196234734.db2.gz	ZSWFZKVUWGIUBE-CVEARBPZSA-N	0	1	392.504	0.840	20	30		GCEDMN
Cc1[nH]ncc1CNC(=O)N1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1	ZINC000329907205	1196237918	/nfs/dbraw/zinc/23/79/18/1196237918.db2.gz	KRNRSWAXKAFTJM-AWEZNQCLSA-N	0	1	375.433	0.063	20	30		GCEDMN
O=C(NC[C@@H]1CCc2nccn2C1)N1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000329928238	1196239866	/nfs/dbraw/zinc/23/98/66/1196239866.db2.gz	XTTPYYXALFVRLU-LSDHHAIUSA-N	0	1	381.502	0.859	20	30		GCEDMN
Cn1cccc(N=C([O-])N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1=O	ZINC000329948926	1196241735	/nfs/dbraw/zinc/24/17/35/1196241735.db2.gz	ZNBUKDZIWRVGQU-UHFFFAOYSA-N	0	1	375.473	0.807	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CC(=O)N(C4CC4)C3)cn2)CC1	ZINC000330256302	1196261980	/nfs/dbraw/zinc/26/19/80/1196261980.db2.gz	QAAALYJWWHWGOC-INIZCTEOSA-N	0	1	386.500	0.990	20	30		GCEDMN
C=CCN1CC[C@@H](N(C)C[C@H](O)COc2ccc(C(=O)OC)cc2OC)C1=O	ZINC000281370299	1196292002	/nfs/dbraw/zinc/29/20/02/1196292002.db2.gz	OLDWVJSOFXHING-JKSUJKDBSA-N	0	1	392.452	0.940	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1Cc2n[nH]c(C(=O)N3CCCC34CC4)c2C1	ZINC001271272644	1196293675	/nfs/dbraw/zinc/29/36/75/1196293675.db2.gz	RWETWLGABZGUTB-ZDUSSCGKSA-N	0	1	377.470	0.455	20	30		GCEDMN
N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1	ZINC000475436407	1196417480	/nfs/dbraw/zinc/41/74/80/1196417480.db2.gz	XORQYAILFOVGDI-UHFFFAOYSA-N	0	1	396.454	0.333	20	30		GCEDMN
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H](c4nc[nH]n4)C3)C2=O)cc1	ZINC000575390243	1196436455	/nfs/dbraw/zinc/43/64/55/1196436455.db2.gz	QJRFZPICMGOLTD-JKSUJKDBSA-N	0	1	379.424	0.976	20	30		GCEDMN
C#CCCN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1	ZINC000301982291	1196437552	/nfs/dbraw/zinc/43/75/52/1196437552.db2.gz	JOOOIOMILKBRKG-UHFFFAOYSA-N	0	1	377.514	0.163	20	30		GCEDMN
COCCO[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000444747605	1196518869	/nfs/dbraw/zinc/51/88/69/1196518869.db2.gz	BETPNFPYNVJJCK-OAHLLOKOSA-N	0	1	377.445	0.241	20	30		GCEDMN
COC[C@@](C)(CC(=O)OC)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000440545692	1196521385	/nfs/dbraw/zinc/52/13/85/1196521385.db2.gz	DWLNKMDQXQEGRL-GOSISDBHSA-N	0	1	393.444	0.061	20	30		GCEDMN
CC(=O)NCC(=O)N1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000528730871	1196882960	/nfs/dbraw/zinc/88/29/60/1196882960.db2.gz	VHJWCFAGIRMVIG-SFHVURJKSA-N	0	1	388.468	0.163	20	30		GCEDMN
CC(=O)NCC(=O)N1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000528730870	1196883394	/nfs/dbraw/zinc/88/33/94/1196883394.db2.gz	VHJWCFAGIRMVIG-GOSISDBHSA-N	0	1	388.468	0.163	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000451608197	1197000404	/nfs/dbraw/zinc/00/04/04/1197000404.db2.gz	RJUUDAYCOJEFLZ-KGLIPLIRSA-N	0	1	383.470	0.817	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)N[C@H](C)Cc1ccccc1C	ZINC000453029184	1197094829	/nfs/dbraw/zinc/09/48/29/1197094829.db2.gz	PCOVGHJKLCUTQG-CYBMUJFWSA-N	0	1	378.454	0.999	20	30		GCEDMN
Cn1c2ncc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2c(=O)n(C)c1=O	ZINC000041507061	1197301834	/nfs/dbraw/zinc/30/18/34/1197301834.db2.gz	KHPKNGUBNOIEBR-ZDUSSCGKSA-N	0	1	393.407	0.440	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000171117152	1197312028	/nfs/dbraw/zinc/31/20/28/1197312028.db2.gz	VPWUJZPUROSYII-UHFFFAOYSA-N	0	1	392.463	0.751	20	30		GCEDMN
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)c1nc(-c2cc(C#N)ccc2F)no1	ZINC001211969071	1197394843	/nfs/dbraw/zinc/39/48/43/1197394843.db2.gz	PMWUDUGESFSWPW-HZMBPMFUSA-N	0	1	386.387	0.874	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)n(CCC#N)n1	ZINC000533466728	1197453472	/nfs/dbraw/zinc/45/34/72/1197453472.db2.gz	PUADQCWSABPKKJ-OAHLLOKOSA-N	0	1	376.461	0.517	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)n(CCC#N)n1	ZINC000533467376	1197453475	/nfs/dbraw/zinc/45/34/75/1197453475.db2.gz	DGNQTESAVJQXQB-GASCZTMLSA-N	0	1	376.461	0.659	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1	ZINC000533572784	1197459057	/nfs/dbraw/zinc/45/90/57/1197459057.db2.gz	BWMQUHMLDXCXRB-CYBMUJFWSA-N	0	1	376.442	0.684	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)C1=O	ZINC000262086433	1197522084	/nfs/dbraw/zinc/52/20/84/1197522084.db2.gz	UBALCPWNZKRWRU-CQSZACIVSA-N	0	1	390.827	0.790	20	30		GCEDMN
C#CC[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1	ZINC000271733253	1197559021	/nfs/dbraw/zinc/55/90/21/1197559021.db2.gz	SSVZIYWMVPROGC-MOPGFXCFSA-N	0	1	389.521	0.672	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C3)CC1	ZINC001003681401	1199625000	/nfs/dbraw/zinc/62/50/00/1199625000.db2.gz	ALWMQJIEEWONFG-DZRGKWQISA-N	0	1	389.496	0.384	20	30		GCEDMN
Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc(SCCO)n[nH]3)CC2)o1	ZINC000555282445	1199842349	/nfs/dbraw/zinc/84/23/49/1199842349.db2.gz	WCWIRHFOWPWVOV-UHFFFAOYSA-N	0	1	377.430	0.912	20	30		GCEDMN
Cc1cc(N2CC[C@H](NS(=O)(=O)c3c(F)cc(C#N)cc3F)C2=O)n(C)n1	ZINC000125741365	1199894151	/nfs/dbraw/zinc/89/41/51/1199894151.db2.gz	GJPQHQKJKBKTGX-ZDUSSCGKSA-N	0	1	395.391	0.962	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1	ZINC000282418620	1199918860	/nfs/dbraw/zinc/91/88/60/1199918860.db2.gz	BIRWWYGURKXWRJ-QGZVFWFLSA-N	0	1	379.530	0.873	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)[C@H](OC)C2)CC1	ZINC000946811915	1200156326	/nfs/dbraw/zinc/15/63/26/1200156326.db2.gz	QHNVQMGEDIAXES-DDBAPUKQSA-N	0	1	377.485	0.099	20	30		GCEDMN
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000367831182	1200899166	/nfs/dbraw/zinc/89/91/66/1200899166.db2.gz	JTBNNFLSVKJTDI-CQSZACIVSA-N	0	1	384.415	1.422	20	30		GCEDMN
CO[C@@H]1CN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H]1c1c[nH]nn1	ZINC000596839081	1200919927	/nfs/dbraw/zinc/91/99/27/1200919927.db2.gz	IVWFXTXYJYNXKE-DZGCQCFKSA-N	0	1	393.411	1.212	20	30		GCEDMN
CO[C@@H]1CN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H]1c1cnn[nH]1	ZINC000596839081	1200919929	/nfs/dbraw/zinc/91/99/29/1200919929.db2.gz	IVWFXTXYJYNXKE-DZGCQCFKSA-N	0	1	393.411	1.212	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCNC(=O)c1n[nH]c2ccccc21	ZINC000553380307	1201100841	/nfs/dbraw/zinc/10/08/41/1201100841.db2.gz	MVZUCXFKIWGLQN-UHFFFAOYSA-N	0	1	394.439	0.951	20	30		GCEDMN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCN(C)CC2)cc1	ZINC000429465554	1201120920	/nfs/dbraw/zinc/12/09/20/1201120920.db2.gz	GSNFQGKNVTUFOF-OAHLLOKOSA-N	0	1	387.484	0.293	20	30		GCEDMN
Cc1ccc2nc(CNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)[nH]c2c1	ZINC000582896751	1201140741	/nfs/dbraw/zinc/14/07/41/1201140741.db2.gz	SEGUNPPYRHVYTP-UHFFFAOYSA-N	0	1	394.439	0.756	20	30		GCEDMN
CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1	ZINC000611358917	1201234150	/nfs/dbraw/zinc/23/41/50/1201234150.db2.gz	UPLHULRDFVQFHF-UHFFFAOYSA-N	0	1	389.504	0.590	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C(=O)N2CCCC2)C(C)C)CC1	ZINC000611395339	1201236116	/nfs/dbraw/zinc/23/61/16/1201236116.db2.gz	GMPALWWWXQZTBG-HKUYNNGSSA-N	0	1	377.533	0.915	20	30		GCEDMN
C#CCN1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]32)CC1	ZINC001079165211	1201248725	/nfs/dbraw/zinc/24/87/25/1201248725.db2.gz	JBQIUUZCZVEWMJ-SXWOMNNJSA-N	0	1	398.507	0.502	20	30		GCEDMN
C#CCNC(=O)[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O	ZINC000728106309	1201398319	/nfs/dbraw/zinc/39/83/19/1201398319.db2.gz	VHGFABLHMVHIRG-JTQLQIEISA-N	0	1	381.410	0.311	20	30		GCEDMN
O=S1(=O)[N-]C(=NN=C2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21	ZINC000731559236	1201488086	/nfs/dbraw/zinc/48/80/86/1201488086.db2.gz	VULPQFJVTMFGFC-UHFFFAOYSA-N	0	1	391.497	0.509	20	30		GCEDMN
Cn1c(=O)c2ccc(C(=O)NCCNC(=O)C3N=CC=CC3=O)cc2[nH]c1=S	ZINC000731889605	1201508388	/nfs/dbraw/zinc/50/83/88/1201508388.db2.gz	PSUXOYHZTHHUCK-JQIJEIRASA-N	0	1	399.432	0.478	20	30		GCEDMN
N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000733856059	1201610706	/nfs/dbraw/zinc/61/07/06/1201610706.db2.gz	PYWXPIRKGWLGDW-UHFFFAOYSA-N	0	1	376.380	0.701	20	30		GCEDMN
N#Cc1ccc([C@H](NCC2CCN(S(=O)(=O)C(F)F)CC2)C(N)=O)cc1	ZINC000734506049	1201654626	/nfs/dbraw/zinc/65/46/26/1201654626.db2.gz	AORGTFDVAABMOA-AWEZNQCLSA-N	0	1	386.424	0.939	20	30		GCEDMN
C[C@H](C#N)Oc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1	ZINC000734843495	1201664125	/nfs/dbraw/zinc/66/41/25/1201664125.db2.gz	LUIZWETUJYOMRJ-ZTFGCOKTSA-N	0	1	379.482	0.565	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1	ZINC000735116374	1201679474	/nfs/dbraw/zinc/67/94/74/1201679474.db2.gz	JDFCGDLXWSULGS-DTQAZKPQSA-N	0	1	385.405	0.880	20	30		GCEDMN
CC(C)(O)CN1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000740759247	1201749485	/nfs/dbraw/zinc/74/94/85/1201749485.db2.gz	WBFBYVCRDCFCNL-HXUWFJFHSA-N	0	1	385.468	0.671	20	30		GCEDMN
N#Cc1ccccc1CN1C(=O)CN(CN2CC[C@@H](CN3CCOCC3)C2)C1=O	ZINC000742162139	1201791236	/nfs/dbraw/zinc/79/12/36/1201791236.db2.gz	QSTDRNRCWOLVOG-KRWDZBQOSA-N	0	1	397.479	0.934	20	30		GCEDMN
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H](CN3CCOCC3)C2)C1=O	ZINC000742161683	1201791304	/nfs/dbraw/zinc/79/13/04/1201791304.db2.gz	MSFDMOWAINOKIZ-LAUBAEHRSA-N	0	1	397.479	0.937	20	30		GCEDMN
C[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000742646580	1201803711	/nfs/dbraw/zinc/80/37/11/1201803711.db2.gz	QOJRNJZFDWRSFG-ZDUSSCGKSA-N	0	1	389.481	0.608	20	30		GCEDMN
N#CCn1cc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)cn1	ZINC000746355367	1201912932	/nfs/dbraw/zinc/91/29/32/1201912932.db2.gz	FPKNGICJJRGACC-UHFFFAOYSA-N	0	1	376.486	0.823	20	30		GCEDMN
N#CCn1cc(NC(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)cn1	ZINC000746437163	1201922585	/nfs/dbraw/zinc/92/25/85/1201922585.db2.gz	UFHWOYAJRBTLRP-UHFFFAOYSA-N	0	1	388.472	0.744	20	30		GCEDMN
CCOC(=O)COc1c(C#N)cc(Br)cc1-n1nnnc1CN	ZINC001168924725	1201928604	/nfs/dbraw/zinc/92/86/04/1201928604.db2.gz	QNKBECYDZQUXJU-UHFFFAOYSA-N	0	1	381.190	0.697	20	30		GCEDMN
CCCCOc1ccccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000767386975	1201972491	/nfs/dbraw/zinc/97/24/91/1201972491.db2.gz	HEXKBXYOQBJKSR-UHFFFAOYSA-N	0	1	394.453	0.575	20	30		GCEDMN
C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)nnn2C	ZINC001109168475	1202000010	/nfs/dbraw/zinc/00/00/10/1202000010.db2.gz	YJNLLRQFTVGHAQ-VKJFTORMSA-N	0	1	380.452	0.329	20	30		GCEDMN
C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[N-]C(=O)C(F)(F)F	ZINC001109270869	1202010323	/nfs/dbraw/zinc/01/03/23/1202010323.db2.gz	VIRAHDDLZIMABE-RDBSUJKOSA-N	0	1	375.391	0.816	20	30		GCEDMN
C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC[N-]C(=O)C(F)(F)F	ZINC001109270869	1202010325	/nfs/dbraw/zinc/01/03/25/1202010325.db2.gz	VIRAHDDLZIMABE-RDBSUJKOSA-N	0	1	375.391	0.816	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)N(C)C	ZINC001109304238	1202018423	/nfs/dbraw/zinc/01/84/23/1202018423.db2.gz	QIFVNIXTGVPPDK-ZBRFXRBCSA-N	0	1	399.557	0.971	20	30		GCEDMN
C#CCNC(=O)C1CCN(Cc2cc(OC)c(OCC(N)=O)c(OC)c2)CC1	ZINC000769025438	1202041231	/nfs/dbraw/zinc/04/12/31/1202041231.db2.gz	NSNJGOLNHCGOIJ-UHFFFAOYSA-N	0	1	389.452	0.529	20	30		GCEDMN
C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CN1CCOCC1)C2	ZINC001109449532	1202052285	/nfs/dbraw/zinc/05/22/85/1202052285.db2.gz	ZGQCBAKTEGQFPA-IKGGRYGDSA-N	0	1	378.517	0.369	20	30		GCEDMN
C#CCN1CCN(C(=O)CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1	ZINC000746502888	1202098254	/nfs/dbraw/zinc/09/82/54/1202098254.db2.gz	JTMMSDJOFBQZFF-UHFFFAOYSA-N	0	1	383.496	0.818	20	30		GCEDMN
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC[C@H]2CCCO2)nn1	ZINC001109814101	1202129066	/nfs/dbraw/zinc/12/90/66/1202129066.db2.gz	MBPLWYUFDCWZGK-CBZIJGRNSA-N	0	1	375.473	0.995	20	30		GCEDMN
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COCC(C)C)nn1	ZINC001109814323	1202129081	/nfs/dbraw/zinc/12/90/81/1202129081.db2.gz	YBCADRITZFICGP-CBZIJGRNSA-N	0	1	377.489	0.833	20	30		GCEDMN
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)N(C)C)C2	ZINC001109966401	1202164243	/nfs/dbraw/zinc/16/42/43/1202164243.db2.gz	OYEWWEBHZAANTB-MDPIYQRISA-N	0	1	382.508	0.934	20	30		GCEDMN
CCc1nc2c(s1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2	ZINC000771889306	1202166354	/nfs/dbraw/zinc/16/63/54/1202166354.db2.gz	APLAJFSOAPIVPV-UHFFFAOYSA-N	0	1	397.482	0.122	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2C[C@H](c3ccccc3)C2(C)C)c(=O)n(C)c1=O	ZINC000771891256	1202167617	/nfs/dbraw/zinc/16/76/17/1202167617.db2.gz	UGEHUWUPSVKPIR-CYBMUJFWSA-N	0	1	390.465	0.932	20	30		GCEDMN
CC(CCc1ccccc1F)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771890998	1202168244	/nfs/dbraw/zinc/16/82/44/1202168244.db2.gz	QKKRIIVZZKMANQ-UHFFFAOYSA-N	0	1	382.417	0.510	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C(C)C)cc1	ZINC000771890986	1202168311	/nfs/dbraw/zinc/16/83/11/1202168311.db2.gz	QJKVISIGVNWMIX-UHFFFAOYSA-N	0	1	378.454	0.910	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2C[C@@H](c3ccccc3)C2(C)C)c(=O)n(C)c1=O	ZINC000771891259	1202168406	/nfs/dbraw/zinc/16/84/06/1202168406.db2.gz	UGEHUWUPSVKPIR-ZDUSSCGKSA-N	0	1	390.465	0.932	20	30		GCEDMN
CCO[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C12CCCCC2	ZINC000771898315	1202168810	/nfs/dbraw/zinc/16/88/10/1202168810.db2.gz	WSZXCAQNQMMAHX-AWEZNQCLSA-N	0	1	398.485	0.478	20	30		GCEDMN
CCSc1ccccc1C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771897696	1202168941	/nfs/dbraw/zinc/16/89/41/1202168941.db2.gz	QKTRWSFNKINHHG-UHFFFAOYSA-N	0	1	396.494	0.899	20	30		GCEDMN
Cc1ccc([C@@H]2CCCC2=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771898514	1202168983	/nfs/dbraw/zinc/16/89/83/1202168983.db2.gz	ZBJGOBUVFPXVDM-AWEZNQCLSA-N	0	1	390.465	0.994	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(C)nn(C(C)C)c1C	ZINC000771898268	1202169001	/nfs/dbraw/zinc/16/90/01/1202169001.db2.gz	WIQOCTIVWNGSKT-UHFFFAOYSA-N	0	1	396.473	0.181	20	30		GCEDMN
CCO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C12CCCCC2	ZINC000771898326	1202169144	/nfs/dbraw/zinc/16/91/44/1202169144.db2.gz	WSZXCAQNQMMAHX-CQSZACIVSA-N	0	1	398.485	0.478	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1	ZINC000772116336	1202174882	/nfs/dbraw/zinc/17/48/82/1202174882.db2.gz	QNICIIXNUBRKCW-UHFFFAOYSA-N	0	1	386.387	0.628	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772114960	1202174937	/nfs/dbraw/zinc/17/49/37/1202174937.db2.gz	SATIPRFQIVBOFX-JKSUJKDBSA-N	0	1	384.498	0.203	20	30		GCEDMN
CCCn1cc(NC(=O)C(=NOCC(=O)OCC)c2ccn[nH]2)ccc1=O	ZINC000772124219	1202175230	/nfs/dbraw/zinc/17/52/30/1202175230.db2.gz	RBIFXBFLLBULBT-UHFFFAOYSA-N	0	1	375.385	0.904	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC(CC(=O)OC)CC1)c1cc[nH]n1	ZINC000772150294	1202175888	/nfs/dbraw/zinc/17/58/88/1202175888.db2.gz	UMTBFSRJXLPTBH-UHFFFAOYSA-N	0	1	380.401	0.495	20	30		GCEDMN
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CCOC(=O)CON=C(C(=O)NC1CCN(CC(F)F)CC1)c1ccn[nH]1	ZINC000772158340	1202176240	/nfs/dbraw/zinc/17/62/40/1202176240.db2.gz	YAVPFGKVEDRSON-UHFFFAOYSA-N	0	1	387.387	0.539	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CCCO1	ZINC000787734686	1205401555	/nfs/dbraw/zinc/40/15/55/1205401555.db2.gz	CRHQYOLIZXKBNV-XUVXKRRUSA-N	0	1	398.507	0.388	20	30		GCEDMN
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C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@H]1c1cncn1C	ZINC001131026104	1205588560	/nfs/dbraw/zinc/58/85/60/1205588560.db2.gz	VCVKDWQRINTMTG-QBPKDAKJSA-N	0	1	385.512	0.736	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCO1	ZINC000807855379	1205591369	/nfs/dbraw/zinc/59/13/69/1205591369.db2.gz	ISUINDZASBVSAD-ZWKOTPCHSA-N	0	1	391.512	0.682	20	30		GCEDMN
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C#C[C@@H](NC(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1)[C@@H]1CCCO1	ZINC000809307325	1205621724	/nfs/dbraw/zinc/62/17/24/1205621724.db2.gz	CJGADOKEAMSTEU-MOPGFXCFSA-N	0	1	391.512	0.634	20	30		GCEDMN
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CCOC(=O)CON=C(C(=O)N1CCC[C@H](CCNC(C)=O)C1)c1cc[nH]n1	ZINC000813701704	1205679688	/nfs/dbraw/zinc/67/96/88/1205679688.db2.gz	MCARYSZADZQGNE-CQSZACIVSA-N	0	1	393.444	0.458	20	30		GCEDMN
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COC(=O)CCN(CC#N)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1	ZINC001171920088	1205710534	/nfs/dbraw/zinc/71/05/34/1205710534.db2.gz	VTSGRQSBCYIEPQ-UHFFFAOYSA-N	0	1	399.425	0.604	20	30		GCEDMN
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1	ZINC001171943410	1205710790	/nfs/dbraw/zinc/71/07/90/1205710790.db2.gz	RWHSNDUPXLVCQT-OIISXLGYSA-N	0	1	385.468	0.457	20	30		GCEDMN
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1	ZINC001171943410	1205710791	/nfs/dbraw/zinc/71/07/91/1205710791.db2.gz	RWHSNDUPXLVCQT-OIISXLGYSA-N	0	1	385.468	0.457	20	30		GCEDMN
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@H](C)CCCC#N)C(=O)NCC(N)=O	ZINC001172501963	1205716271	/nfs/dbraw/zinc/71/62/71/1205716271.db2.gz	SLLRMBAPLYMKTF-PMPSAXMXSA-N	0	1	379.505	0.666	20	30		GCEDMN
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[NH3+]CCC[N@@H+](C[C@H](S)OP(=O)([O-])[O-])[C@H]1CCC[C@@H](n2ncnn2)C1	ZINC001173750209	1205727163	/nfs/dbraw/zinc/72/71/63/1205727163.db2.gz	MUXWQMWUHFOOOY-TUAOUCFPSA-N	0	1	380.411	0.173	20	30		GCEDMN
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C#CCCCC(=O)NCCCN1CCN(c2ncccc2-c2nn[nH]n2)CC1	ZINC001573283400	946715540	/nfs/dbraw/zinc/71/55/40/946715540.db2.gz	IHTBJEONVNPVBV-UHFFFAOYSA-N	0	1	382.472	0.694	20	30		GCEDMN
C#CCCCC(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2	ZINC001573284602	946752741	/nfs/dbraw/zinc/75/27/41/946752741.db2.gz	HBMXVROQFISMHR-SFHVURJKSA-N	0	1	382.428	0.268	20	30		GCEDMN
C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21	ZINC001573285654	946785414	/nfs/dbraw/zinc/78/54/14/946785414.db2.gz	KNFJOQHGTDMVCO-GRDNDAEWSA-N	0	1	381.440	0.646	20	30		GCEDMN
C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2-c2nn[nH]n2)C1	ZINC001573287291	946833173	/nfs/dbraw/zinc/83/31/73/946833173.db2.gz	MSEULNUVDGJVLK-YWZLYKJASA-N	0	1	395.467	0.764	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nc1	ZINC001573287495	946836926	/nfs/dbraw/zinc/83/69/26/946836926.db2.gz	ISNACDXBPWZZSI-SFHVURJKSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1	ZINC001573287532	946841741	/nfs/dbraw/zinc/84/17/41/946841741.db2.gz	JJUUICGDPSFEDX-CHWSQXEVSA-N	0	1	376.424	0.987	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)nc1	ZINC001573287746	946847302	/nfs/dbraw/zinc/84/73/02/946847302.db2.gz	KUKQJSJAYJZWGB-AWEZNQCLSA-N	0	1	389.423	0.562	20	30		GCEDMN
C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1	ZINC001573287866	946850414	/nfs/dbraw/zinc/85/04/14/946850414.db2.gz	LSYMLMLBMRJNTA-LBPRGKRZSA-N	0	1	376.424	0.989	20	30		GCEDMN
C#Cc1ccc(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)nc1	ZINC001573288131	946857258	/nfs/dbraw/zinc/85/72/58/946857258.db2.gz	OIEMEOKTGCHGEI-CQSZACIVSA-N	0	1	375.396	0.075	20	30		GCEDMN
C#Cc1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)cn1	ZINC001573290103	946898432	/nfs/dbraw/zinc/89/84/32/946898432.db2.gz	UNNITCJYKDVCHO-FZMZJTMJSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#CCOCCC(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21	ZINC001573290310	946903411	/nfs/dbraw/zinc/90/34/11/946903411.db2.gz	WDCSCCWIOARTFW-HWWDLCQESA-N	0	1	384.415	0.592	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573292345	946933261	/nfs/dbraw/zinc/93/32/61/946933261.db2.gz	UJIKQOPUDLBPDP-HIFRSBDPSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1	ZINC001573292327	946934351	/nfs/dbraw/zinc/93/43/51/946934351.db2.gz	TZHJPHDYECGEET-RISCZKNCSA-N	0	1	375.396	0.170	20	30		GCEDMN
C=C1CC(C)(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)C1	ZINC001573297757	947066396	/nfs/dbraw/zinc/06/63/96/947066396.db2.gz	LDRBKAZOXKDPNH-UHFFFAOYSA-N	0	1	383.456	0.805	20	30		GCEDMN
C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573298339	947073552	/nfs/dbraw/zinc/07/35/52/947073552.db2.gz	OSPUVGXRJMYBIR-CHWSQXEVSA-N	0	1	384.444	0.463	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573570790	947093610	/nfs/dbraw/zinc/09/36/10/947093610.db2.gz	UFOQYQRJUYZRQU-HTQZYQBOSA-N	0	1	382.837	0.776	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573578165	947182095	/nfs/dbraw/zinc/18/20/95/947182095.db2.gz	ZFQQEQPHHXSBAE-WPPNPWJKSA-N	0	1	382.837	0.194	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2	ZINC001573309184	947191940	/nfs/dbraw/zinc/19/19/40/947191940.db2.gz	DQLRBQYZSOKXRB-ZNZDAUKMSA-N	0	1	398.471	0.849	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2	ZINC001573586087	947278063	/nfs/dbraw/zinc/27/80/63/947278063.db2.gz	ZGFXLYBIVVIABY-LBPRGKRZSA-N	0	1	389.423	0.995	20	30		GCEDMN
CCS(=O)(=O)c1ccc2oc(Cn3cnc(-c4nn[nH]n4)c3C#N)nc2c1	ZINC000825669490	947287467	/nfs/dbraw/zinc/28/74/67/947287467.db2.gz	YZBFCRFFFFTXRV-UHFFFAOYSA-N	0	1	384.381	0.918	20	30		GCEDMN
C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573337026	947513024	/nfs/dbraw/zinc/51/30/24/947513024.db2.gz	SUHYIKFXDGOZEO-UONOGXRCSA-N	0	1	386.460	0.853	20	30		GCEDMN
C=CCOCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1	ZINC001573342862	947547726	/nfs/dbraw/zinc/54/77/26/947547726.db2.gz	FTLDLQGWANUGMD-KBPBESRZSA-N	0	1	386.460	0.710	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573350236	947591505	/nfs/dbraw/zinc/59/15/05/947591505.db2.gz	ADOGQGRQHLFKRL-YIZRAAEISA-N	0	1	399.864	0.457	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1	ZINC001573350967	947605386	/nfs/dbraw/zinc/60/53/86/947605386.db2.gz	MJJFIVSUFYANTJ-VBQJREDUSA-N	0	1	383.456	0.844	20	30		GCEDMN
C=CCn1cc(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)nn1	ZINC001573351599	947616293	/nfs/dbraw/zinc/61/62/93/947616293.db2.gz	TXWVLQZBRVKDJN-LBPRGKRZSA-N	0	1	382.432	0.602	20	30		GCEDMN
CC#CCCCC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1	ZINC001573358109	947656316	/nfs/dbraw/zinc/65/63/16/947656316.db2.gz	FNNOQQDMAOIADD-UHFFFAOYSA-N	0	1	383.456	0.903	20	30		GCEDMN
Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3cnc(-c4nn[nH]n4)c3C#N)n12	ZINC000826293939	947853561	/nfs/dbraw/zinc/85/35/61/947853561.db2.gz	FJIJYAZSDAOAIV-UHFFFAOYSA-N	0	1	387.367	0.186	20	30		GCEDMN
N#Cc1ncn(Cc2cccc(Cn3cnc(-c4nn[nH]n4)c3C#N)c2)c1C#N	ZINC000826388035	948191500	/nfs/dbraw/zinc/19/15/00/948191500.db2.gz	GEEIVKFGUMJUHY-UHFFFAOYSA-N	0	1	381.363	0.971	20	30		GCEDMN
C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576169081	949663609	/nfs/dbraw/zinc/66/36/09/949663609.db2.gz	DYFFNLUKNWOUPI-FZMZJTMJSA-N	0	1	392.427	0.631	20	30		GCEDMN
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576191778	950209290	/nfs/dbraw/zinc/20/92/90/950209290.db2.gz	KEJPRNIXHMIEOB-DGCLKSJQSA-N	0	1	392.427	0.489	20	30		GCEDMN
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576191781	950209651	/nfs/dbraw/zinc/20/96/51/950209651.db2.gz	KEJPRNIXHMIEOB-YPMHNXCESA-N	0	1	392.427	0.489	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)[C@@H](C#N)C1	ZINC001573852885	950311243	/nfs/dbraw/zinc/31/12/43/950311243.db2.gz	KKLXWTFIHMIJEF-ONGXEEELSA-N	0	1	382.388	0.699	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)[C@@H]2C1	ZINC001573857398	950405861	/nfs/dbraw/zinc/40/58/61/950405861.db2.gz	QHRHQBBGCCARPU-ZYHUDNBSSA-N	0	1	383.416	0.974	20	30		GCEDMN
C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC001575142158	952147132	/nfs/dbraw/zinc/14/71/32/952147132.db2.gz	JIOBIOQBAIQWFD-QGZVFWFLSA-N	0	1	378.400	0.289	20	30		GCEDMN
CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1	ZINC001571124424	952538912	/nfs/dbraw/zinc/53/89/12/952538912.db2.gz	IRICGTPSHJZKPU-HNNXBMFYSA-N	0	1	377.412	0.846	20	30		GCEDMN
Cc1cc(NC2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1	ZINC001571127795	952559545	/nfs/dbraw/zinc/55/95/45/952559545.db2.gz	NJQKBJBOROBMAL-UHFFFAOYSA-N	0	1	377.412	0.907	20	30		GCEDMN
N#Cc1cc(C(=O)N2CCC(CNc3ccncc3-c3nn[nH]n3)CC2)c[nH]1	ZINC001571129028	952572937	/nfs/dbraw/zinc/57/29/37/952572937.db2.gz	ZMKZMOKKQTXRQZ-UHFFFAOYSA-N	0	1	377.412	0.848	20	30		GCEDMN
COC(=O)[C@@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)Cc1ccc(O)cc1	ZINC001571152887	952684159	/nfs/dbraw/zinc/68/41/59/952684159.db2.gz	KGBCAODQWZZCKX-LLVKDONJSA-N	0	1	380.368	0.678	20	30		GCEDMN
CCc1nc(CN2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)cs1	ZINC001571209694	953066358	/nfs/dbraw/zinc/06/63/58/953066358.db2.gz	BCRCZQCWSPZVOU-UHFFFAOYSA-N	0	1	382.457	0.869	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593729511	954309879	/nfs/dbraw/zinc/30/98/79/954309879.db2.gz	XOLRMYWDNAEQOT-PWSUYJOCSA-N	0	1	378.351	0.345	20	30		GCEDMN
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593729511	954309893	/nfs/dbraw/zinc/30/98/93/954309893.db2.gz	XOLRMYWDNAEQOT-PWSUYJOCSA-N	0	1	378.351	0.345	20	30		GCEDMN
C#CC[N@@H+](C)CCCNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1	ZINC001588396063	958046131	/nfs/dbraw/zinc/04/61/31/958046131.db2.gz	STWRQABEDGGGFT-SFHVURJKSA-N	0	1	383.445	0.148	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)CCC[C@@H]3C(=O)[O-])CC2)o1	ZINC001594444888	959319184	/nfs/dbraw/zinc/31/91/84/959319184.db2.gz	AMILHQMRPFYTIZ-IUODEOHRSA-N	0	1	375.429	0.831	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C(=O)[O-])CC2)o1	ZINC001594444888	959319201	/nfs/dbraw/zinc/31/92/01/959319201.db2.gz	AMILHQMRPFYTIZ-IUODEOHRSA-N	0	1	375.429	0.831	20	30		GCEDMN
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001348479432	962440426	/nfs/dbraw/zinc/44/04/26/962440426.db2.gz	BCGRCGCZACTYJV-LJQANCHMSA-N	0	1	389.408	0.334	20	30		GCEDMN
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)CC2)cc1	ZINC001605601819	973907900	/nfs/dbraw/zinc/90/79/00/973907900.db2.gz	FHWOKSSHCYXQQU-SFHVURJKSA-N	0	1	398.463	0.916	20	30		GCEDMN
CC(C)(C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000600657235	975003606	/nfs/dbraw/zinc/00/36/06/975003606.db2.gz	NCXUJRJYTBYYQB-UHFFFAOYSA-N	0	1	382.398	0.636	20	30		GCEDMN
C#CCNC(=O)C1CC[NH+](CN2C[C@H](c3ccccc3)[C@@H](C(=O)[O-])C2=O)CC1	ZINC001588479248	983518261	/nfs/dbraw/zinc/51/82/61/983518261.db2.gz	FZGHRDRZGHNOEE-QZTJIDSGSA-N	0	1	383.448	0.732	20	30		GCEDMN
C[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CC(=O)[O-]	ZINC001598489786	992269153	/nfs/dbraw/zinc/26/91/53/992269153.db2.gz	XPNLINLCFQQMET-GFCCVEGCSA-N	0	1	378.816	0.697	20	30		GCEDMN
C[N@@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CC(=O)[O-]	ZINC001598489787	992269294	/nfs/dbraw/zinc/26/92/94/992269294.db2.gz	XPNLINLCFQQMET-LBPRGKRZSA-N	0	1	378.816	0.697	20	30		GCEDMN
C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)[O-])C2)C1	ZINC001598585888	993381380	/nfs/dbraw/zinc/38/13/80/993381380.db2.gz	KEAYIHDAHFFTOQ-JXFKEZNVSA-N	0	1	396.451	0.794	20	30		GCEDMN
C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001598586537	993391970	/nfs/dbraw/zinc/39/19/70/993391970.db2.gz	RVIJPPBOPDDFAN-OXQOHEQNSA-N	0	1	396.451	0.794	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC001598767796	995852704	/nfs/dbraw/zinc/85/27/04/995852704.db2.gz	YRFWJIIQOYVAKT-HZMVEIRTSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1C[C@H](OC)CCN1CC#CC[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC001598767796	995852708	/nfs/dbraw/zinc/85/27/08/995852708.db2.gz	YRFWJIIQOYVAKT-HZMVEIRTSA-N	0	1	382.457	0.206	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC001598774202	995913058	/nfs/dbraw/zinc/91/30/58/995913058.db2.gz	YLGBIBCUTHQLQQ-INMHGKMJSA-N	0	1	376.409	0.831	20	30		GCEDMN
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC001598774202	995913062	/nfs/dbraw/zinc/91/30/62/995913062.db2.gz	YLGBIBCUTHQLQQ-INMHGKMJSA-N	0	1	376.409	0.831	20	30		GCEDMN
Cn1cc(C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cc1C#N	ZINC000483335979	530119372	/nfs/dbraw/zinc/11/93/72/530119372.db2.gz	IXEZDEXFGDHBMQ-UHFFFAOYSA-N	0	1	379.408	0.847	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000550418179	530248060	/nfs/dbraw/zinc/24/80/60/530248060.db2.gz	KQMCGZQAKPPHAB-ZDUSSCGKSA-N	0	1	394.273	0.621	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000550418143	530248125	/nfs/dbraw/zinc/24/81/25/530248125.db2.gz	KQMCGZQAKPPHAB-CYBMUJFWSA-N	0	1	394.273	0.621	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)c(C)cn1	ZINC000574927647	530328429	/nfs/dbraw/zinc/32/84/29/530328429.db2.gz	QYHBSXHXFSLJCB-CQSZACIVSA-N	0	1	388.515	0.816	20	30		GCEDMN
CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1	ZINC000594624293	530432023	/nfs/dbraw/zinc/43/20/23/530432023.db2.gz	MBCFNHWOXKHFSM-STQMWFEESA-N	0	1	388.515	0.495	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1	ZINC000330411565	530519560	/nfs/dbraw/zinc/51/95/60/530519560.db2.gz	KNCIMTZOILWOSY-CABCVRRESA-N	0	1	376.523	0.271	20	30		GCEDMN
CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000534137274	530522409	/nfs/dbraw/zinc/52/24/09/530522409.db2.gz	FOCZJNIIYBXQEZ-GFCCVEGCSA-N	0	1	389.455	0.370	20	30		GCEDMN
CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@H]2CCN(CCOC)C2)CC1	ZINC000330827492	530525834	/nfs/dbraw/zinc/52/58/34/530525834.db2.gz	JAEHDJYMHUQTIP-AWEZNQCLSA-N	0	1	376.523	0.367	20	30		GCEDMN
CCC[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1	ZINC000567520984	530543987	/nfs/dbraw/zinc/54/39/87/530543987.db2.gz	MAIWKNQSMPOELQ-CYBMUJFWSA-N	0	1	388.515	0.497	20	30		GCEDMN
C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)N(C)C	ZINC000573507292	530581146	/nfs/dbraw/zinc/58/11/46/530581146.db2.gz	XLRJXUMDXONVLD-OLZOCXBDSA-N	0	1	388.515	0.448	20	30		GCEDMN
O=C(NCCS(=O)(=O)N1CCSCC1)N1CCN(C2CCC2)CC1	ZINC000329403900	530611705	/nfs/dbraw/zinc/61/17/05/530611705.db2.gz	YVNJOYFAUKVMRX-UHFFFAOYSA-N	0	1	376.548	0.449	20	30		GCEDMN
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)C1	ZINC000329702551	530619346	/nfs/dbraw/zinc/61/93/46/530619346.db2.gz	HXJHPBJYPHKGOL-YPMHNXCESA-N	0	1	375.882	0.979	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000440105051	530683348	/nfs/dbraw/zinc/68/33/48/530683348.db2.gz	QMELMKVUOYPXGQ-CHWSQXEVSA-N	0	1	393.437	0.975	20	30		GCEDMN
C=CCn1c(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)n[nH]c1=O	ZINC000470836731	530696878	/nfs/dbraw/zinc/69/68/78/530696878.db2.gz	OMAHNIQVXZBKQB-UHFFFAOYSA-N	0	1	383.455	0.856	20	30		GCEDMN
CN(C)CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)C#N)c1	ZINC000579735163	530746966	/nfs/dbraw/zinc/74/69/66/530746966.db2.gz	VKUQPOASAJUMOE-UHFFFAOYSA-N	0	1	388.515	0.449	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(C)ccc1OC	ZINC000349463298	530871906	/nfs/dbraw/zinc/87/19/06/530871906.db2.gz	UJTBVHUWFMEBDE-UHFFFAOYSA-N	0	1	389.499	0.815	20	30		GCEDMN
C=C(C)COCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	ZINC000582481732	530843877	/nfs/dbraw/zinc/84/38/77/530843877.db2.gz	FKIYGDJUVUKVBX-UHFFFAOYSA-N	0	1	390.527	0.893	20	30		GCEDMN
CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000429725170	530901745	/nfs/dbraw/zinc/90/17/45/530901745.db2.gz	YFJURTPOCOZBJW-HOTGVXAUSA-N	0	1	385.511	0.782	20	30		GCEDMN
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)ccn1	ZINC000349502883	530883605	/nfs/dbraw/zinc/88/36/05/530883605.db2.gz	RLVIVOCHDAQYLM-AWEZNQCLSA-N	0	1	390.462	0.211	20	30		GCEDMN
C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)N(C)C1CC1	ZINC000520839785	530958775	/nfs/dbraw/zinc/95/87/75/530958775.db2.gz	RZJUYNBXPKNHQC-LBPRGKRZSA-N	0	1	386.499	0.249	20	30		GCEDMN
CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000269889033	530979066	/nfs/dbraw/zinc/97/90/66/530979066.db2.gz	VIAQIGCVKHESDD-VIFPVBQESA-N	0	1	379.410	0.396	20	30		GCEDMN
C=CCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000272017470	531005926	/nfs/dbraw/zinc/00/59/26/531005926.db2.gz	HHCDESSVEBFNKT-UHFFFAOYSA-N	0	1	391.471	0.037	20	30		GCEDMN
C=CCN(CC=C)[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(C)C	ZINC000276632529	531008861	/nfs/dbraw/zinc/00/88/61/531008861.db2.gz	WITOSPUFPYCEIJ-MRXNPFEDSA-N	0	1	395.591	0.886	20	30		GCEDMN
Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)n1	ZINC000424609092	531049809	/nfs/dbraw/zinc/04/98/09/531049809.db2.gz	CCXOEXWAQWHYOC-QWHCGFSZSA-N	0	1	389.503	0.554	20	30		GCEDMN
CSc1[nH]c(=O)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1-c1nn[nH]n1	ZINC000737186075	598759265	/nfs/dbraw/zinc/75/92/65/598759265.db2.gz	FXQWASYMNLXYAI-SNVBAGLBSA-N	0	1	386.441	0.502	20	30		GCEDMN
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1	ZINC000825626109	601172995	/nfs/dbraw/zinc/17/29/95/601172995.db2.gz	UIEZHOWBHYBRSI-CYBMUJFWSA-N	0	1	391.399	0.784	20	30		GCEDMN
COc1cc(-c2noc(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)n2)ccc1C	ZINC000826176746	607539158	/nfs/dbraw/zinc/53/91/58/607539158.db2.gz	BLSALXICWMXPRD-UHFFFAOYSA-N	0	1	378.356	0.932	20	30		GCEDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000826295073	607718464	/nfs/dbraw/zinc/71/84/64/607718464.db2.gz	PUUVZNLQFVOMIT-SFHVURJKSA-N	0	1	380.412	0.940	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)CC1	ZINC000833467192	605043099	/nfs/dbraw/zinc/04/30/99/605043099.db2.gz	SQSYLYIDVWVWAJ-KRWDZBQOSA-N	0	1	380.489	0.634	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)cc1	ZINC000833364347	605104542	/nfs/dbraw/zinc/10/45/42/605104542.db2.gz	PETNLCURBLPZLL-AWEZNQCLSA-N	0	1	393.465	0.219	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1	ZINC000833375581	605104552	/nfs/dbraw/zinc/10/45/52/605104552.db2.gz	GMZNXZVMUYMTAC-AWEZNQCLSA-N	0	1	395.481	0.772	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc1	ZINC000833364336	605250442	/nfs/dbraw/zinc/25/04/42/605250442.db2.gz	OUFKFERMQMBUTP-AWEZNQCLSA-N	0	1	393.465	0.219	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c1	ZINC000833375818	605255107	/nfs/dbraw/zinc/25/51/07/605255107.db2.gz	LRSRIVIHTJEZEA-CQSZACIVSA-N	0	1	395.481	0.772	20	30		GCEDMN
COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C(=O)[O-])C1	ZINC000833709158	605692753	/nfs/dbraw/zinc/69/27/53/605692753.db2.gz	RBZCTFAATBFUAT-HLLBOEOZSA-N	0	1	376.409	0.831	20	30		GCEDMN
N#Cc1c[nH]c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1	ZINC000822818517	606255827	/nfs/dbraw/zinc/25/58/27/606255827.db2.gz	BELGLFWUFWPINT-UHFFFAOYSA-N	0	1	379.384	0.894	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1sccc1-c1nn[nH]n1	ZINC000821601505	606702498	/nfs/dbraw/zinc/70/24/98/606702498.db2.gz	KYPBJJZQZJLXAA-UHFFFAOYSA-N	0	1	386.445	0.608	20	30		GCEDMN
N#C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(OC(F)(F)F)cc1	ZINC000822801188	607216201	/nfs/dbraw/zinc/21/62/01/607216201.db2.gz	GGDOOQVWICSWQH-SNVBAGLBSA-N	0	1	393.289	0.738	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000825934636	608035939	/nfs/dbraw/zinc/03/59/39/608035939.db2.gz	PDOJXBXVWXGTDG-CYBMUJFWSA-N	0	1	397.443	0.348	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000825934636	608035940	/nfs/dbraw/zinc/03/59/40/608035940.db2.gz	PDOJXBXVWXGTDG-CYBMUJFWSA-N	0	1	397.443	0.348	20	30		GCEDMN
C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000825934636	608035941	/nfs/dbraw/zinc/03/59/41/608035941.db2.gz	PDOJXBXVWXGTDG-CYBMUJFWSA-N	0	1	397.443	0.348	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000825934636	608035942	/nfs/dbraw/zinc/03/59/42/608035942.db2.gz	PDOJXBXVWXGTDG-CYBMUJFWSA-N	0	1	397.443	0.348	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1cccc(-c2nn[nH]n2)c1	ZINC000825938916	608036192	/nfs/dbraw/zinc/03/61/92/608036192.db2.gz	ZCHFQPJUPGJERR-UHFFFAOYSA-N	0	1	394.443	0.224	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCC[C@@](C)(C#N)C3)CC2)o1	ZINC000826323293	608126089	/nfs/dbraw/zinc/12/60/89/608126089.db2.gz	YPGGCSHWTLJZIW-SFHVURJKSA-N	0	1	399.459	0.437	20	30		GCEDMN
CN(C)CC#CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1	ZINC000913515259	639581354	/nfs/dbraw/zinc/58/13/54/639581354.db2.gz	PCZTVNDTCBHVDN-UHFFFAOYSA-N	0	1	388.287	0.409	20	30		GCEDMN
CNC(=O)CNC(=S)NN=Cc1c(Cl)cccc1N1CCN(C)CC1	ZINC000731926902	639784882	/nfs/dbraw/zinc/78/48/82/639784882.db2.gz	HEUFKOCWOSYUCO-UHFFFAOYSA-N	0	1	382.921	0.636	20	30		GCEDMN
CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1	ZINC000915421767	639788750	/nfs/dbraw/zinc/78/87/50/639788750.db2.gz	FHWINUMUVGJZHK-SNVBAGLBSA-N	0	1	382.423	0.721	20	30		GCEDMN
CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1	ZINC000915421767	639788752	/nfs/dbraw/zinc/78/87/52/639788752.db2.gz	FHWINUMUVGJZHK-SNVBAGLBSA-N	0	1	382.423	0.721	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1	ZINC000771892923	640835336	/nfs/dbraw/zinc/83/53/36/640835336.db2.gz	WEOKWZPUGGYFTA-UHFFFAOYSA-N	0	1	384.845	0.830	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cnc(C(C)(C)C)s2)c(=O)n(C)c1=O	ZINC000771892344	640835406	/nfs/dbraw/zinc/83/54/06/640835406.db2.gz	ZGPVEQBLXJVXSZ-UHFFFAOYSA-N	0	1	385.471	0.150	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2csc(C(C)(C)C)n2)c(=O)n(C)c1=O	ZINC000771890066	640835493	/nfs/dbraw/zinc/83/54/93/640835493.db2.gz	MXYPNNIINVNZJJ-UHFFFAOYSA-N	0	1	385.471	0.150	20	30		GCEDMN
C=C(Br)CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1	ZINC000786136072	641323442	/nfs/dbraw/zinc/32/34/42/641323442.db2.gz	DPGUVYUKVKDPPW-UHFFFAOYSA-N	0	1	396.289	0.474	20	30		GCEDMN
COC(=O)c1cc(Br)c(S(=O)(=O)NCC(=O)NCC#N)s1	ZINC000796216216	641540426	/nfs/dbraw/zinc/54/04/26/641540426.db2.gz	DDYNSCSOUFQXMZ-UHFFFAOYSA-N	0	1	396.244	0.215	20	30		GCEDMN
C[N@H+](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCSC1	ZINC000816126806	641844246	/nfs/dbraw/zinc/84/42/46/641844246.db2.gz	UUPQOKWUQNJOJS-GFCCVEGCSA-N	0	1	384.439	0.709	20	30		GCEDMN
C[N@@H+](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCSC1	ZINC000816126806	641844256	/nfs/dbraw/zinc/84/42/56/641844256.db2.gz	UUPQOKWUQNJOJS-GFCCVEGCSA-N	0	1	384.439	0.709	20	30		GCEDMN
C=C(C)CNC(=S)NN=c1ccc(S(=O)(=O)N2CCN(C)CC2)c[nH]1	ZINC000818269419	641907005	/nfs/dbraw/zinc/90/70/05/641907005.db2.gz	UMASDZAWEMGGBI-UHFFFAOYSA-N	0	1	384.531	0.385	20	30		GCEDMN
C#CCNC(=O)CCNCC(=O)Nc1ccc(I)cc1	ZINC000819296675	641933717	/nfs/dbraw/zinc/93/37/17/641933717.db2.gz	BVSWBBYFMOEZOW-UHFFFAOYSA-N	0	1	385.205	0.959	20	30		GCEDMN
N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)sc1Cl	ZINC001041422087	642074869	/nfs/dbraw/zinc/07/48/69/642074869.db2.gz	VVVHTEGXMIIHPJ-GAJNKVMBSA-N	0	1	378.845	0.861	20	30		GCEDMN
C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1	ZINC000831556803	642164800	/nfs/dbraw/zinc/16/48/00/642164800.db2.gz	UVAMPHOHLAYZTM-UHFFFAOYSA-N	0	1	379.467	0.364	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O	ZINC000834515607	642213870	/nfs/dbraw/zinc/21/38/70/642213870.db2.gz	ACORUYMXQOPDTK-QMTHXVAHSA-N	0	1	390.241	0.777	20	30		GCEDMN
Cc1c(C(=O)N[C@@H]2CNC[C@H]2C#N)cc(Br)cc1S(N)(=O)=O	ZINC000834501178	642213929	/nfs/dbraw/zinc/21/39/29/642213929.db2.gz	ZZHOXZNCANDNBM-LDYMZIIASA-N	0	1	387.259	0.246	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000834506179	642214072	/nfs/dbraw/zinc/21/40/72/642214072.db2.gz	QGWHUDGZSISLIY-GXTWGEPZSA-N	0	1	382.873	0.966	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CNC[C@H]3C#N)C2)s1	ZINC000834516644	642214501	/nfs/dbraw/zinc/21/45/01/642214501.db2.gz	KHSZWPZKFJAKKZ-BFHYXJOUSA-N	0	1	382.511	0.685	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1	ZINC000843461751	642370910	/nfs/dbraw/zinc/37/09/10/642370910.db2.gz	NBNWTCUYOLZCCP-WDEREUQCSA-N	0	1	386.524	0.327	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F	ZINC000843461131	642370951	/nfs/dbraw/zinc/37/09/51/642370951.db2.gz	SFDHFGMGOHUZCC-ONGXEEELSA-N	0	1	376.360	0.211	20	30		GCEDMN
C#C[C@H](CO)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000867342758	642390315	/nfs/dbraw/zinc/39/03/15/642390315.db2.gz	CLUNXPNOXJVIMF-GIGQVBGESA-N	0	1	381.273	0.734	20	30		GCEDMN
CCc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n[nH]1	ZINC000848942696	642557574	/nfs/dbraw/zinc/55/75/74/642557574.db2.gz	TYBCHMITALIVOS-UHFFFAOYSA-N	0	1	383.455	0.252	20	30		GCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1c(C#N)cnn1CC	ZINC000848960855	642583610	/nfs/dbraw/zinc/58/36/10/642583610.db2.gz	KYCFXOUKWTYTOX-LBPRGKRZSA-N	0	1	387.487	0.190	20	30		GCEDMN
C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1ccc(C(F)(F)F)nn1	ZINC000848967312	642611615	/nfs/dbraw/zinc/61/16/15/642611615.db2.gz	XIQCTGAHBXVCMH-UHFFFAOYSA-N	0	1	386.377	0.180	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848968267	642614675	/nfs/dbraw/zinc/61/46/75/642614675.db2.gz	QGDOPAWFALRJGN-JTQLQIEISA-N	0	1	380.879	0.593	20	30		GCEDMN
CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848970105	642622225	/nfs/dbraw/zinc/62/22/25/642622225.db2.gz	MISRNBGBEHJVIK-UHFFFAOYSA-N	0	1	394.906	0.937	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N[C@H]1C=CCC1	ZINC000852904662	642778222	/nfs/dbraw/zinc/77/82/22/642778222.db2.gz	NVGSXZZZBHPGOV-ZDUSSCGKSA-N	0	1	387.487	0.544	20	30		GCEDMN
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCC(=O)NCC#N)CC1	ZINC000511900561	1192192399	/nfs/dbraw/zinc/19/23/99/1192192399.db2.gz	HXURTNQFQFUCEJ-AWEZNQCLSA-N	0	1	390.463	0.968	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1ccccc1	ZINC001211676553	1192203996	/nfs/dbraw/zinc/20/39/96/1192203996.db2.gz	MWVMUTMCOSEDMP-WCIQWLHISA-N	0	1	381.476	0.911	20	30		GCEDMN
C=C[C@H](CO)NCC(=O)N(c1c(N)n(CCCC)c(=O)[nH]c1=O)C1CCCC1	ZINC000662168003	1192251610	/nfs/dbraw/zinc/25/16/10/1192251610.db2.gz	OEGSMRNYKFKHRK-CYBMUJFWSA-N	0	1	393.488	0.743	20	30		GCEDMN
CN1CCO[C@@H]2CN(CC(=O)NCC3(N4CCOCC4)CCCCC3)C[C@H]21	ZINC000330274433	1192311342	/nfs/dbraw/zinc/31/13/42/1192311342.db2.gz	KCOFGAJCGWODMT-QZTJIDSGSA-N	0	1	380.533	0.993	20	30		GCEDMN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000278928322	1192374400	/nfs/dbraw/zinc/37/44/00/1192374400.db2.gz	SHUPNTVJWQCRRE-DLBZAZTESA-N	0	1	379.482	0.798	20	30		GCEDMN
N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1	ZINC000585728714	1192398046	/nfs/dbraw/zinc/39/80/46/1192398046.db2.gz	FMAFQIWJDBREKZ-IBGZPJMESA-N	0	1	383.496	0.871	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCC2CCN(CC#N)CC2)c1	ZINC000467798945	1192452035	/nfs/dbraw/zinc/45/20/35/1192452035.db2.gz	NZJVSJYOFWLVND-UHFFFAOYSA-N	0	1	380.470	0.608	20	30		GCEDMN
C=CCc1ccc(OC[C@H](O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(OC)c1	ZINC000279122324	1192469308	/nfs/dbraw/zinc/46/93/08/1192469308.db2.gz	UWGFCKXWOUJDIJ-QRWLVFNGSA-N	0	1	389.452	0.837	20	30		GCEDMN
CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000279673717	1192574545	/nfs/dbraw/zinc/57/45/45/1192574545.db2.gz	FTENUXKPAXWZTE-WMZOPIPTSA-N	0	1	389.479	0.920	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)OC2(CCOCC2)C1)c1cc[nH]n1	ZINC000279835978	1192610135	/nfs/dbraw/zinc/61/01/35/1192610135.db2.gz	RESYBRYIVSFNGQ-JEEMYIIMSA-N	0	1	394.428	0.490	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1	ZINC000418908192	1192686405	/nfs/dbraw/zinc/68/64/05/1192686405.db2.gz	MKLUTUGRSYFRKO-VBQJREDUSA-N	0	1	383.452	0.379	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000894100274	1192918646	/nfs/dbraw/zinc/91/86/46/1192918646.db2.gz	YFBGPNQTUDZKOZ-IBGZPJMESA-N	0	1	398.511	0.942	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)CC1	ZINC000728210696	1184375315	/nfs/dbraw/zinc/37/53/15/1184375315.db2.gz	LSIKXYDZIONVIP-ZDUSSCGKSA-N	0	1	381.436	0.669	20	30		GCEDMN
Cn1cc(N2C[C@]3(COCCN(CCc4ccc(C#N)cc4)C3)OCC2=O)cn1	ZINC001208926146	1184422573	/nfs/dbraw/zinc/42/25/73/1184422573.db2.gz	CBMKOHJXVNCTHJ-OAQYLSRUSA-N	0	1	395.463	0.969	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)CC1	ZINC000246089237	1184465851	/nfs/dbraw/zinc/46/58/51/1184465851.db2.gz	NOCNLUNCVNTHAH-GBESFXJTSA-N	0	1	377.533	0.331	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1	ZINC000970145388	1184589176	/nfs/dbraw/zinc/58/91/76/1184589176.db2.gz	RWIBDZDGBQNILS-YVSFHVDLSA-N	0	1	391.468	0.624	20	30		GCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000430409217	1184681441	/nfs/dbraw/zinc/68/14/41/1184681441.db2.gz	MTQNWXABTGVCFM-SOLBZPMBSA-N	0	1	379.501	0.796	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H](O)C1	ZINC000970594488	1184894799	/nfs/dbraw/zinc/89/47/99/1184894799.db2.gz	BZZHJWFJPINUOM-KBXIAJHMSA-N	0	1	376.457	0.734	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1	ZINC000970655931	1184932325	/nfs/dbraw/zinc/93/23/25/1184932325.db2.gz	GHYTYEJRCDYWJI-NCOADZHNSA-N	0	1	379.501	0.387	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)C[C@@H]1O	ZINC000970706536	1184976972	/nfs/dbraw/zinc/97/69/72/1184976972.db2.gz	DFZRCEMBZYEBTE-YJQGPUDQSA-N	0	1	388.346	0.321	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCCOCC1	ZINC000275794463	1185063632	/nfs/dbraw/zinc/06/36/32/1185063632.db2.gz	HLUYNAQTSLUTAT-AWEZNQCLSA-N	0	1	380.470	0.064	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCCCCC#N)CC1	ZINC000580176452	1185105546	/nfs/dbraw/zinc/10/55/46/1185105546.db2.gz	PHFCXHVSSKCGDG-UHFFFAOYSA-N	0	1	379.505	0.539	20	30		GCEDMN
Cc1ccc(CN2CCCN(C(=O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)cc1	ZINC000275969813	1185343801	/nfs/dbraw/zinc/34/38/01/1185343801.db2.gz	JBRVWIKIAYNGRF-UHFFFAOYSA-N	0	1	395.463	0.462	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1	ZINC000580789043	1185362422	/nfs/dbraw/zinc/36/24/22/1185362422.db2.gz	YCUSGUMQDFOEHA-HZPDHXFCSA-N	0	1	393.465	0.524	20	30		GCEDMN
Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C)N1CCOCC1	ZINC001707891844	1185497203	/nfs/dbraw/zinc/49/72/03/1185497203.db2.gz	DGXOZQSSLMYJFP-ZDUSSCGKSA-N	0	1	383.456	0.842	20	30		GCEDMN
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1	ZINC000581218910	1185540111	/nfs/dbraw/zinc/54/01/11/1185540111.db2.gz	SHPINSNTCQKEDW-OAHLLOKOSA-N	0	1	388.468	0.456	20	30		GCEDMN
C#CCN(C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)C1CC1	ZINC000276087155	1185560130	/nfs/dbraw/zinc/56/01/30/1185560130.db2.gz	FADLQOOYGWIWJC-UHFFFAOYSA-N	0	1	384.480	0.876	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC2CC2)CC1	ZINC000156092214	1185562485	/nfs/dbraw/zinc/56/24/85/1185562485.db2.gz	PGOLXZLDLNIRAV-AWEZNQCLSA-N	0	1	376.482	0.779	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@H]32)CC1	ZINC001021886563	1185660506	/nfs/dbraw/zinc/66/05/06/1185660506.db2.gz	FPOOBWCZYPPTNK-UTBUEMAESA-N	0	1	385.508	0.958	20	30		GCEDMN
CNC(=O)[C@H](NC(=O)CN(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000121426934	1185828598	/nfs/dbraw/zinc/82/85/98/1185828598.db2.gz	KCNKWTQUZIJALQ-QGZVFWFLSA-N	0	1	383.456	0.331	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccccc1[N+](=O)[O-])c1ccn[nH]1	ZINC000276546122	1185884037	/nfs/dbraw/zinc/88/40/37/1185884037.db2.gz	GUYFKEAWKZXPKD-HMMYKYKNSA-N	0	1	375.341	0.918	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(N2CCCC2=O)CC1)c1cc[nH]n1	ZINC000276559551	1185900035	/nfs/dbraw/zinc/90/00/35/1185900035.db2.gz	IWADHMROHLZIGF-HEHNFIMWSA-N	0	1	391.428	0.307	20	30		GCEDMN
CCCNC(=O)CN(CCC)C(=O)/C(=N/OCC(=O)OCC)c1cc[nH]n1	ZINC000276662957	1185935852	/nfs/dbraw/zinc/93/58/52/1185935852.db2.gz	YHGNYJVEDIZYIT-LTGZKZEYSA-N	0	1	381.433	0.458	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21	ZINC000728369233	1185938340	/nfs/dbraw/zinc/93/83/40/1185938340.db2.gz	PQWDTNXERZYOKX-QWRGUYRKSA-N	0	1	387.396	0.625	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@](C)(O)c1ccc(F)cc1)c1ccn[nH]1	ZINC000276666388	1185941080	/nfs/dbraw/zinc/94/10/80/1185941080.db2.gz	YRYGJRAPIWGMCF-OZHVRZOASA-N	0	1	392.387	0.857	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(NC(=O)C(C)C)CC1)c1cc[nH]n1	ZINC000276668287	1185942936	/nfs/dbraw/zinc/94/29/36/1185942936.db2.gz	YVMYBOVVKYQOQJ-CJLVFECKSA-N	0	1	393.444	0.457	20	30		GCEDMN
Cc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C(=O)N3CCN(C)CC3)CC1)CC2	ZINC000328853278	1185975618	/nfs/dbraw/zinc/97/56/18/1185975618.db2.gz	JDZMWXUSPFXKQR-INIZCTEOSA-N	0	1	389.504	0.301	20	30		GCEDMN
CO[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)N(C)C1	ZINC000328924081	1186022102	/nfs/dbraw/zinc/02/21/02/1186022102.db2.gz	DHUSHDCCZFWSDE-HOTGVXAUSA-N	0	1	375.473	0.796	20	30		GCEDMN
COCC#CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cnn(C)c1	ZINC001691281461	1186111346	/nfs/dbraw/zinc/11/13/46/1186111346.db2.gz	FQHWLVWXNUKVAX-AEEMCCEDSA-N	0	1	386.496	0.769	20	30		GCEDMN
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)C1	ZINC000328999725	1186169735	/nfs/dbraw/zinc/16/97/35/1186169735.db2.gz	KWOLGSFBPSITJM-CXAGYDPISA-N	0	1	384.502	0.932	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)C1	ZINC000328999725	1186169738	/nfs/dbraw/zinc/16/97/38/1186169738.db2.gz	KWOLGSFBPSITJM-CXAGYDPISA-N	0	1	384.502	0.932	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000276953653	1186172203	/nfs/dbraw/zinc/17/22/03/1186172203.db2.gz	WHCVTMOXNINIQP-BXWFABGCSA-N	0	1	399.495	0.756	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000276953658	1186172562	/nfs/dbraw/zinc/17/25/62/1186172562.db2.gz	WHCVTMOXNINIQP-GJYPPUQNSA-N	0	1	399.495	0.756	20	30		GCEDMN
N#CC1(F)CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000510933513	1186186025	/nfs/dbraw/zinc/18/60/25/1186186025.db2.gz	HXPJRHOACVMRHD-UHFFFAOYSA-N	0	1	382.461	0.710	20	30		GCEDMN
CS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000610967912	1186267503	/nfs/dbraw/zinc/26/75/03/1186267503.db2.gz	XFEKAMBOKPGRJZ-IRXDYDNUSA-N	0	1	381.498	0.754	20	30		GCEDMN
C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1	ZINC000582073167	1186396336	/nfs/dbraw/zinc/39/63/36/1186396336.db2.gz	VKYIYNCSKMMMRA-HEHGZKQESA-N	0	1	398.510	0.202	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@]1(CO)C[C@@H](OCC)C1(C)C)c1ccn[nH]1	ZINC000277910284	1186686170	/nfs/dbraw/zinc/68/61/70/1186686170.db2.gz	ASYVODJXVOZESQ-WGLFGWLRSA-N	0	1	396.444	0.376	20	30		GCEDMN
C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC	ZINC000785153457	1186701092	/nfs/dbraw/zinc/70/10/92/1186701092.db2.gz	UPTFJQHVOIVMSV-UHFFFAOYSA-N	0	1	388.468	0.542	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1cccc(C(N)=O)c1)c1ccn[nH]1	ZINC000277970824	1186728842	/nfs/dbraw/zinc/72/88/42/1186728842.db2.gz	IMLVLFZUDSBCNB-XQNSMLJCSA-N	0	1	387.396	0.151	20	30		GCEDMN
C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCN(c2ccccc2)CC1	ZINC000052101232	1186769667	/nfs/dbraw/zinc/76/96/67/1186769667.db2.gz	YDDQYVJHUZYWGW-HNNXBMFYSA-N	0	1	382.468	0.578	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(F)cc1)c1ccn[nH]1	ZINC000278303521	1186881104	/nfs/dbraw/zinc/88/11/04/1186881104.db2.gz	IWDZUKJYIZJESC-TYIKUYDASA-N	0	1	378.360	0.682	20	30		GCEDMN
C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)C(=O)OC	ZINC000583537223	1186881511	/nfs/dbraw/zinc/88/15/11/1186881511.db2.gz	YYDYCTONQVWURU-GFCCVEGCSA-N	0	1	392.380	0.104	20	30		GCEDMN
N#Cc1cccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)n1	ZINC000583810837	1186942489	/nfs/dbraw/zinc/94/24/89/1186942489.db2.gz	LOUMZJSQYFQIOM-UHFFFAOYSA-N	0	1	392.463	0.826	20	30		GCEDMN
CC(C)c1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n[nH]1	ZINC000329756551	1187032456	/nfs/dbraw/zinc/03/24/56/1187032456.db2.gz	MIRVSMPMNMEFGM-ZDUSSCGKSA-N	0	1	397.501	0.435	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1ccccc1	ZINC001211618430	1187052576	/nfs/dbraw/zinc/05/25/76/1187052576.db2.gz	WIRROJORPDJBCI-BOLBYERCSA-N	0	1	385.464	0.124	20	30		GCEDMN
C#CCNC(=O)[C@H](C)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000142400940	1187151399	/nfs/dbraw/zinc/15/13/99/1187151399.db2.gz	PAEFVFAHAOTKTN-GJZGRUSLSA-N	0	1	380.489	0.477	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1	ZINC001023847865	1187157780	/nfs/dbraw/zinc/15/77/80/1187157780.db2.gz	QTHDVAGYZRLHMW-PILAGYSTSA-N	0	1	388.468	0.110	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1O	ZINC001023940118	1187180315	/nfs/dbraw/zinc/18/03/15/1187180315.db2.gz	YJVYTDAAQSVPEO-FAJBIJEISA-N	0	1	379.501	0.387	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1O	ZINC001023942852	1187181155	/nfs/dbraw/zinc/18/11/55/1187181155.db2.gz	RLNNHMFZERLXMS-VKKKGTNTSA-N	0	1	384.383	0.630	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1O	ZINC001023958620	1187192986	/nfs/dbraw/zinc/19/29/86/1187192986.db2.gz	RUFZYSVQWQVNMU-TVFCKZIOSA-N	0	1	384.436	0.617	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1O	ZINC001023960637	1187194287	/nfs/dbraw/zinc/19/42/87/1187194287.db2.gz	QLFAINMVQOLYRE-DZUCGIPZSA-N	0	1	384.436	0.846	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@H]1O	ZINC001023960135	1187195664	/nfs/dbraw/zinc/19/56/64/1187195664.db2.gz	ALYSSUBMNYWVNA-YYQUZTFQSA-N	0	1	376.457	0.816	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1O	ZINC001023960330	1187195950	/nfs/dbraw/zinc/19/59/50/1187195950.db2.gz	FPDUHKBEXBABNE-DZUCGIPZSA-N	0	1	376.457	0.645	20	30		GCEDMN
C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)[C@@H]3C2)nn1	ZINC000972851529	1187277699	/nfs/dbraw/zinc/27/76/99/1187277699.db2.gz	ORYOZYZCCJZHPC-VMUDFCTBSA-N	0	1	381.440	0.664	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1	ZINC001024546623	1187453658	/nfs/dbraw/zinc/45/36/58/1187453658.db2.gz	OIHQSIRNXIERBN-ZDRJDWQYSA-N	0	1	388.468	0.571	20	30		GCEDMN
CC(C)N1CCC(O)(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000472441575	1187528101	/nfs/dbraw/zinc/52/81/01/1187528101.db2.gz	ZIMDZVKYMNMDKQ-UHFFFAOYSA-N	0	1	393.509	0.825	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1	ZINC001024784047	1187621027	/nfs/dbraw/zinc/62/10/27/1187621027.db2.gz	OPHDWFDMXDBVSL-HWMZRRJGSA-N	0	1	390.484	0.747	20	30		GCEDMN
N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1	ZINC001211637919	1187665386	/nfs/dbraw/zinc/66/53/86/1187665386.db2.gz	ZAAFGFRFXIOWCP-BHQCHZOVSA-N	0	1	394.475	0.634	20	30		GCEDMN
CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)[C@H]2C1	ZINC000580413512	1187682804	/nfs/dbraw/zinc/68/28/04/1187682804.db2.gz	OTMGAOYPKJRESE-QAPCUYQASA-N	0	1	382.468	0.154	20	30		GCEDMN
COCC(C)(C)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000581939881	1187730793	/nfs/dbraw/zinc/73/07/93/1187730793.db2.gz	SPMSYQQDDCDBLR-UHFFFAOYSA-N	0	1	394.497	0.406	20	30		GCEDMN
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000582572317	1187755327	/nfs/dbraw/zinc/75/53/27/1187755327.db2.gz	OOZICNUYSYWLFB-KBXCAEBGSA-N	0	1	399.470	0.945	20	30		GCEDMN
Cc1c(C(=O)NCCn2cnc(C#N)n2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000376464274	1187855219	/nfs/dbraw/zinc/85/52/19/1187855219.db2.gz	YSUDAKKXKOJVGF-UHFFFAOYSA-N	0	1	391.439	0.457	20	30		GCEDMN
N#CCN1CCC(Nc2cc(C3CC3)nc(NC3CCN(CC#N)CC3)n2)CC1	ZINC000587972845	1187914881	/nfs/dbraw/zinc/91/48/81/1187914881.db2.gz	BNZPWJSBYRTSMR-UHFFFAOYSA-N	0	1	394.527	0.998	20	30		GCEDMN
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C	ZINC000424397744	1187935300	/nfs/dbraw/zinc/93/53/00/1187935300.db2.gz	SZDVNQQETTZLPS-GJZGRUSLSA-N	0	1	387.502	0.578	20	30		GCEDMN
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C	ZINC000424397743	1187935324	/nfs/dbraw/zinc/93/53/24/1187935324.db2.gz	SZDVNQQETTZLPS-CABCVRRESA-N	0	1	387.502	0.578	20	30		GCEDMN
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CN1CCN(C)CC1	ZINC000122253615	1187974834	/nfs/dbraw/zinc/97/48/34/1187974834.db2.gz	DOAJAZQLUWSVTL-ZDUSSCGKSA-N	0	1	381.458	0.628	20	30		GCEDMN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000415321571	1188031004	/nfs/dbraw/zinc/03/10/04/1188031004.db2.gz	ATZXBOGQJUBMRT-CYBMUJFWSA-N	0	1	387.415	0.306	20	30		GCEDMN
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)ccc1F	ZINC000415325713	1188034512	/nfs/dbraw/zinc/03/45/12/1188034512.db2.gz	GZRLRRUVEHNLSR-ZDUSSCGKSA-N	0	1	387.415	0.306	20	30		GCEDMN
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1	ZINC000415333322	1188038344	/nfs/dbraw/zinc/03/83/44/1188038344.db2.gz	PPXOJBDWCXRGSI-MRXNPFEDSA-N	0	1	383.452	0.362	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)cc1	ZINC000415578130	1188112172	/nfs/dbraw/zinc/11/21/72/1188112172.db2.gz	ZJEPQBLPARBTSH-UONOGXRCSA-N	0	1	394.497	0.640	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1	ZINC000290466506	1189409961	/nfs/dbraw/zinc/40/99/61/1189409961.db2.gz	UODFUVROKVTBMG-MRXNPFEDSA-N	0	1	392.481	0.017	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1	ZINC000290650546	1189429372	/nfs/dbraw/zinc/42/93/72/1189429372.db2.gz	AGHMINXHEPMJOL-INIZCTEOSA-N	0	1	392.481	0.017	20	30		GCEDMN
Cc1nsc(N2CCN(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)c1C#N	ZINC000290672430	1189433154	/nfs/dbraw/zinc/43/31/54/1189433154.db2.gz	HGNGQGVSHMQCGJ-CQSZACIVSA-N	0	1	377.518	0.401	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)CC1	ZINC000974666114	1189868608	/nfs/dbraw/zinc/86/86/08/1189868608.db2.gz	RWADRARRHNZXKV-KEDMDAKRSA-N	0	1	397.519	0.814	20	30		GCEDMN
C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)c1ccc(C#N)cc1	ZINC000419296941	1193792810	/nfs/dbraw/zinc/79/28/10/1193792810.db2.gz	YHADZLSOXKQOSS-YJBOKZPZSA-N	0	1	397.479	0.406	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1OCC	ZINC000982739721	1193886690	/nfs/dbraw/zinc/88/66/90/1193886690.db2.gz	MNRUZOLRYSULJG-TXCZRRACSA-N	0	1	376.457	0.903	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1	ZINC000501420275	1194148101	/nfs/dbraw/zinc/14/81/01/1194148101.db2.gz	IEEGXKYUANEVDS-HNNXBMFYSA-N	0	1	398.492	0.982	20	30		GCEDMN
CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)N(CCC#N)CCC#N)cc1	ZINC000271829300	1194416131	/nfs/dbraw/zinc/41/61/31/1194416131.db2.gz	RJXXVNKIJPAFED-AWEZNQCLSA-N	0	1	377.470	0.901	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1OCC	ZINC000983128462	1194584851	/nfs/dbraw/zinc/58/48/51/1194584851.db2.gz	YJNXWLCZOVSHTK-LVQVYYBASA-N	0	1	391.472	0.688	20	30		GCEDMN
C#CCC1(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CCOCC1	ZINC000889028059	1194692296	/nfs/dbraw/zinc/69/22/96/1194692296.db2.gz	WVIBKYKTNXZLOF-ALOPSCKCSA-N	0	1	376.501	0.942	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000785394544	1194726448	/nfs/dbraw/zinc/72/64/48/1194726448.db2.gz	BUFARSRNUMLUIO-INIZCTEOSA-N	0	1	376.432	0.787	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCN1	ZINC000423230553	1194742237	/nfs/dbraw/zinc/74/22/37/1194742237.db2.gz	JKHRYBIMZGSKRA-CQSZACIVSA-N	0	1	383.452	0.556	20	30		GCEDMN
C[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000423639003	1194776531	/nfs/dbraw/zinc/77/65/31/1194776531.db2.gz	BUZYFMHKIOFXCO-HNNXBMFYSA-N	0	1	392.463	0.575	20	30		GCEDMN
CCC(CC)(NC(=O)C1CN(CCC(=O)Nc2cccc(C#N)c2)C1)C(N)=O	ZINC000504696298	1194803612	/nfs/dbraw/zinc/80/36/12/1194803612.db2.gz	XBPVFXSRWFAFGI-UHFFFAOYSA-N	0	1	385.468	0.979	20	30		GCEDMN
COC[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCO1	ZINC000434789785	1194870092	/nfs/dbraw/zinc/87/00/92/1194870092.db2.gz	ZWMIRMDAFJOZKY-HOTGVXAUSA-N	0	1	377.445	0.287	20	30		GCEDMN
COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CC1=O	ZINC000425317173	1194909444	/nfs/dbraw/zinc/90/94/44/1194909444.db2.gz	MUBQKDOZOJOFTQ-OAHLLOKOSA-N	0	1	376.432	0.535	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000515163420	1194951080	/nfs/dbraw/zinc/95/10/80/1194951080.db2.gz	QCFFCACGOAHQHW-UHFFFAOYSA-N	0	1	376.509	0.464	20	30		GCEDMN
C=CCOC[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)C(=O)OC	ZINC000435947449	1194975784	/nfs/dbraw/zinc/97/57/84/1194975784.db2.gz	FALLTMOCQJDJHZ-GOSISDBHSA-N	0	1	375.469	0.908	20	30		GCEDMN
C=CCn1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)nn1	ZINC000425565963	1195010655	/nfs/dbraw/zinc/01/06/55/1195010655.db2.gz	PIANQRRLESTFCX-VHRNVKJDSA-N	0	1	375.477	0.347	20	30		GCEDMN
CC(=O)N[C@@H](CS)C(=O)N1CC[C@H]2CN(Cc3cc(C#N)n(C)c3)C[C@H]21	ZINC001270179407	1195076993	/nfs/dbraw/zinc/07/69/93/1195076993.db2.gz	LZVIOOAMDJBFNZ-BHYGNILZSA-N	0	1	375.498	0.364	20	30		GCEDMN
CCOCCN1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270293043	1195177813	/nfs/dbraw/zinc/17/78/13/1195177813.db2.gz	FXELEENGQSIKLQ-AWEZNQCLSA-N	0	1	377.466	0.907	20	30		GCEDMN
C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCN([C@@H]2CCCN(C)C2=O)CC1	ZINC001270331854	1195207355	/nfs/dbraw/zinc/20/73/55/1195207355.db2.gz	NXZRVBADOIITKW-FZWBFHRNSA-N	0	1	385.508	0.957	20	30		GCEDMN
COCCNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1	ZINC000518026910	1195239886	/nfs/dbraw/zinc/23/98/86/1195239886.db2.gz	UKHQQZXXSNIPMW-UHFFFAOYSA-N	0	1	380.470	0.329	20	30		GCEDMN
C=CCN1C(=O)c2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2C1=O	ZINC000518606938	1195309268	/nfs/dbraw/zinc/30/92/68/1195309268.db2.gz	MYBBSHQCTQMASO-MRXNPFEDSA-N	0	1	384.436	0.538	20	30		GCEDMN
C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCC[C@@H]3C(N)=O)cc2C1=O	ZINC000518606938	1195309273	/nfs/dbraw/zinc/30/92/73/1195309273.db2.gz	MYBBSHQCTQMASO-MRXNPFEDSA-N	0	1	384.436	0.538	20	30		GCEDMN
N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000439621917	1195336153	/nfs/dbraw/zinc/33/61/53/1195336153.db2.gz	XVTHANXGNUESKO-UHFFFAOYSA-N	0	1	375.392	1.543	20	30		GCEDMN
CN(CC(=O)NC1(C#N)CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000518818092	1195337162	/nfs/dbraw/zinc/33/71/62/1195337162.db2.gz	WTVIUVBMUVHTPT-UHFFFAOYSA-N	0	1	375.454	0.283	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1	ZINC000518817874	1195337206	/nfs/dbraw/zinc/33/72/06/1195337206.db2.gz	LNEDVYJVYIUIEJ-UHFFFAOYSA-N	0	1	381.436	0.162	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000894423310	1195423405	/nfs/dbraw/zinc/42/34/05/1195423405.db2.gz	RDFOBHPUBZEINO-LJQANCHMSA-N	0	1	398.511	0.548	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000520246517	1195611511	/nfs/dbraw/zinc/61/15/11/1195611511.db2.gz	QPRBIPSOAFATHA-UHFFFAOYSA-N	0	1	386.424	0.737	20	30		GCEDMN
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1	ZINC000328632314	1195656983	/nfs/dbraw/zinc/65/69/83/1195656983.db2.gz	AFCYHNJCOOWAKJ-CVEARBPZSA-N	0	1	388.534	0.226	20	30		GCEDMN
COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[C@H](CN3CCOCC3)C1)CC2	ZINC000328716111	1195662543	/nfs/dbraw/zinc/66/25/43/1195662543.db2.gz	TVECCOCNTWFECO-HZPDHXFCSA-N	0	1	392.504	0.698	20	30		GCEDMN
CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3ncnn3C2)Cc2ccccc21	ZINC000328896569	1195675179	/nfs/dbraw/zinc/67/51/79/1195675179.db2.gz	CDTBIOMQSBFZNK-AWEZNQCLSA-N	0	1	390.469	0.789	20	30		GCEDMN
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCOC[C@H]1c1nnc[nH]1	ZINC000328939843	1195677077	/nfs/dbraw/zinc/67/70/77/1195677077.db2.gz	KOGPVQVCHZDBES-HNNXBMFYSA-N	0	1	386.412	0.896	20	30		GCEDMN
CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@H]3CCN(C)C[C@@H]32)ccc1C	ZINC000328993524	1195684837	/nfs/dbraw/zinc/68/48/37/1195684837.db2.gz	DVHKYTFXGARZLE-HOTGVXAUSA-N	0	1	396.513	0.896	20	30		GCEDMN
CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000330644998	1195698609	/nfs/dbraw/zinc/69/86/09/1195698609.db2.gz	GEBILNHCUBPYNP-IRXDYDNUSA-N	0	1	383.537	0.540	20	30		GCEDMN
CCCS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CC1	ZINC000330644882	1195698694	/nfs/dbraw/zinc/69/86/94/1195698694.db2.gz	HVXUGGPAMUESRT-HNNXBMFYSA-N	0	1	389.566	0.330	20	30		GCEDMN
CC[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC)cn2)CCN1C[C@H](C)O	ZINC000331175208	1195722914	/nfs/dbraw/zinc/72/29/14/1195722914.db2.gz	PIXNHKOBECGKER-QWHCGFSZSA-N	0	1	385.490	0.312	20	30		GCEDMN
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1	ZINC000331190873	1195723289	/nfs/dbraw/zinc/72/32/89/1195723289.db2.gz	LGHQUOJGZUTLJX-ZDUSSCGKSA-N	0	1	399.517	0.654	20	30		GCEDMN
COCCO[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000536375240	1195751568	/nfs/dbraw/zinc/75/15/68/1195751568.db2.gz	SHEOPLFYVUNYMF-MRXNPFEDSA-N	0	1	391.472	0.631	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)CC1	ZINC000092618845	1195779269	/nfs/dbraw/zinc/77/92/69/1195779269.db2.gz	FLMAMUVIOXCORV-MOPGFXCFSA-N	0	1	377.533	0.333	20	30		GCEDMN
Cn1c2ncc(NS(=O)(=O)c3ccc(C#N)c(F)c3)cc2c(=O)n(C)c1=O	ZINC000427770152	1195873773	/nfs/dbraw/zinc/87/37/73/1195873773.db2.gz	YNBOGQBCDYYBSY-UHFFFAOYSA-N	0	1	389.368	0.444	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000521160218	1195969825	/nfs/dbraw/zinc/96/98/25/1195969825.db2.gz	UEJBMKQMHBIZQC-INIZCTEOSA-N	0	1	378.498	0.740	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1	ZINC000521603106	1196005013	/nfs/dbraw/zinc/00/50/13/1196005013.db2.gz	SOMHPUYYJIFVMY-UHFFFAOYSA-N	0	1	397.526	0.470	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1	ZINC000521860377	1196020697	/nfs/dbraw/zinc/02/06/97/1196020697.db2.gz	LSNMZBDINZTFMF-OAHLLOKOSA-N	0	1	384.436	0.915	20	30		GCEDMN
COc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1S(=O)(=O)N(C)C	ZINC000521859353	1196020991	/nfs/dbraw/zinc/02/09/91/1196020991.db2.gz	UUGUUDXKFSFLKY-UHFFFAOYSA-N	0	1	380.470	0.663	20	30		GCEDMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H]2CCN(C)C[C@@H]21	ZINC000328921890	1196062932	/nfs/dbraw/zinc/06/29/32/1196062932.db2.gz	BVFOKBVHSCFHID-JKSUJKDBSA-N	0	1	382.486	0.635	20	30		GCEDMN
O=C(NCC#C[C@H]1CCCCO1)N[C@H]1CCCN(CCN2CCOCC2)C1	ZINC000896468657	1196149485	/nfs/dbraw/zinc/14/94/85/1196149485.db2.gz	BHVHGGQBWSVGMP-RBUKOAKNSA-N	0	1	378.517	0.655	20	30		GCEDMN
O=C(NCC#C[C@H]1CCCCO1)N[C@@H]1CCCN(CCN2CCOCC2)C1	ZINC000896468660	1196149671	/nfs/dbraw/zinc/14/96/71/1196149671.db2.gz	BHVHGGQBWSVGMP-RTBURBONSA-N	0	1	378.517	0.655	20	30		GCEDMN
CC(=O)N1CCC[C@](O)(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1	ZINC000329059402	1196160493	/nfs/dbraw/zinc/16/04/93/1196160493.db2.gz	UIXHYFAFRWLSAR-LJQANCHMSA-N	0	1	375.473	0.663	20	30		GCEDMN
CN1CC(=O)N(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@H+]2C3)C1=O	ZINC000329139067	1196167358	/nfs/dbraw/zinc/16/73/58/1196167358.db2.gz	SGVNMOUASBTOCS-HOTGVXAUSA-N	0	1	399.451	0.436	20	30		GCEDMN
CN1CC(=O)N(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1=O	ZINC000329139067	1196167361	/nfs/dbraw/zinc/16/73/61/1196167361.db2.gz	SGVNMOUASBTOCS-HOTGVXAUSA-N	0	1	399.451	0.436	20	30		GCEDMN
NS(=O)(=O)[C@@H]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1	ZINC000329142836	1196168153	/nfs/dbraw/zinc/16/81/53/1196168153.db2.gz	LOZJFQATVZUCRU-OAHLLOKOSA-N	0	1	388.534	0.341	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)CC2)C1=O	ZINC000329157582	1196170153	/nfs/dbraw/zinc/17/01/53/1196170153.db2.gz	DFNLLJOSDXGYLT-INIZCTEOSA-N	0	1	399.451	0.754	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)CC2)C1=O	ZINC000329157585	1196170226	/nfs/dbraw/zinc/17/02/26/1196170226.db2.gz	DFNLLJOSDXGYLT-MRXNPFEDSA-N	0	1	399.451	0.754	20	30		GCEDMN
CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1	ZINC000329261319	1196180903	/nfs/dbraw/zinc/18/09/03/1196180903.db2.gz	AXBBOTMZRNTEDV-QWHCGFSZSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N[C@@H]1CCCN(S(C)(=O)=O)C1)CC2	ZINC000329265992	1196181405	/nfs/dbraw/zinc/18/14/05/1196181405.db2.gz	CQGANWGJEAXFCS-CHWSQXEVSA-N	0	1	384.506	0.644	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)CC2	ZINC000329265992	1196181408	/nfs/dbraw/zinc/18/14/08/1196181408.db2.gz	CQGANWGJEAXFCS-CHWSQXEVSA-N	0	1	384.506	0.644	20	30		GCEDMN
O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000329299506	1196183363	/nfs/dbraw/zinc/18/33/63/1196183363.db2.gz	LZDAZVJAQMFOQZ-LSDHHAIUSA-N	0	1	396.517	0.833	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000329310801	1196184634	/nfs/dbraw/zinc/18/46/34/1196184634.db2.gz	FYLSZJPPGVSQAX-HNNXBMFYSA-N	0	1	386.500	0.848	20	30		GCEDMN
CN1CCN(c2ncccc2CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000329310803	1196184975	/nfs/dbraw/zinc/18/49/75/1196184975.db2.gz	FYLSZJPPGVSQAX-OAHLLOKOSA-N	0	1	386.500	0.848	20	30		GCEDMN
Cc1nccn1CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329321336	1196185251	/nfs/dbraw/zinc/18/52/51/1196185251.db2.gz	JCVWTCHIWUKRKE-OAHLLOKOSA-N	0	1	385.490	0.232	20	30		GCEDMN
Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n[nH]1	ZINC000329339977	1196186796	/nfs/dbraw/zinc/18/67/96/1196186796.db2.gz	OBBJHNXBBOCSGJ-BBRMVZONSA-N	0	1	399.517	0.690	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)CC2	ZINC000329349181	1196187894	/nfs/dbraw/zinc/18/78/94/1196187894.db2.gz	SOAADZBJPSHDRM-UONOGXRCSA-N	0	1	398.533	0.892	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)N1CCN(C)CC1	ZINC000329437027	1196195486	/nfs/dbraw/zinc/19/54/86/1196195486.db2.gz	JYGXOPVPRLKGFK-KBXCAEBGSA-N	0	1	380.493	0.003	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C(=O)N3CCCC3)C1)CC2	ZINC000329467622	1196198783	/nfs/dbraw/zinc/19/87/83/1196198783.db2.gz	WSEXXAZCOUBEME-ZIAGYGMSSA-N	0	1	376.461	0.598	20	30		GCEDMN
C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2	ZINC001719896869	1196204136	/nfs/dbraw/zinc/20/41/36/1196204136.db2.gz	VXRVNRQRHSYCFE-TVFCKZIOSA-N	0	1	376.501	0.801	20	30		GCEDMN
CCn1cc([C@@H]2CS(=O)(=O)CCN2C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)cn1	ZINC000329617624	1196210436	/nfs/dbraw/zinc/21/04/36/1196210436.db2.gz	QFZPWJNWYVCBPH-CJNGLKHVSA-N	0	1	392.485	0.869	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)CC2	ZINC000329857995	1196234492	/nfs/dbraw/zinc/23/44/92/1196234492.db2.gz	ZSWFZKVUWGIUBE-HZPDHXFCSA-N	0	1	392.504	0.840	20	30		GCEDMN
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](N3CCOCC3)[C@@H](C)C1)CC2	ZINC000329855747	1196234706	/nfs/dbraw/zinc/23/47/06/1196234706.db2.gz	XOWQNYHEEYFURH-ZNMIVQPWSA-N	0	1	378.477	0.306	20	30		GCEDMN
Cc1[nH]ncc1CNC(=O)N1CCO[C@H](CN(C)c2nccn(C)c2=O)C1	ZINC000329907218	1196237894	/nfs/dbraw/zinc/23/78/94/1196237894.db2.gz	KRNRSWAXKAFTJM-CQSZACIVSA-N	0	1	375.433	0.063	20	30		GCEDMN
COCCC(=O)N1CCC(NC(=O)N2CCO[C@H](Cn3cccn3)C2)CC1	ZINC000330221237	1196260327	/nfs/dbraw/zinc/26/03/27/1196260327.db2.gz	LNPQEXFGHGRNGA-INIZCTEOSA-N	0	1	379.461	0.525	20	30		GCEDMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)C1	ZINC000330234701	1196260462	/nfs/dbraw/zinc/26/04/62/1196260462.db2.gz	GODOINDCVAVKLJ-SJLPKXTDSA-N	0	1	393.532	0.391	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cn2)CC1	ZINC000330256303	1196262101	/nfs/dbraw/zinc/26/21/01/1196262101.db2.gz	QAAALYJWWHWGOC-MRXNPFEDSA-N	0	1	386.500	0.990	20	30		GCEDMN
CC(C)N1C[C@H](NC(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)CC1=O	ZINC000330263012	1196262298	/nfs/dbraw/zinc/26/22/98/1196262298.db2.gz	VZCYRMOUISSDNW-QZTJIDSGSA-N	0	1	395.548	0.637	20	30		GCEDMN
CC(C)N1C[C@@H](NC(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)CC1=O	ZINC000330263013	1196262530	/nfs/dbraw/zinc/26/25/30/1196262530.db2.gz	VZCYRMOUISSDNW-ZWKOTPCHSA-N	0	1	395.548	0.637	20	30		GCEDMN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1	ZINC000487453072	1196288662	/nfs/dbraw/zinc/28/86/62/1196288662.db2.gz	BZYNUXRXLYIWPV-FVQBIDKESA-N	0	1	381.498	0.713	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO	ZINC000281712020	1196323318	/nfs/dbraw/zinc/32/33/18/1196323318.db2.gz	DEKUWTHKEGEBGY-BPQIPLTHSA-N	0	1	380.514	0.795	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO	ZINC000281712021	1196323502	/nfs/dbraw/zinc/32/35/02/1196323502.db2.gz	DEKUWTHKEGEBGY-KBAYOESNSA-N	0	1	380.514	0.795	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO	ZINC000281708259	1196324450	/nfs/dbraw/zinc/32/44/50/1196324450.db2.gz	CQQJJYOEQPVEMR-NXHRZFHOSA-N	0	1	380.514	0.795	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCOCC3)C[C@H]2C1	ZINC001088112576	1196365000	/nfs/dbraw/zinc/36/50/00/1196365000.db2.gz	MLZDFGJYOPNEDO-XDNAFOTISA-N	0	1	377.485	0.217	20	30		GCEDMN
CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1C#N	ZINC000525390651	1196677876	/nfs/dbraw/zinc/67/78/76/1196677876.db2.gz	DIASTNIBHMQVSY-CQSZACIVSA-N	0	1	389.481	0.759	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCNCC3)CC2)c(Cl)c1	ZINC000528049472	1196830692	/nfs/dbraw/zinc/83/06/92/1196830692.db2.gz	ZXLZPBKUQALGGO-UHFFFAOYSA-N	0	1	397.888	0.543	20	30		GCEDMN
N#Cc1ccccc1OC[C@H](O)CN1CCCN(CC(=O)N2CCCC2)CC1	ZINC000528354772	1196852452	/nfs/dbraw/zinc/85/24/52/1196852452.db2.gz	ZULGUEFVLUTCGX-LJQANCHMSA-N	0	1	386.496	0.928	20	30		GCEDMN
Cc1nc(SCC(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)c(C#N)c(C)c1C	ZINC000449107029	1196853276	/nfs/dbraw/zinc/85/32/76/1196853276.db2.gz	LARZBTWGTUJZBI-HUUCEWRRSA-N	0	1	392.481	0.559	20	30		GCEDMN
COCCO[C@@H]1C[C@@H](CO)CN(CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528481665	1196864313	/nfs/dbraw/zinc/86/43/13/1196864313.db2.gz	RJNAJNFOTFFRFQ-IAGOWNOFSA-N	0	1	386.448	0.632	20	30		GCEDMN
N#Cc1ccccc1OC[C@@H](O)CN1CCC(N2CCCS2(=O)=O)CC1	ZINC000528525023	1196865634	/nfs/dbraw/zinc/86/56/34/1196865634.db2.gz	ZROHWPQLSDZJPD-KRWDZBQOSA-N	0	1	379.482	0.798	20	30		GCEDMN
COC[C@]1(C(=O)OC)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000451334956	1196989234	/nfs/dbraw/zinc/98/92/34/1196989234.db2.gz	MCEGMCGMXXTHTM-APWZRJJASA-N	0	1	380.489	0.190	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O	ZINC000451678528	1197006804	/nfs/dbraw/zinc/00/68/04/1197006804.db2.gz	WUYQFRUDUXEUMS-WBVHZDCISA-N	0	1	398.463	0.683	20	30		GCEDMN
C[C@@H]1CCNC(=O)[C@@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000193661921	1197148938	/nfs/dbraw/zinc/14/89/38/1197148938.db2.gz	XGDCKMNYXNZECW-JKIFEVAISA-N	0	1	375.498	0.571	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(C)(C)O)C[C@@H]2C)CC1	ZINC000189408040	1197237036	/nfs/dbraw/zinc/23/70/36/1197237036.db2.gz	JLWIACOJGBQXGD-ROUUACIJSA-N	0	1	379.549	0.456	20	30		GCEDMN
N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(C3CC3)nn2)C1	ZINC000349602609	1197261167	/nfs/dbraw/zinc/26/11/67/1197261167.db2.gz	QJHIAZLOSKLBKX-UHFFFAOYSA-N	0	1	399.498	0.661	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@H]2C)CC1	ZINC000988300475	1197306344	/nfs/dbraw/zinc/30/63/44/1197306344.db2.gz	QNLIHAIRACIPPX-XYVMCAHJSA-N	0	1	388.512	0.352	20	30		GCEDMN
CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2	ZINC000245961337	1197441043	/nfs/dbraw/zinc/44/10/43/1197441043.db2.gz	DITNTKIJYNEDQS-CEXWTWQISA-N	0	1	392.544	0.931	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)n(CCC#N)n1	ZINC000533467377	1197453399	/nfs/dbraw/zinc/45/33/99/1197453399.db2.gz	DGNQTESAVJQXQB-GJZGRUSLSA-N	0	1	376.461	0.659	20	30		GCEDMN
C=CCNC(=O)CNCc1ccc(OCC(=O)N2CCOCC2)c(OC)c1	ZINC000272050459	1197560350	/nfs/dbraw/zinc/56/03/50/1197560350.db2.gz	XTYPSSUUBYQSRF-UHFFFAOYSA-N	0	1	377.441	0.325	20	30		GCEDMN
C=CCNC(=O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-]	ZINC000272004426	1197561101	/nfs/dbraw/zinc/56/11/01/1197561101.db2.gz	KYSWNOTXYKEWFW-UHFFFAOYSA-N	0	1	385.446	0.149	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)NCCN1CCN(Cc2ccccc2)CC1	ZINC000272807101	1197564945	/nfs/dbraw/zinc/56/49/45/1197564945.db2.gz	FXDHKKSOAPWFBI-UHFFFAOYSA-N	0	1	394.541	0.704	20	30		GCEDMN
C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c(OC)c1	ZINC000459516725	1197582450	/nfs/dbraw/zinc/58/24/50/1197582450.db2.gz	CLFGFZXPWYRMAD-ULQDDVLXSA-N	0	1	376.453	0.753	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000265715877	1198971740	/nfs/dbraw/zinc/97/17/40/1198971740.db2.gz	XRVYVGSQCDKLDB-HXUWFJFHSA-N	0	1	391.475	0.782	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)cc1	ZINC000542821309	1199065640	/nfs/dbraw/zinc/06/56/40/1199065640.db2.gz	HUYREAZZEIOACG-UHFFFAOYSA-N	0	1	396.432	0.976	20	30		GCEDMN
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000765984929	1199755286	/nfs/dbraw/zinc/75/52/86/1199755286.db2.gz	CZYNWESPTJMXEA-GYXQTMOZSA-N	0	1	376.335	0.332	20	30		GCEDMN
CN(CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)S(=O)(=O)c1ccc(C#N)cc1	ZINC000329430733	1199841322	/nfs/dbraw/zinc/84/13/22/1199841322.db2.gz	KFKKBBVBUXCLRF-DOTOQJQBSA-N	0	1	376.482	0.731	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCc4[nH]nnc4C2)C3)c[nH]1	ZINC001004334487	1199861471	/nfs/dbraw/zinc/86/14/71/1199861471.db2.gz	FNQDXWSOKSQFEY-IXZQUYOESA-N	0	1	379.424	0.671	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCc4nn[nH]c4C2)C3)c[nH]1	ZINC001004334487	1199861473	/nfs/dbraw/zinc/86/14/73/1199861473.db2.gz	FNQDXWSOKSQFEY-IXZQUYOESA-N	0	1	379.424	0.671	20	30		GCEDMN
CC(C)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1C	ZINC000331150722	1199866997	/nfs/dbraw/zinc/86/69/97/1199866997.db2.gz	OKGCHCIJWOOYIV-KRWDZBQOSA-N	0	1	378.498	0.977	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(n4cncn4)CC3)CC2)o1	ZINC000156556547	1199900412	/nfs/dbraw/zinc/90/04/12/1199900412.db2.gz	BRVKABUXHSVIDE-UHFFFAOYSA-N	0	1	384.444	0.432	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O	ZINC001083848655	1200003749	/nfs/dbraw/zinc/00/37/49/1200003749.db2.gz	QOKCKJJYOVSJGQ-ZMMAXQRCSA-N	0	1	379.501	0.532	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1OC	ZINC000946819084	1200175993	/nfs/dbraw/zinc/17/59/93/1200175993.db2.gz	XMWQPBALORLNMM-LFVTVUPYSA-N	0	1	388.468	0.694	20	30		GCEDMN
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC(OC)CC2)cc1	ZINC000674321092	1200223070	/nfs/dbraw/zinc/22/30/70/1200223070.db2.gz	OOZKMMUELJSVLC-UHFFFAOYSA-N	0	1	388.468	0.768	20	30		GCEDMN
C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1	ZINC001129104027	1200464876	/nfs/dbraw/zinc/46/48/76/1200464876.db2.gz	ZBNKOSBXKLJBCK-MANSERQUSA-N	0	1	389.500	0.885	20	30		GCEDMN
Cn1ccnc1-c1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[nH]n1	ZINC000377939130	1200618382	/nfs/dbraw/zinc/61/83/82/1200618382.db2.gz	BAOQXWBTZRABFN-UHFFFAOYSA-N	0	1	385.409	0.599	20	30		GCEDMN
Cn1ccnc1-c1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[nH]n1	ZINC000589455270	1200618879	/nfs/dbraw/zinc/61/88/79/1200618879.db2.gz	IHNGQOFPVAGPNB-UHFFFAOYSA-N	0	1	385.409	0.599	20	30		GCEDMN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1	ZINC000374476981	1200776719	/nfs/dbraw/zinc/77/67/19/1200776719.db2.gz	YEMVRSZFYWYPQB-HNNXBMFYSA-N	0	1	388.472	0.845	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCOC[C@H]1c1nnc[nH]1	ZINC000585801796	1200969894	/nfs/dbraw/zinc/96/98/94/1200969894.db2.gz	VBGOXZURBWJIAM-ZDUSSCGKSA-N	0	1	379.384	1.171	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)[C@H](OC)C2)CC1	ZINC000946898835	1201000452	/nfs/dbraw/zinc/00/04/52/1201000452.db2.gz	ZAOOZGNTEDAQBM-VDHUWJSZSA-N	0	1	377.485	0.241	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000542825819	1201104072	/nfs/dbraw/zinc/10/40/72/1201104072.db2.gz	TUFHKJSLCDCOPQ-AWEZNQCLSA-N	0	1	377.493	0.794	20	30		GCEDMN
N#CC(C(=O)c1ccc2n[nH]c(=O)n2c1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000536715402	1201159795	/nfs/dbraw/zinc/15/97/95/1201159795.db2.gz	TWGFLRFZVKZQQZ-LBPRGKRZSA-N	0	1	387.363	0.858	20	30		GCEDMN
COCCN(C(=O)CN[C@H](C)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000611388018	1201235774	/nfs/dbraw/zinc/23/57/74/1201235774.db2.gz	WCZQQPLONPAMEA-PBHICJAKSA-N	0	1	379.482	0.871	20	30		GCEDMN
C[C@@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1	ZINC000611386537	1201235791	/nfs/dbraw/zinc/23/57/91/1201235791.db2.gz	MVUGNEGBPNADKU-CRAIPNDOSA-N	0	1	390.509	0.540	20	30		GCEDMN
C#CCN1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@H]32)CC1	ZINC001079165209	1201248482	/nfs/dbraw/zinc/24/84/82/1201248482.db2.gz	JBQIUUZCZVEWMJ-PHUPPTAPSA-N	0	1	398.507	0.502	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(CC(=O)N(C)C)CC2)[C@H]2COC[C@H]21	ZINC001079261882	1201250758	/nfs/dbraw/zinc/25/07/58/1201250758.db2.gz	MWNWBBYYJBZUCA-XDNAFOTISA-N	0	1	391.512	0.605	20	30		GCEDMN
C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC001080436426	1201271075	/nfs/dbraw/zinc/27/10/75/1201271075.db2.gz	ZGDFZOCXNJWJQO-NKGKWGDASA-N	0	1	386.452	0.558	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1	ZINC000728071042	1201397320	/nfs/dbraw/zinc/39/73/20/1201397320.db2.gz	UJXXVAITBYNEAF-UHFFFAOYSA-N	0	1	381.436	0.671	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]21	ZINC001084712542	1201441046	/nfs/dbraw/zinc/44/10/46/1201441046.db2.gz	MGHNIACWQKBWMM-XDNAFOTISA-N	0	1	376.501	0.916	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3[nH]nc4c3CCCC4)CC2)o1	ZINC000731702609	1201496283	/nfs/dbraw/zinc/49/62/83/1201496283.db2.gz	CXLSEOHEPGKQRN-UHFFFAOYSA-N	0	1	398.423	0.962	20	30		GCEDMN
CCCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1nn[nH]n1	ZINC000731873395	1201506857	/nfs/dbraw/zinc/50/68/57/1201506857.db2.gz	RGNGYDVYMOHXQL-LLVKDONJSA-N	0	1	377.430	0.113	20	30		GCEDMN
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CN(C)CCN2C)ccc1F	ZINC000732149749	1201524977	/nfs/dbraw/zinc/52/49/77/1201524977.db2.gz	ONFPHZOLSKLDJE-AWEZNQCLSA-N	0	1	384.477	0.266	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1n[nH]c(-c2ccccc2)n1	ZINC000732466868	1201545205	/nfs/dbraw/zinc/54/52/05/1201545205.db2.gz	SGALLWXRXKJZDG-ICFOKQHNSA-N	0	1	381.396	0.797	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1nc(-c2ccccc2)n[nH]1	ZINC000732466868	1201545207	/nfs/dbraw/zinc/54/52/07/1201545207.db2.gz	SGALLWXRXKJZDG-ICFOKQHNSA-N	0	1	381.396	0.797	20	30		GCEDMN
O=C([O-])COc1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1	ZINC000733202256	1201579983	/nfs/dbraw/zinc/57/99/83/1201579983.db2.gz	YSONGIPTOBCRTB-UHFFFAOYSA-N	0	1	380.470	0.670	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](c1nncn1C)C(C)C)c1ccn[nH]1	ZINC000804256892	1201609901	/nfs/dbraw/zinc/60/99/01/1201609901.db2.gz	RVYBVVQZUHKRFX-CYBMUJFWSA-N	0	1	377.405	0.336	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1	ZINC000735937656	1201706012	/nfs/dbraw/zinc/70/60/12/1201706012.db2.gz	LIMCRXPZPYOJOA-CYBMUJFWSA-N	0	1	393.465	0.549	20	30		GCEDMN
COc1ccc(CNC(=O)C(C#N)C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1	ZINC000744037632	1201834372	/nfs/dbraw/zinc/83/43/72/1201834372.db2.gz	ZJSNEWHPEUNCHZ-KLSXAPCHSA-N	0	1	398.419	0.789	20	30		GCEDMN
CN(C)c1nc(N)nc(CON=C(N)c2ccc(N3CCC(O)CC3)cc2)n1	ZINC000744442962	1201843836	/nfs/dbraw/zinc/84/38/36/1201843836.db2.gz	OTJDNDDKYAQFKG-UHFFFAOYSA-N	0	1	386.460	0.318	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001273426852	1201859381	/nfs/dbraw/zinc/85/93/81/1201859381.db2.gz	CUIBPSNPPPYVSR-TZMCWYRMSA-N	0	1	395.506	0.440	20	30		GCEDMN
CS(=O)(=O)CCNC(=O)C12CC(NC(=O)C(C#N)Cc3cccs3)(C1)C2	ZINC001273427979	1201861466	/nfs/dbraw/zinc/86/14/66/1201861466.db2.gz	PBWBEMQQAJWVBW-CDEQTRAXSA-N	0	1	395.506	0.630	20	30		GCEDMN
O=C(CCN1CCN(c2ccccn2)CC1)NCCNC(=O)C1N=CC=CC1=O	ZINC000746019967	1201896011	/nfs/dbraw/zinc/89/60/11/1201896011.db2.gz	DZBDMPJRDCKVRW-VXPUYCOJSA-N	0	1	398.467	0.236	20	30		GCEDMN
CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CO1	ZINC001169368825	1201944044	/nfs/dbraw/zinc/94/40/44/1201944044.db2.gz	UIBUUUWXVNAPHH-WOPDTQHZSA-N	0	1	386.407	0.113	20	30		GCEDMN
C=CCN1CCN(C)C2(CCN([C@@H]3CC[C@H](C(=O)OCC)OC3)CC2)C1=O	ZINC001169399872	1201946320	/nfs/dbraw/zinc/94/63/20/1201946320.db2.gz	WYWOXSHYAYHULO-IAGOWNOFSA-N	0	1	379.501	0.892	20	30		GCEDMN
C=CCCCN1CC(N2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2=O)C1	ZINC001108557630	1201957076	/nfs/dbraw/zinc/95/70/76/1201957076.db2.gz	VPARUIHKTTVYLQ-JHDROBOHSA-N	0	1	377.485	0.405	20	30		GCEDMN
CCC[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000767123859	1201966941	/nfs/dbraw/zinc/96/69/41/1201966941.db2.gz	ULXKHCGRUPAHKL-AMGRQBIBSA-N	0	1	378.473	0.862	20	30		GCEDMN
C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1CCCC1=O	ZINC001109122150	1201997495	/nfs/dbraw/zinc/99/74/95/1201997495.db2.gz	XLWJBIXQSKESNX-BDXSIMOUSA-N	0	1	379.501	0.674	20	30		GCEDMN
CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O	ZINC001109261279	1202010115	/nfs/dbraw/zinc/01/01/15/1202010115.db2.gz	YWMAKZXSRGLGEA-UGUYLWEFSA-N	0	1	375.469	0.267	20	30		GCEDMN
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2	ZINC001109479954	1202060055	/nfs/dbraw/zinc/06/00/55/1202060055.db2.gz	MYJVNYJZMZKJKB-DQYPLSBCSA-N	0	1	379.420	0.503	20	30		GCEDMN
Cc1ccc(C)c2c1CCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000769798363	1202072731	/nfs/dbraw/zinc/07/27/31/1202072731.db2.gz	ANXMVBAUXDUJHU-UHFFFAOYSA-N	0	1	390.465	0.720	20	30		GCEDMN
Cn1cnn(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)cc2)c1=O	ZINC001109558181	1202078857	/nfs/dbraw/zinc/07/88/57/1202078857.db2.gz	QKCCYIISFTVFCP-SQNIBIBYSA-N	0	1	380.452	0.765	20	30		GCEDMN
C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O	ZINC001109566426	1202082038	/nfs/dbraw/zinc/08/20/38/1202082038.db2.gz	BXGWXKODRVRNEQ-MMMWYMCRSA-N	0	1	378.473	0.489	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(-n2cnnn2)c1)c1ccn[nH]1	ZINC000770819118	1202114655	/nfs/dbraw/zinc/11/46/55/1202114655.db2.gz	JTKOOODEEXQWNG-UHFFFAOYSA-N	0	1	384.356	0.308	20	30		GCEDMN
N#CCOc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cnnn2)C3)cc1	ZINC001109879991	1202140988	/nfs/dbraw/zinc/14/09/88/1202140988.db2.gz	VNFAIFWMEWJJSZ-NJAFHUGGSA-N	0	1	381.440	0.887	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CC1	ZINC000771493672	1202144210	/nfs/dbraw/zinc/14/42/10/1202144210.db2.gz	NWFQZGYNOXLRNO-KRWDZBQOSA-N	0	1	395.459	0.855	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCCc3cc(F)ccc32)c(=O)n(C)c1=O	ZINC000771890362	1202167886	/nfs/dbraw/zinc/16/78/86/1202167886.db2.gz	PRTSKRLHDKVQDD-UHFFFAOYSA-N	0	1	380.401	0.242	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000771890157	1202168018	/nfs/dbraw/zinc/16/80/18/1202168018.db2.gz	DNOHJEZEZMIKOA-UHFFFAOYSA-N	0	1	395.397	0.085	20	30		GCEDMN
COc1cc(C)ccc1C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771892388	1202168487	/nfs/dbraw/zinc/16/84/87/1202168487.db2.gz	QRZWPYAKMHOGSU-UHFFFAOYSA-N	0	1	380.426	0.104	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OC(C)C)cc1	ZINC000771891036	1202168504	/nfs/dbraw/zinc/16/85/04/1202168504.db2.gz	RFDDNPLEGHZEGH-UHFFFAOYSA-N	0	1	394.453	0.574	20	30		GCEDMN
CC(C)Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771898171	1202169064	/nfs/dbraw/zinc/16/90/64/1202169064.db2.gz	VRHQQYUUKLBTKB-UHFFFAOYSA-N	0	1	378.454	0.595	20	30		GCEDMN
CC(C)Oc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771898173	1202169115	/nfs/dbraw/zinc/16/91/15/1202169115.db2.gz	VSNMIHDUZZHMFP-UHFFFAOYSA-N	0	1	380.426	0.184	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2	ZINC000771898772	1202169132	/nfs/dbraw/zinc/16/91/32/1202169132.db2.gz	RIZQSKZKTQSFPE-UHFFFAOYSA-N	0	1	394.497	0.955	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)NCCCN2CCCCCC2=O)CC1	ZINC000772109471	1202174727	/nfs/dbraw/zinc/17/47/27/1202174727.db2.gz	FVNNJRJANMBIDO-UHFFFAOYSA-N	0	1	377.485	0.784	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N(CCC(N)=O)Cc2ccccc2)CC1	ZINC000772114564	1202174797	/nfs/dbraw/zinc/17/47/97/1202174797.db2.gz	PXBCSZMJOSKIAD-UHFFFAOYSA-N	0	1	385.464	0.779	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1C1OCCO1)c1cc[nH]n1	ZINC000772177189	1202175331	/nfs/dbraw/zinc/17/53/31/1202175331.db2.gz	RUOMZXVSYWXFAH-CYBMUJFWSA-N	0	1	380.401	0.448	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(C(=O)OC)C1)c1ccn[nH]1	ZINC000772177103	1202175342	/nfs/dbraw/zinc/17/53/42/1202175342.db2.gz	LBUTYOQDUSBZPG-LLVKDONJSA-N	0	1	381.389	0.041	20	30		GCEDMN
C[C@@H]1CN(CCCNC(=O)C(=O)NCCNc2ncccc2C#N)C[C@H](C)O1	ZINC000787788419	1205403367	/nfs/dbraw/zinc/40/33/67/1205403367.db2.gz	XTAIYPKCXBLNLN-GASCZTMLSA-N	0	1	388.472	0.097	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1	ZINC000787849422	1205404486	/nfs/dbraw/zinc/40/44/86/1205404486.db2.gz	ABJRWBABAHFKCB-UXHICEINSA-N	0	1	398.507	0.612	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn32)CC1	ZINC000787921316	1205408501	/nfs/dbraw/zinc/40/85/01/1205408501.db2.gz	CDBUDFHRVORHJJ-LJQANCHMSA-N	0	1	379.464	0.987	20	30		GCEDMN
N#CC(C(=O)CC1CCC2(CC1)OCCO2)C(=O)N1CCS(=O)(=O)CC1	ZINC000788359556	1205420730	/nfs/dbraw/zinc/42/07/30/1205420730.db2.gz	QQXMKGQLVGVNFH-AWEZNQCLSA-N	0	1	384.454	0.276	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCC(C2OCCO2)CC1)c1cc[nH]n1	ZINC000789965931	1205453261	/nfs/dbraw/zinc/45/32/61/1205453261.db2.gz	CVUKGRHLFYEEEE-UHFFFAOYSA-N	0	1	380.401	0.305	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nc(-c2ccncc2)no1)c1ccn[nH]1	ZINC000789978163	1205453677	/nfs/dbraw/zinc/45/36/77/1205453677.db2.gz	IHCYEXARDIZBHC-UHFFFAOYSA-N	0	1	399.367	0.455	20	30		GCEDMN
C#CCn1cc(CNC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)cn1	ZINC000791261171	1205475525	/nfs/dbraw/zinc/47/55/25/1205475525.db2.gz	ZUOIFCVAGPGHMI-UHFFFAOYSA-N	0	1	379.306	0.472	20	30		GCEDMN
CCOC(=O)[C@@H](C#N)Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1	ZINC001170378259	1205491850	/nfs/dbraw/zinc/49/18/50/1205491850.db2.gz	WDQHWZSDBLASQC-GFCCVEGCSA-N	0	1	382.377	0.289	20	30		GCEDMN
C[C@@H](CC(=O)NCCN1CC=CCC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000794114711	1205511535	/nfs/dbraw/zinc/51/15/35/1205511535.db2.gz	IKAOZNCIXMXMHI-AWEZNQCLSA-N	0	1	376.482	0.882	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C[C@@H]1n1ccnn1	ZINC001129849943	1205520859	/nfs/dbraw/zinc/52/08/59/1205520859.db2.gz	DBNONEFSFAAWIK-HZMVEIRTSA-N	0	1	386.500	0.441	20	30		GCEDMN
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COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1cncn1C	ZINC001131033787	1205589371	/nfs/dbraw/zinc/58/93/71/1205589371.db2.gz	WZSKYJVYZNOGIW-MLYOOKFZSA-N	0	1	386.496	0.769	20	30		GCEDMN
CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1N[C@H](C#N)C(N)=O	ZINC001170532993	1205590014	/nfs/dbraw/zinc/59/00/14/1205590014.db2.gz	RWFNGDVLMHHKTF-IUODEOHRSA-N	0	1	388.472	0.670	20	30		GCEDMN
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C#C[C@H](NC(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1)[C@@H]1CCCO1	ZINC000809307326	1205621691	/nfs/dbraw/zinc/62/16/91/1205621691.db2.gz	CJGADOKEAMSTEU-OALUTQOASA-N	0	1	391.512	0.634	20	30		GCEDMN
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CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCNc1ccc(C#N)cn1	ZINC000810087080	1205633625	/nfs/dbraw/zinc/63/36/25/1205633625.db2.gz	MZUQHLDJRZJBLZ-INIZCTEOSA-N	0	1	383.456	0.978	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000747817954	1205668413	/nfs/dbraw/zinc/66/84/13/1205668413.db2.gz	AJMVBYALDCTGFC-UHFFFAOYSA-N	0	1	386.471	0.936	20	30		GCEDMN
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Cn1cc(C=[NH+][N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(=O)[nH]1	ZINC000814220662	1205688440	/nfs/dbraw/zinc/68/84/40/1205688440.db2.gz	DSHUAGZQUPSNFC-UHFFFAOYSA-N	0	1	378.458	0.508	20	30		GCEDMN
CC(C)(C)c1nnc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)[nH]1	ZINC000814437594	1205691390	/nfs/dbraw/zinc/69/13/90/1205691390.db2.gz	QBKXJIFQYJDCDP-UHFFFAOYSA-N	0	1	377.426	0.996	20	30		GCEDMN
CC(C)(C)c1nc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)n[nH]1	ZINC000814437594	1205691392	/nfs/dbraw/zinc/69/13/92/1205691392.db2.gz	QBKXJIFQYJDCDP-UHFFFAOYSA-N	0	1	377.426	0.996	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC[C@@H]3CNc4cccc2c43)c(=O)n(C)c1=O	ZINC000814883625	1205696504	/nfs/dbraw/zinc/69/65/04/1205696504.db2.gz	ULTQZVWHBIRUIH-SNVBAGLBSA-N	0	1	389.437	0.070	20	30		GCEDMN
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CCOC(=O)CO/N=C(\C(=O)N1CCC(n2cnnc2)CC1)c1cc[nH]n1	ZINC001177263003	1205765431	/nfs/dbraw/zinc/76/54/31/1205765431.db2.gz	JTQUBJUAZGKOCI-QNGOZBTKSA-N	0	1	375.389	0.149	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CCN(C)C2=O)c1ccn[nH]1	ZINC001177263338	1205765437	/nfs/dbraw/zinc/76/54/37/1205765437.db2.gz	VTXBWZHTYBUBFE-QJOMJCCJSA-N	0	1	399.407	0.960	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC[C@@H](CC(=O)OC)C1)c1cc[nH]n1	ZINC001177263423	1205765499	/nfs/dbraw/zinc/76/54/99/1205765499.db2.gz	SJCSJIJARXBDJQ-ZNASEZLDSA-N	0	1	380.401	0.495	20	30		GCEDMN
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CCOC(=O)CON=C(C(=O)Nc1ccccc1-n1cncn1)c1ccn[nH]1	ZINC001177263470	1205765587	/nfs/dbraw/zinc/76/55/87/1205765587.db2.gz	XWWNIFDBKIFRRA-KQWNVCNZSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)Nc1ccccc1-c1nn[nH]n1)c1cc[nH]n1	ZINC001177263635	1205765644	/nfs/dbraw/zinc/76/56/44/1205765644.db2.gz	XXJIKPPXTUBBOG-HMAPJEAMSA-N	0	1	384.356	0.512	20	30		GCEDMN
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CCOC(=O)CON=C(C(=O)N[C@@H](CO)Cc1ccc(O)cc1)c1ccn[nH]1	ZINC001177264202	1205765827	/nfs/dbraw/zinc/76/58/27/1205765827.db2.gz	WURATXPWFYWLFA-YSFPUWIGSA-N	0	1	390.396	0.119	20	30		GCEDMN
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CCOC(=O)CON=C(C(=O)N[C@@H](CC(=O)OC)C1CCCC1)c1ccn[nH]1	ZINC001178015604	1205780480	/nfs/dbraw/zinc/78/04/80/1205780480.db2.gz	AOMLFPDROGEPLT-AWEZNQCLSA-N	0	1	394.428	0.932	20	30		GCEDMN
C#CCN1CCC(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC001178207715	1205783899	/nfs/dbraw/zinc/78/38/99/1205783899.db2.gz	KLEUICVILKPAEF-UHFFFAOYSA-N	0	1	394.453	0.429	20	30		GCEDMN
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C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21	ZINC001573286526	946812839	/nfs/dbraw/zinc/81/28/39/946812839.db2.gz	CZXHEHOYPLQNLD-LCSDZXHASA-N	0	1	384.415	0.591	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)nc1	ZINC001573286752	946818287	/nfs/dbraw/zinc/81/82/87/946818287.db2.gz	AXHRSVMFAAICMV-CYBMUJFWSA-N	0	1	375.396	0.172	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1	ZINC001573291876	946924622	/nfs/dbraw/zinc/92/46/22/946924622.db2.gz	LIXZJOYUVOWRHK-UKRRQHHQSA-N	0	1	389.423	0.466	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573561199	946959405	/nfs/dbraw/zinc/95/94/05/946959405.db2.gz	JDSIIKWFUIHYCG-HTQZYQBOSA-N	0	1	384.853	0.392	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573561201	946960126	/nfs/dbraw/zinc/96/01/26/946960126.db2.gz	JDSIIKWFUIHYCG-SFYZADRCSA-N	0	1	384.853	0.392	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1	ZINC001573566578	947026651	/nfs/dbraw/zinc/02/66/51/947026651.db2.gz	DIHZLSCUUMUOEJ-BDJLRTHQSA-N	0	1	375.458	0.531	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573566578	947026662	/nfs/dbraw/zinc/02/66/62/947026662.db2.gz	DIHZLSCUUMUOEJ-BDJLRTHQSA-N	0	1	375.458	0.531	20	30		GCEDMN
C=C1CC(C)(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)C1	ZINC001573296270	947042770	/nfs/dbraw/zinc/04/27/70/947042770.db2.gz	MHRIYVMIJWJXQC-ZDUSSCGKSA-N	0	1	384.444	0.725	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC001573567950	947059781	/nfs/dbraw/zinc/05/97/81/947059781.db2.gz	VFQPFYHXHNCNDV-SGTLLEGYSA-N	0	1	387.419	0.609	20	30		GCEDMN
C=C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1ccccc1	ZINC001573298903	947084800	/nfs/dbraw/zinc/08/48/00/947084800.db2.gz	AJZONHCEOLXDIS-KFWWJZLASA-N	0	1	392.423	0.292	20	30		GCEDMN
C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2	ZINC001573586086	947276173	/nfs/dbraw/zinc/27/61/73/947276173.db2.gz	ZGFXLYBIVVIABY-GFCCVEGCSA-N	0	1	389.423	0.995	20	30		GCEDMN
C=CCCCC(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573334591	947460051	/nfs/dbraw/zinc/46/00/51/947460051.db2.gz	PERBSNXZKSODAY-CQSZACIVSA-N	0	1	386.460	0.803	20	30		GCEDMN
C=CCOCCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573348991	947589011	/nfs/dbraw/zinc/58/90/11/947589011.db2.gz	XSKLWFGWVMVAKK-KGLIPLIRSA-N	0	1	386.460	0.710	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000826383007	948180775	/nfs/dbraw/zinc/18/07/75/948180775.db2.gz	FYBZHWJIAHKDCA-UHFFFAOYSA-N	0	1	397.424	0.613	20	30		GCEDMN
CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC001575853238	949207606	/nfs/dbraw/zinc/20/76/06/949207606.db2.gz	MLWCKSIXZNLTSI-UHFFFAOYSA-N	0	1	377.412	0.990	20	30		GCEDMN
C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001576184012	950109937	/nfs/dbraw/zinc/10/99/37/950109937.db2.gz	VCDHZSXYLHAZDT-FZMZJTMJSA-N	0	1	392.427	0.631	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC[C@](O)(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573853413	950322099	/nfs/dbraw/zinc/32/20/99/950322099.db2.gz	OOYPVDPLIHORGP-INIZCTEOSA-N	0	1	387.404	0.312	20	30		GCEDMN
C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC001575142156	952146353	/nfs/dbraw/zinc/14/63/53/952146353.db2.gz	JIOBIOQBAIQWFD-KRWDZBQOSA-N	0	1	378.400	0.289	20	30		GCEDMN
C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC001575145387	952182938	/nfs/dbraw/zinc/18/29/38/952182938.db2.gz	WXHYPDKLKAFRPU-GOSISDBHSA-N	0	1	377.412	0.894	20	30		GCEDMN
C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC001575145388	952183180	/nfs/dbraw/zinc/18/31/80/952183180.db2.gz	WXHYPDKLKAFRPU-SFHVURJKSA-N	0	1	377.412	0.894	20	30		GCEDMN
Cc1cc(N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1	ZINC001571127714	952559493	/nfs/dbraw/zinc/55/94/93/952559493.db2.gz	MFXQCUBHHHBUAZ-QLJPJBMISA-N	0	1	377.412	0.764	20	30		GCEDMN
CN(c1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001571136095	952611946	/nfs/dbraw/zinc/61/19/46/952611946.db2.gz	MIHAWXZIKGOLME-UHFFFAOYSA-N	0	1	378.400	0.597	20	30		GCEDMN
N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)[nH]1	ZINC001571136044	952612350	/nfs/dbraw/zinc/61/23/50/952612350.db2.gz	LDSCHFDTBOVPAW-WDEREUQCSA-N	0	1	378.400	0.289	20	30		GCEDMN
CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001571136812	952616227	/nfs/dbraw/zinc/61/62/27/952616227.db2.gz	WWSOHHUSLYUMQQ-UHFFFAOYSA-N	0	1	378.400	0.597	20	30		GCEDMN
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001594600899	956127866	/nfs/dbraw/zinc/12/78/66/956127866.db2.gz	COPTUWACTBEDLW-APWZRJJASA-N	0	1	390.415	0.368	20	30		GCEDMN
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC001588411266	958148585	/nfs/dbraw/zinc/14/85/85/958148585.db2.gz	UKMKPWGAJSIRSA-UHFFFAOYSA-N	0	1	386.452	0.945	20	30		GCEDMN
Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)cn1	ZINC001605488207	973617370	/nfs/dbraw/zinc/61/73/70/973617370.db2.gz	FUAKHSKYBXMVIC-VYDXJSESSA-N	0	1	376.457	0.982	20	30		GCEDMN
C=CC[C@@H](C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1	ZINC001588729580	983991596	/nfs/dbraw/zinc/99/15/96/983991596.db2.gz	LBMGMLKWQKKVIG-AWEZNQCLSA-N	0	1	395.437	0.353	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]2C(=O)[O-]	ZINC001589946595	988733676	/nfs/dbraw/zinc/73/36/76/988733676.db2.gz	ARYQGZNDNFJMHO-CYBMUJFWSA-N	0	1	392.456	0.802	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]2C(=O)[O-]	ZINC001589946595	988733681	/nfs/dbraw/zinc/73/36/81/988733681.db2.gz	ARYQGZNDNFJMHO-CYBMUJFWSA-N	0	1	392.456	0.802	20	30		GCEDMN
CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598224286	990906450	/nfs/dbraw/zinc/90/64/50/990906450.db2.gz	CHXYLDOVENIRRV-UHFFFAOYSA-N	0	1	394.497	0.903	20	30		GCEDMN
C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)CC(=O)[O-]	ZINC001598494218	992340828	/nfs/dbraw/zinc/34/08/28/992340828.db2.gz	PIUIGJCLCPCMHA-UHFFFAOYSA-N	0	1	376.232	0.615	20	30		GCEDMN
C[N@H+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C(=O)[O-])C1	ZINC001598607326	993689714	/nfs/dbraw/zinc/68/97/14/993689714.db2.gz	PBZXXMJCWGBRST-HZSPNIEDSA-N	0	1	395.460	0.403	20	30		GCEDMN
C=CCn1c(-c2cccs2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414220571	530141031	/nfs/dbraw/zinc/14/10/31/530141031.db2.gz	KDVFQFTWCBBBQU-SECBINFHSA-N	0	1	383.455	0.810	20	30		GCEDMN
N#Cc1c(Br)cccc1S(=O)(=O)NCC(=O)N1CCNCC1	ZINC000578650634	530159997	/nfs/dbraw/zinc/15/99/97/530159997.db2.gz	AWEOZBBTIIFJJN-UHFFFAOYSA-N	0	1	387.259	0.031	20	30		GCEDMN
CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1N	ZINC000551118132	530251978	/nfs/dbraw/zinc/25/19/78/530251978.db2.gz	FCEYJHPHLJKOQY-UHFFFAOYSA-N	0	1	381.439	0.587	20	30		GCEDMN
CN1CCN(CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000287536029	530244353	/nfs/dbraw/zinc/24/43/53/530244353.db2.gz	WELBGEGZYCUMAB-UHFFFAOYSA-N	0	1	387.303	0.846	20	30		GCEDMN
CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(CC#N)CCOC	ZINC000414449262	530210942	/nfs/dbraw/zinc/21/09/42/530210942.db2.gz	BJJVJPVOFWIMKQ-UHFFFAOYSA-N	0	1	391.471	0.617	20	30		GCEDMN
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC1(CC#N)CC1	ZINC000563002743	530347925	/nfs/dbraw/zinc/34/79/25/530347925.db2.gz	IZPYOPIMADZSEO-UHFFFAOYSA-N	0	1	385.511	0.994	20	30		GCEDMN
CN1CC=C(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1	ZINC000594619245	530431536	/nfs/dbraw/zinc/43/15/36/530431536.db2.gz	OOAZAPPKUYJFLW-UHFFFAOYSA-N	0	1	384.483	0.029	20	30		GCEDMN
CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCN(C)C)cc1	ZINC000594623473	530431744	/nfs/dbraw/zinc/43/17/44/530431744.db2.gz	JCFDBMPNXMJWJF-ZDUSSCGKSA-N	0	1	388.515	0.449	20	30		GCEDMN
CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1	ZINC000594626517	530432373	/nfs/dbraw/zinc/43/23/73/530432373.db2.gz	YMZOLDAIJTXHBJ-UHFFFAOYSA-N	0	1	386.499	0.205	20	30		GCEDMN
C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)[N@H+]1CCC[C@@H](C)C1	ZINC000328658671	530517365	/nfs/dbraw/zinc/51/73/65/530517365.db2.gz	RLZJGBUZSQJVLH-CABCVRRESA-N	0	1	392.591	0.989	20	30		GCEDMN
CCC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1	ZINC000567520985	530543603	/nfs/dbraw/zinc/54/36/03/530543603.db2.gz	MAIWKNQSMPOELQ-ZDUSSCGKSA-N	0	1	388.515	0.497	20	30		GCEDMN
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000645883637	530550889	/nfs/dbraw/zinc/55/08/89/530550889.db2.gz	FNJMXPYRYJDLLX-LBPRGKRZSA-N	0	1	390.483	0.509	20	30		GCEDMN
C#CCOc1ccc(F)cc1NS(=O)(=O)CCCS(=O)(=O)N(C)C	ZINC000290576926	530564318	/nfs/dbraw/zinc/56/43/18/530564318.db2.gz	VFNZRBRFEZCLNT-UHFFFAOYSA-N	0	1	378.447	0.861	20	30		GCEDMN
CN1CC=C(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1	ZINC000574769850	530594370	/nfs/dbraw/zinc/59/43/70/530594370.db2.gz	AMSAAQOGXMMKFY-UHFFFAOYSA-N	0	1	384.483	0.029	20	30		GCEDMN
CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349599702	530713758	/nfs/dbraw/zinc/71/37/58/530713758.db2.gz	BIGFZROBDYNQAJ-UHFFFAOYSA-N	0	1	375.476	0.057	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCc2[nH]ncc21	ZINC000349609771	530719416	/nfs/dbraw/zinc/71/94/16/530719416.db2.gz	ITCPILANODBENE-LBPRGKRZSA-N	0	1	389.503	0.446	20	30		GCEDMN
COCCN(C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br	ZINC000419698567	530862140	/nfs/dbraw/zinc/86/21/40/530862140.db2.gz	PUVUAVIAZWFBPE-UHFFFAOYSA-N	0	1	383.246	0.954	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)NC1CC(C)C1	ZINC000349556279	530905120	/nfs/dbraw/zinc/90/51/20/530905120.db2.gz	VZIUFZRTJZGQRL-UHFFFAOYSA-N	0	1	389.503	0.624	20	30		GCEDMN
N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C3CC3)nn2)C1	ZINC000349505800	530884608	/nfs/dbraw/zinc/88/46/08/530884608.db2.gz	SHQDRUWTZUWKTF-UHFFFAOYSA-N	0	1	385.471	0.271	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C)C1	ZINC000349511297	530886138	/nfs/dbraw/zinc/88/61/38/530886138.db2.gz	RPOOSXXGFUFMJA-GFCCVEGCSA-N	0	1	389.503	0.578	20	30		GCEDMN
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC	ZINC000538121393	531030427	/nfs/dbraw/zinc/03/04/27/531030427.db2.gz	UAUSVYWPFQRFLO-LBPRGKRZSA-N	0	1	392.499	0.920	20	30		GCEDMN
CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CC(O)(CC#N)C1	ZINC000440076258	531168466	/nfs/dbraw/zinc/16/84/66/531168466.db2.gz	ITRJBOBAFWXQMR-UHFFFAOYSA-N	0	1	389.455	0.106	20	30		GCEDMN
CCN(CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C1CC1	ZINC000565222740	531181040	/nfs/dbraw/zinc/18/10/40/531181040.db2.gz	UBXHRJOZICZXDX-UHFFFAOYSA-N	0	1	386.499	0.251	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CCC[N@@H+]2CC(=O)[O-])c1	ZINC000819706231	598067976	/nfs/dbraw/zinc/06/79/76/598067976.db2.gz	RJFZOSYQNFVSLA-CQSZACIVSA-N	0	1	380.422	0.304	20	30		GCEDMN
CSc1[nH]c(=O)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1-c1nn[nH]n1	ZINC000737186074	598759442	/nfs/dbraw/zinc/75/94/42/598759442.db2.gz	FXQWASYMNLXYAI-JTQLQIEISA-N	0	1	386.441	0.502	20	30		GCEDMN
C#CC[NH+]1CCN(Cn2c(=O)c3c(nc(C)c(CCC(=O)[O-])c3C)n2C)CC1	ZINC000736080403	600552677	/nfs/dbraw/zinc/55/26/77/600552677.db2.gz	VPFITMNGMWWHQH-UHFFFAOYSA-N	0	1	385.468	0.577	20	30		GCEDMN
C#CCN1CCN(C(=O)C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)CC1	ZINC000825620211	601160385	/nfs/dbraw/zinc/16/03/85/601160385.db2.gz	XYPJKQBFHHXDOS-KRWDZBQOSA-N	0	1	384.480	0.673	20	30		GCEDMN
C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)CC1	ZINC000825620211	601160387	/nfs/dbraw/zinc/16/03/87/601160387.db2.gz	XYPJKQBFHHXDOS-KRWDZBQOSA-N	0	1	384.480	0.673	20	30		GCEDMN
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000830777201	601802264	/nfs/dbraw/zinc/80/22/64/601802264.db2.gz	VEPGAKNDFTZQLI-QGZVFWFLSA-N	0	1	396.451	0.766	20	30		GCEDMN
C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000827349917	602254194	/nfs/dbraw/zinc/25/41/94/602254194.db2.gz	UGDPGIXBAFPOIR-LBPRGKRZSA-N	0	1	392.387	0.674	20	30		GCEDMN
C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1	ZINC000827349909	602254220	/nfs/dbraw/zinc/25/42/20/602254220.db2.gz	UGDPGIXBAFPOIR-GFCCVEGCSA-N	0	1	392.387	0.674	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000826157950	607608808	/nfs/dbraw/zinc/60/88/08/607608808.db2.gz	SLOXAMISXLVHJK-UHFFFAOYSA-N	0	1	381.374	0.326	20	30		GCEDMN
C#CCC[NH+]1CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000833362369	605192391	/nfs/dbraw/zinc/19/23/91/605192391.db2.gz	OGFMWRKSQNGXJY-LJQANCHMSA-N	0	1	382.464	0.921	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000833364714	605219351	/nfs/dbraw/zinc/21/93/51/605219351.db2.gz	SKELCYACSDYCCT-JOCHJYFZSA-N	0	1	398.507	0.473	20	30		GCEDMN
C#CCN1CCN(C(=O)C[NH2+][C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1	ZINC000833364714	605219359	/nfs/dbraw/zinc/21/93/59/605219359.db2.gz	SKELCYACSDYCCT-JOCHJYFZSA-N	0	1	398.507	0.473	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000833364717	605219526	/nfs/dbraw/zinc/21/95/26/605219526.db2.gz	SKELCYACSDYCCT-QFIPXVFZSA-N	0	1	398.507	0.473	20	30		GCEDMN
C#CCN1CCN(C(=O)C[NH2+][C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1	ZINC000833364717	605219530	/nfs/dbraw/zinc/21/95/30/605219530.db2.gz	SKELCYACSDYCCT-QFIPXVFZSA-N	0	1	398.507	0.473	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)cc1	ZINC000833376405	605255117	/nfs/dbraw/zinc/25/51/17/605255117.db2.gz	DKQVRLQOYJXICB-CQSZACIVSA-N	0	1	395.481	0.772	20	30		GCEDMN
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819875661	606699672	/nfs/dbraw/zinc/69/96/72/606699672.db2.gz	BEMNZXCXISBXEL-NSHDSACASA-N	0	1	394.443	0.935	20	30		GCEDMN
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819875661	606699674	/nfs/dbraw/zinc/69/96/74/606699674.db2.gz	BEMNZXCXISBXEL-NSHDSACASA-N	0	1	394.443	0.935	20	30		GCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857877	606699714	/nfs/dbraw/zinc/69/97/14/606699714.db2.gz	WIJYKYOKAKCKGO-GTNSWQLSSA-N	0	1	388.480	0.479	20	30		GCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819857877	606699715	/nfs/dbraw/zinc/69/97/15/606699715.db2.gz	WIJYKYOKAKCKGO-GTNSWQLSSA-N	0	1	388.480	0.479	20	30		GCEDMN
N#C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Br)cc1	ZINC000822802329	607206579	/nfs/dbraw/zinc/20/65/79/607206579.db2.gz	ZGONMYNRGUDUBT-SNVBAGLBSA-N	0	1	388.189	0.602	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)CNc2ccc(C#N)cc2)c1-c1nnn[n-]1	ZINC000826077671	608019696	/nfs/dbraw/zinc/01/96/96/608019696.db2.gz	QBSCNQKAPUCVFE-UHFFFAOYSA-N	0	1	380.416	0.664	20	30		GCEDMN
C[NH2+]CCCc1[nH]nc(NC(=O)CNc2ccc(C#N)cc2)c1-c1nn[n-]n1	ZINC000826077671	608019697	/nfs/dbraw/zinc/01/96/97/608019697.db2.gz	QBSCNQKAPUCVFE-UHFFFAOYSA-N	0	1	380.416	0.664	20	30		GCEDMN
C#CCOCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000823856475	608130693	/nfs/dbraw/zinc/13/06/93/608130693.db2.gz	SDTNARIQBIOISV-UHFFFAOYSA-N	0	1	386.416	0.214	20	30		GCEDMN
C=CCOc1cccnc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1	ZINC000823932399	608568433	/nfs/dbraw/zinc/56/84/33/608568433.db2.gz	WVUMOHYMMZRBIL-UHFFFAOYSA-N	0	1	383.416	0.954	20	30		GCEDMN
C=CCOc1cccnc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1	ZINC000823932399	608568435	/nfs/dbraw/zinc/56/84/35/608568435.db2.gz	WVUMOHYMMZRBIL-UHFFFAOYSA-N	0	1	383.416	0.954	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)o1	ZINC000826323188	609143918	/nfs/dbraw/zinc/14/39/18/609143918.db2.gz	UJMUSBAXYIPZIG-UHFFFAOYSA-N	0	1	399.459	0.437	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1nc(-c2ccco2)cs1	ZINC000826382887	609177134	/nfs/dbraw/zinc/17/71/34/609177134.db2.gz	ZHICFRNQTQDKJT-UHFFFAOYSA-N	0	1	382.369	0.872	20	30		GCEDMN
Cc1c(Br)c(C)n(NC(=O)C2CN([C@@H]3CCOC3)C2)c(=O)c1C#N	ZINC000897598364	639196618	/nfs/dbraw/zinc/19/66/18/639196618.db2.gz	RZJQBAPGOWKCGV-GFCCVEGCSA-N	0	1	395.257	0.890	20	30		GCEDMN
CN(C)CC#CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000913516620	639581505	/nfs/dbraw/zinc/58/15/05/639581505.db2.gz	YICWZIHUFLTDTF-UHFFFAOYSA-N	0	1	378.226	0.726	20	30		GCEDMN
CN(C)CC#CCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1	ZINC000913522220	639581737	/nfs/dbraw/zinc/58/17/37/639581737.db2.gz	ABMPIMKOUKQPSO-UHFFFAOYSA-N	0	1	385.511	0.188	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(SCCO)n[nH]2)c1	ZINC000762589305	640611030	/nfs/dbraw/zinc/61/10/30/640611030.db2.gz	CMRAOCIIZYCZBF-UHFFFAOYSA-N	0	1	381.439	0.053	20	30		GCEDMN
CCSc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000769799953	640785413	/nfs/dbraw/zinc/78/54/13/640785413.db2.gz	QLWBALYGLVRSGT-UHFFFAOYSA-N	0	1	382.467	0.508	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1	ZINC000771892281	640835501	/nfs/dbraw/zinc/83/55/01/640835501.db2.gz	PBQPQOYIOFTLSR-UHFFFAOYSA-N	0	1	384.845	0.830	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cnc(C3CCC3)s2)c(=O)n(C)c1=O	ZINC000771898476	640835937	/nfs/dbraw/zinc/83/59/37/640835937.db2.gz	YMBOJLDCIRMPHG-UHFFFAOYSA-N	0	1	383.455	0.120	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@H](CO)c2ccc(Br)cc2)CC1	ZINC000782076388	641243090	/nfs/dbraw/zinc/24/30/90/641243090.db2.gz	ZPYGZOOJTKHEKB-MRXNPFEDSA-N	0	1	380.286	0.850	20	30		GCEDMN
CCc1cccc(Cl)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000788720690	641376554	/nfs/dbraw/zinc/37/65/54/641376554.db2.gz	RJODSIWAQFCOMQ-UHFFFAOYSA-N	0	1	384.845	0.612	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)CCN2CC(CNC(=O)C(F)(F)F)C2)cc1	ZINC000871992408	641464181	/nfs/dbraw/zinc/46/41/81/641464181.db2.gz	YZPSAEQEZRGYLW-UHFFFAOYSA-N	0	1	375.372	0.942	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2CCN(C)CC2)s1	ZINC000873875628	641510585	/nfs/dbraw/zinc/51/05/85/641510585.db2.gz	FSDQXHXWXSWMDN-UHFFFAOYSA-N	0	1	386.543	0.119	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(N)c1	ZINC000814883695	641814376	/nfs/dbraw/zinc/81/43/76/641814376.db2.gz	XBGPOHDACPRUTR-UHFFFAOYSA-N	0	1	385.833	0.022	20	30		GCEDMN
C#CCCN1CCC(NS(=O)(=O)c2cnn(C)c2Br)CC1	ZINC000903150977	642173748	/nfs/dbraw/zinc/17/37/48/642173748.db2.gz	ZEAKINRAZMVBGG-UHFFFAOYSA-N	0	1	375.292	0.949	20	30		GCEDMN
C#CCN(C(C)C)S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)C(F)F	ZINC000903640607	642197505	/nfs/dbraw/zinc/19/75/05/642197505.db2.gz	PLJKLYVOZHRPJN-UHFFFAOYSA-N	0	1	396.428	0.870	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cccn2c(I)cnc12	ZINC000834480187	642212879	/nfs/dbraw/zinc/21/28/79/642212879.db2.gz	MHVGCVJYUAPNNX-PSASIEDQSA-N	0	1	381.177	0.780	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000834511097	642214018	/nfs/dbraw/zinc/21/40/18/642214018.db2.gz	IJKZUURZGQURNK-UFBFGSQYSA-N	0	1	377.198	0.273	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000834521949	642214565	/nfs/dbraw/zinc/21/45/65/642214565.db2.gz	ZWDHMQXFYIIKGS-RNCFNFMXSA-N	0	1	376.214	0.387	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000834517272	642214586	/nfs/dbraw/zinc/21/45/86/642214586.db2.gz	SZXJWZCFNLSKCX-XHDPSFHLSA-N	0	1	382.873	0.966	20	30		GCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000834517271	642214651	/nfs/dbraw/zinc/21/46/51/642214651.db2.gz	SZXJWZCFNLSKCX-NHYWBVRUSA-N	0	1	382.873	0.966	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[C@H]1c1cccs1	ZINC000841630975	642317353	/nfs/dbraw/zinc/31/73/53/642317353.db2.gz	BMLOCKMBMKMFPH-WDEREUQCSA-N	0	1	382.467	0.603	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000843459439	642370191	/nfs/dbraw/zinc/37/01/91/642370191.db2.gz	FCAPNTAHTABXCN-TZMCWYRMSA-N	0	1	382.511	0.693	20	30		GCEDMN
N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cncc(Cl)n2)C1	ZINC000848959454	642577012	/nfs/dbraw/zinc/57/70/12/642577012.db2.gz	HWQUVLKOXBLXDU-UHFFFAOYSA-N	0	1	379.851	0.047	20	30		GCEDMN
N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cnc(Cl)cn2)C1	ZINC000848959465	642577059	/nfs/dbraw/zinc/57/70/59/642577059.db2.gz	IMWPJTVADBGOBT-UHFFFAOYSA-N	0	1	379.851	0.047	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1	ZINC000848960440	642581463	/nfs/dbraw/zinc/58/14/63/642581463.db2.gz	AZOLHLPAEWYFRV-CYBMUJFWSA-N	0	1	384.483	0.749	20	30		GCEDMN
CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1cncc(Cl)n1	ZINC000848964182	642598091	/nfs/dbraw/zinc/59/80/91/642598091.db2.gz	KOOVMZIJKJHJTE-UHFFFAOYSA-N	0	1	395.894	0.731	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncccc1NC(C)=O	ZINC000848965631	642603791	/nfs/dbraw/zinc/60/37/91/642603791.db2.gz	UKUMVRCQUFISFP-NSHDSACASA-N	0	1	388.471	0.113	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1n[nH]c(C)c1C	ZINC000848969407	642619158	/nfs/dbraw/zinc/61/91/58/642619158.db2.gz	LMMGFWVWBWOIPZ-LLVKDONJSA-N	0	1	376.504	0.832	20	30		GCEDMN
C=CCn1c(Cc2noc([C@H]3CCCc4nn[nH]c43)n2)nnc1N1CCOCC1	ZINC000663157924	1192231738	/nfs/dbraw/zinc/23/17/38/1192231738.db2.gz	NKQZRNCOKMEQBX-LBPRGKRZSA-N	0	1	397.443	0.861	20	30		GCEDMN
C#CCn1ccc(CN(CC)C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)n1	ZINC000279097848	1192465393	/nfs/dbraw/zinc/46/53/93/1192465393.db2.gz	JAXWIBFMQKEXPM-OQKWZONESA-N	0	1	386.412	0.572	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CC(=O)N2C)c1ccn[nH]1	ZINC000279113494	1192468143	/nfs/dbraw/zinc/46/81/43/1192468143.db2.gz	LATRAVASQBISLI-OQKWZONESA-N	0	1	385.380	0.851	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)c1cc[nH]n1	ZINC000279624145	1192565550	/nfs/dbraw/zinc/56/55/50/1192565550.db2.gz	HZAZSTWYTXQUGJ-IBYVDYOPSA-N	0	1	394.428	0.488	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1	ZINC000418854775	1192668938	/nfs/dbraw/zinc/66/89/38/1192668938.db2.gz	LJTKTANACCQSRP-OAHLLOKOSA-N	0	1	387.459	0.993	20	30		GCEDMN
C=CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)CN(C)C)CC2)c(OC)c1	ZINC000051762467	1192909545	/nfs/dbraw/zinc/90/95/45/1192909545.db2.gz	USIAKBDLPRVBFD-SFHVURJKSA-N	0	1	391.512	0.869	20	30		GCEDMN
CN(C)C(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1	ZINC000471125479	1184214178	/nfs/dbraw/zinc/21/41/78/1184214178.db2.gz	QRBMLOGTEVFRIS-UHFFFAOYSA-N	0	1	378.370	0.552	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000969496092	1184327470	/nfs/dbraw/zinc/32/74/70/1184327470.db2.gz	ZCTIVZHHRPQOHB-FYBDHJHVSA-N	0	1	397.519	0.957	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1C2CCC1(C(=O)OC)CC2)c1cc[nH]n1	ZINC001648794063	1184602594	/nfs/dbraw/zinc/60/25/94/1184602594.db2.gz	WFJMOZKQDRKJRO-UHFFFAOYSA-N	0	1	378.385	0.390	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000430371969	1184622311	/nfs/dbraw/zinc/62/23/11/1184622311.db2.gz	RAOAQNJZKCORCT-KSZLIROESA-N	0	1	379.501	0.655	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000430371968	1184622517	/nfs/dbraw/zinc/62/25/17/1184622517.db2.gz	RAOAQNJZKCORCT-BZSNNMDCSA-N	0	1	379.501	0.655	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1	ZINC000275395046	1184650644	/nfs/dbraw/zinc/65/06/44/1184650644.db2.gz	DDXHIIUWBFORMG-OAHLLOKOSA-N	0	1	393.509	0.515	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(C(C)C)n3)C[C@@H]21	ZINC001083198632	1184676457	/nfs/dbraw/zinc/67/64/57/1184676457.db2.gz	IHXWOQDPRKWANE-FXUDXRNXSA-N	0	1	375.473	0.931	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1	ZINC000430411425	1184684626	/nfs/dbraw/zinc/68/46/26/1184684626.db2.gz	FKYRUVZDLKWCAL-KSZLIROESA-N	0	1	378.517	0.322	20	30		GCEDMN
COc1cc(C(=O)NC2CCN(CC#N)CC2)cc(NS(C)(=O)=O)c1OC	ZINC000610292625	1184848428	/nfs/dbraw/zinc/84/84/28/1184848428.db2.gz	RKUCBYSKVYLQQN-UHFFFAOYSA-N	0	1	396.469	0.793	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@@H]1O	ZINC000970701905	1184974253	/nfs/dbraw/zinc/97/42/53/1184974253.db2.gz	JHKYJWVZPGFQFJ-YJQGPUDQSA-N	0	1	388.346	0.321	20	30		GCEDMN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nnc2ccccc2c1O	ZINC000160852026	1185595793	/nfs/dbraw/zinc/59/57/93/1185595793.db2.gz	SLAVVJBXOAKQJW-GFCCVEGCSA-N	0	1	375.392	0.936	20	30		GCEDMN
C=CCCN(C)CC(=O)N(CCOC)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000276392940	1185790049	/nfs/dbraw/zinc/79/00/49/1185790049.db2.gz	JKWSYALRLOJWQX-UHFFFAOYSA-N	0	1	381.477	0.819	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](C(C)C)N1CCOCC1)c1ccn[nH]1	ZINC000276488217	1185838164	/nfs/dbraw/zinc/83/81/64/1185838164.db2.gz	GCNMQYKZHSRXPL-GBPUDXIESA-N	0	1	395.460	0.167	20	30		GCEDMN
C=CCCN(C)CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000276532107	1185869512	/nfs/dbraw/zinc/86/95/12/1185869512.db2.gz	ZWWFORTVKPFMSO-UHFFFAOYSA-N	0	1	381.477	0.674	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc(NC(C)=O)c1)c1ccn[nH]1	ZINC000276546200	1185884046	/nfs/dbraw/zinc/88/40/46/1185884046.db2.gz	GWIRFOUYYOPISE-HAVVHWLPSA-N	0	1	387.396	0.968	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)c1cccc(F)c1)c1ccn[nH]1	ZINC000276625969	1185930927	/nfs/dbraw/zinc/93/09/27/1185930927.db2.gz	RUVKJSVUNCRDBE-USIKMKBCSA-N	0	1	378.360	0.682	20	30		GCEDMN
CCCNC(=O)[C@H]1CCCN(C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)C1	ZINC000276634102	1185931422	/nfs/dbraw/zinc/93/14/22/1185931422.db2.gz	TZEBWMKMEYGQGJ-UAHGDZPKSA-N	0	1	393.444	0.458	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21	ZINC000728369234	1185938301	/nfs/dbraw/zinc/93/83/01/1185938301.db2.gz	PQWDTNXERZYOKX-WDEREUQCSA-N	0	1	387.396	0.625	20	30		GCEDMN
N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3CCCOCC3)C2=O)cc1	ZINC000276855670	1186124128	/nfs/dbraw/zinc/12/41/28/1186124128.db2.gz	JRLUFAGFNJIBEY-GOSISDBHSA-N	0	1	385.468	0.681	20	30		GCEDMN
Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)cc1C#N	ZINC000431144142	1186141762	/nfs/dbraw/zinc/14/17/62/1186141762.db2.gz	QZGDAIXYKMUIGQ-UHFFFAOYSA-N	0	1	387.421	0.668	20	30		GCEDMN
COCCN1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000610806158	1186227113	/nfs/dbraw/zinc/22/71/13/1186227113.db2.gz	VCEJWNCEMLRVCC-GDBMZVCRSA-N	0	1	394.497	0.452	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000277134182	1186247474	/nfs/dbraw/zinc/24/74/74/1186247474.db2.gz	GEVNICRLSDPILD-QZTJIDSGSA-N	0	1	384.484	0.204	20	30		GCEDMN
C=C(C)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000181272994	1186260581	/nfs/dbraw/zinc/26/05/81/1186260581.db2.gz	YDZFGLRMXZURDY-UHFFFAOYSA-N	0	1	376.482	0.899	20	30		GCEDMN
Cc1nn(C)c(N2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000472154601	1186401876	/nfs/dbraw/zinc/40/18/76/1186401876.db2.gz	KGSBRXNEGZMCMI-UXLLHSPISA-N	0	1	376.505	0.192	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCO[C@H]4C=C)[C@@H]3C2)CC1	ZINC001022751076	1186547732	/nfs/dbraw/zinc/54/77/32/1186547732.db2.gz	ZUSYUUNUJSHXKK-NMLBUPMWSA-N	0	1	385.508	0.982	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCN(CC(F)(F)F)CC1)c1cc[nH]n1	ZINC000277784987	1186607129	/nfs/dbraw/zinc/60/71/29/1186607129.db2.gz	FJTXFWSOGPYTLA-FYJGNVAPSA-N	0	1	391.350	0.400	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1ccn[nH]1	ZINC000277974176	1186729965	/nfs/dbraw/zinc/72/99/65/1186729965.db2.gz	LRYSIXOXQPAPMM-OZIGIFKUSA-N	0	1	398.485	0.890	20	30		GCEDMN
CC(=O)N1CCN(C(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000247968986	1186772206	/nfs/dbraw/zinc/77/22/06/1186772206.db2.gz	YBERYEIKKYUEFU-UHFFFAOYSA-N	0	1	383.496	0.757	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCNC(=O)[C@@H]1CC(C)C)c1cc[nH]n1	ZINC000278279450	1186868955	/nfs/dbraw/zinc/86/89/55/1186868955.db2.gz	GERVIAIHSXNQEW-SYPKWCCASA-N	0	1	379.417	0.067	20	30		GCEDMN
CCN1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1	ZINC000163172759	1186882905	/nfs/dbraw/zinc/88/29/05/1186882905.db2.gz	IWVPLZUSBBWPFN-UHFFFAOYSA-N	0	1	381.440	0.691	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](C(=O)OC)[C@@H](C)C1)c1cc[nH]n1	ZINC000278328723	1186892516	/nfs/dbraw/zinc/89/25/16/1186892516.db2.gz	LTKKPMAKBGNQQQ-VJRAVMGKSA-N	0	1	380.401	0.351	20	30		GCEDMN
CCC1(CO)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000128139175	1186902358	/nfs/dbraw/zinc/90/23/58/1186902358.db2.gz	UQQCZPOVEBGSHU-UHFFFAOYSA-N	0	1	375.473	0.988	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCCN(C(=O)C2CC2)CC1)c1cc[nH]n1	ZINC000278366012	1186913982	/nfs/dbraw/zinc/91/39/82/1186913982.db2.gz	QRZVULHHLJVZDK-LTGZKZEYSA-N	0	1	391.428	0.164	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CC)[C@H](O)C(F)(F)F)c1ccn[nH]1	ZINC000278654667	1187008079	/nfs/dbraw/zinc/00/80/79/1187008079.db2.gz	NSXVUZHZHFKZAW-AXXSILJPSA-N	0	1	380.323	0.512	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](CC)[C@@H](O)C(F)(F)F)c1ccn[nH]1	ZINC000278654697	1187008996	/nfs/dbraw/zinc/00/89/96/1187008996.db2.gz	NSXVUZHZHFKZAW-ZYSLJCGZSA-N	0	1	380.323	0.512	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](C)C[C@@H]1C(=O)OC)c1cc[nH]n1	ZINC000278744499	1187043744	/nfs/dbraw/zinc/04/37/44/1187043744.db2.gz	STNVSHJAARDJFN-WEEVYRDBSA-N	0	1	380.401	0.494	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1	ZINC001023675795	1187064820	/nfs/dbraw/zinc/06/48/20/1187064820.db2.gz	LRFPWDPXSTYGJD-DXEWXGHRSA-N	0	1	385.424	0.241	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1O	ZINC001023913297	1187168030	/nfs/dbraw/zinc/16/80/30/1187168030.db2.gz	GTLKLNABYUQTMX-LHHMISFZSA-N	0	1	376.457	0.402	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1O	ZINC001023942222	1187182323	/nfs/dbraw/zinc/18/23/23/1187182323.db2.gz	QPIZYLUZYRILAI-SVGFKBNWSA-N	0	1	376.457	0.645	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1O	ZINC001023958414	1187192645	/nfs/dbraw/zinc/19/26/45/1187192645.db2.gz	MULQXXRKHRIXCU-UWIFEVILSA-N	0	1	388.468	0.430	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1O	ZINC001023960710	1187194194	/nfs/dbraw/zinc/19/41/94/1187194194.db2.gz	UQJHXBHGKUDYLC-MPESAESLSA-N	0	1	385.424	0.241	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1O	ZINC001023960832	1187194829	/nfs/dbraw/zinc/19/48/29/1187194829.db2.gz	WEEIDYSIPDUMAP-DZUCGIPZSA-N	0	1	384.436	0.846	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)[C@@H]3C2)CC1	ZINC000972840756	1187273806	/nfs/dbraw/zinc/27/38/06/1187273806.db2.gz	MERREBKXUKWBKU-AITUJVMLSA-N	0	1	389.496	0.195	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1	ZINC001024543207	1187449574	/nfs/dbraw/zinc/44/95/74/1187449574.db2.gz	JLONCDNSGUESID-ZDRJDWQYSA-N	0	1	388.468	0.571	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1	ZINC001024546541	1187453901	/nfs/dbraw/zinc/45/39/01/1187453901.db2.gz	MHXOQBPQJFERKE-DZUCGIPZSA-N	0	1	388.468	0.571	20	30		GCEDMN
C=CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000685799774	1187571659	/nfs/dbraw/zinc/57/16/59/1187571659.db2.gz	DPSDAJXEPAHIHG-HZPDHXFCSA-N	0	1	396.513	0.685	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1	ZINC001211637221	1187640834	/nfs/dbraw/zinc/64/08/34/1187640834.db2.gz	KYFVGKHXXQFRRP-OSFNYYGPSA-N	0	1	393.487	0.743	20	30		GCEDMN
C=CCn1c(-c2ccco2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC1CC1	ZINC000414217848	1187768458	/nfs/dbraw/zinc/76/84/58/1187768458.db2.gz	DTUUQJQVTRPICY-JTQLQIEISA-N	0	1	393.425	0.875	20	30		GCEDMN
C=CCn1c(-c2ccco2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NCC	ZINC000414222717	1187772960	/nfs/dbraw/zinc/77/29/60/1187772960.db2.gz	OQULDYSKZZKVFP-SNVBAGLBSA-N	0	1	381.414	0.732	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1	ZINC001025068071	1187825034	/nfs/dbraw/zinc/82/50/34/1187825034.db2.gz	SBRSEYJYVLRGRN-CENDIDJXSA-N	0	1	387.524	0.846	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3nc[nH]c32)C1	ZINC001025272609	1187926985	/nfs/dbraw/zinc/92/69/85/1187926985.db2.gz	RXWPCDDPYPCJFE-ZDRJDWQYSA-N	0	1	384.436	0.846	20	30		GCEDMN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cc1F	ZINC000415323520	1188038252	/nfs/dbraw/zinc/03/82/52/1188038252.db2.gz	DDWFNGJVTYLDHO-AWEZNQCLSA-N	0	1	387.415	0.306	20	30		GCEDMN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000415334620	1188039010	/nfs/dbraw/zinc/03/90/10/1188039010.db2.gz	RNLPAGGITCJZQL-INIZCTEOSA-N	0	1	383.452	0.476	20	30		GCEDMN
C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1	ZINC000549297190	1188097647	/nfs/dbraw/zinc/09/76/47/1188097647.db2.gz	PQUQZFMZKBKQFH-AWEZNQCLSA-N	0	1	382.534	0.996	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)CN1	ZINC000415577715	1188110297	/nfs/dbraw/zinc/11/02/97/1188110297.db2.gz	ZCIBSPTXSHSPCS-NEPJUHHUSA-N	0	1	386.843	1.545	20	30		GCEDMN
O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCC2(CC1)CC(=O)C=CO2	ZINC000893054784	1188125464	/nfs/dbraw/zinc/12/54/64/1188125464.db2.gz	ZYGSBJOJOIVMBY-KRWDZBQOSA-N	0	1	392.500	0.440	20	30		GCEDMN
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CN1C1CC1	ZINC000377893747	1188164632	/nfs/dbraw/zinc/16/46/32/1188164632.db2.gz	IXZULEVNLPEJDO-QWHCGFSZSA-N	0	1	379.424	0.819	20	30		GCEDMN
C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1	ZINC000163833169	1189408664	/nfs/dbraw/zinc/40/86/64/1189408664.db2.gz	NSNSVDXVCLHNOI-UHFFFAOYSA-N	0	1	395.463	0.983	20	30		GCEDMN
COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000066833005	1189569883	/nfs/dbraw/zinc/56/98/83/1189569883.db2.gz	ULLAPJGQPCXSBA-AWEZNQCLSA-N	0	1	375.429	0.388	20	30		GCEDMN
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000290747163	1189638880	/nfs/dbraw/zinc/63/88/80/1189638880.db2.gz	NJPZDWQOZJVTAC-AWEZNQCLSA-N	0	1	394.497	0.140	20	30		GCEDMN
N#C[C@H](C(=O)CCc1nc[nH]n1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000759832810	1189772328	/nfs/dbraw/zinc/77/23/28/1189772328.db2.gz	IIWJSSSIDKUNIA-OAHLLOKOSA-N	0	1	397.395	0.703	20	30		GCEDMN
CN1CCN(C)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1	ZINC000894187269	1193897125	/nfs/dbraw/zinc/89/71/25/1193897125.db2.gz	XAEQVZGUXIGXQS-CVEARBPZSA-N	0	1	394.520	0.634	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccn[nH]1	ZINC000280596297	1194007658	/nfs/dbraw/zinc/00/76/58/1194007658.db2.gz	BXRPQAJTYKQVDA-ZAYWPSNGSA-N	0	1	380.401	0.542	20	30		GCEDMN
C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000419613606	1194073661	/nfs/dbraw/zinc/07/36/61/1194073661.db2.gz	LAZSZSGZSHLPMX-HOBHPSKFSA-N	0	1	385.468	0.968	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1OCC	ZINC000982931223	1194199485	/nfs/dbraw/zinc/19/94/85/1194199485.db2.gz	VAMJFHZZRKXDHU-ZJPYXAASSA-N	0	1	379.501	0.653	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](OCC)C1	ZINC000982960724	1194227191	/nfs/dbraw/zinc/22/71/91/1194227191.db2.gz	GTXIARBLKAQAEU-APIJFGDWSA-N	0	1	377.445	0.379	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](OCC)C1	ZINC000982960724	1194227196	/nfs/dbraw/zinc/22/71/96/1194227196.db2.gz	GTXIARBLKAQAEU-APIJFGDWSA-N	0	1	377.445	0.379	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000785394545	1194726374	/nfs/dbraw/zinc/72/63/74/1194726374.db2.gz	BUFARSRNUMLUIO-MRXNPFEDSA-N	0	1	376.432	0.787	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@@H](C)CN1	ZINC000423655434	1194779872	/nfs/dbraw/zinc/77/98/72/1194779872.db2.gz	SHWQCUWDMKHPOS-HFUQMLBGSA-N	0	1	381.436	0.067	20	30		GCEDMN
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000423727516	1194789877	/nfs/dbraw/zinc/78/98/77/1194789877.db2.gz	VEHKTAJTQWTISB-AWEZNQCLSA-N	0	1	390.513	0.572	20	30		GCEDMN
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000423746845	1194791513	/nfs/dbraw/zinc/79/15/13/1194791513.db2.gz	PQWRDWQATJGJFS-RTBURBONSA-N	0	1	383.496	0.823	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)nn1CCC#N	ZINC000504543310	1194797740	/nfs/dbraw/zinc/79/77/40/1194797740.db2.gz	ZRJAWLCGXGUHHF-UHFFFAOYSA-N	0	1	388.472	0.615	20	30		GCEDMN
CN(C)[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000549967140	1194805716	/nfs/dbraw/zinc/80/57/16/1194805716.db2.gz	DFZDVKMAJCPDBD-KRWDZBQOSA-N	0	1	397.483	0.674	20	30		GCEDMN
COC[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCO1	ZINC000434789783	1194869908	/nfs/dbraw/zinc/86/99/08/1194869908.db2.gz	ZWMIRMDAFJOZKY-CVEARBPZSA-N	0	1	377.445	0.287	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2[nH]ncc2F)[C@H](OCC)C1	ZINC000983336290	1194930395	/nfs/dbraw/zinc/93/03/95/1194930395.db2.gz	WFZGGWQREUZDOK-RJZRQDKASA-N	0	1	380.420	0.733	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)cn1	ZINC000435475751	1194934965	/nfs/dbraw/zinc/93/49/65/1194934965.db2.gz	XEGBUFQSRUJWOQ-UHFFFAOYSA-N	0	1	388.409	0.751	20	30		GCEDMN
C=CCc1ccc(OCC(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)c(OC)c1	ZINC000435704864	1194957783	/nfs/dbraw/zinc/95/77/83/1194957783.db2.gz	GQXUAUBJYIRKPD-HUUCEWRRSA-N	0	1	378.425	0.391	20	30		GCEDMN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1	ZINC000516346946	1195044645	/nfs/dbraw/zinc/04/46/45/1195044645.db2.gz	MCVBEIWYCRWLDT-MRXNPFEDSA-N	0	1	388.472	0.295	20	30		GCEDMN
C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000516491579	1195057079	/nfs/dbraw/zinc/05/70/79/1195057079.db2.gz	BVCMVFYDDZFLEB-LRDDRELGSA-N	0	1	398.510	0.249	20	30		GCEDMN
CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(C#N)cn1CC	ZINC000425824290	1195123760	/nfs/dbraw/zinc/12/37/60/1195123760.db2.gz	YFXYMFOEJHCOSR-LLVKDONJSA-N	0	1	399.411	0.629	20	30		GCEDMN
CC(=O)[C@@H](C)N1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270294110	1195181171	/nfs/dbraw/zinc/18/11/71/1195181171.db2.gz	WOVSXYMVDYVKIK-TZMCWYRMSA-N	0	1	375.450	0.848	20	30		GCEDMN
C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)C1=O	ZINC000506355224	1195247066	/nfs/dbraw/zinc/24/70/66/1195247066.db2.gz	LOSYRLCPACQQOT-CYBMUJFWSA-N	0	1	382.380	0.182	20	30		GCEDMN
Cc1n[nH]c(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n1	ZINC000440123746	1195387181	/nfs/dbraw/zinc/38/71/81/1195387181.db2.gz	SJJFJPHSNZTRCV-UHFFFAOYSA-N	0	1	398.814	1.121	20	30		GCEDMN
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cc1F	ZINC000427200651	1195514722	/nfs/dbraw/zinc/51/47/22/1195514722.db2.gz	QXXBGPLJUCWXQO-UHFFFAOYSA-N	0	1	376.369	0.713	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2nnc[nH]2)cc1	ZINC000441342061	1195627000	/nfs/dbraw/zinc/62/70/00/1195627000.db2.gz	XITOSUUNYFUXBU-LLVKDONJSA-N	0	1	392.441	0.427	20	30		GCEDMN
CCS(=O)(=O)N1CC(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1	ZINC000328634663	1195656782	/nfs/dbraw/zinc/65/67/82/1195656782.db2.gz	BOZOZHNOYICYHX-HNNXBMFYSA-N	0	1	388.534	0.226	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1	ZINC000328647784	1195657209	/nfs/dbraw/zinc/65/72/09/1195657209.db2.gz	ADRXWLJBGJENFN-OAHLLOKOSA-N	0	1	387.550	0.036	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1	ZINC000328647779	1195657231	/nfs/dbraw/zinc/65/72/31/1195657231.db2.gz	ADRXWLJBGJENFN-HNNXBMFYSA-N	0	1	387.550	0.036	20	30		GCEDMN
CN1CCN(c2ccc(CNC(=O)N3CC[C@@H](S(C)(=O)=O)C3)cn2)CC1	ZINC000328720782	1195659804	/nfs/dbraw/zinc/65/98/04/1195659804.db2.gz	QUVRBMZGHDKAIF-OAHLLOKOSA-N	0	1	381.502	0.366	20	30		GCEDMN
CC[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(=O)N1CCOCC1	ZINC000328835802	1195669737	/nfs/dbraw/zinc/66/97/37/1195669737.db2.gz	SLHXLHIJEZCJIV-IRXDYDNUSA-N	0	1	382.505	0.582	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000330664973	1195699937	/nfs/dbraw/zinc/69/99/37/1195699937.db2.gz	ZGXCUEIFLRDCMR-HZPDHXFCSA-N	0	1	389.566	0.330	20	30		GCEDMN
Cc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1S(=O)(=O)NCC#N	ZINC000330702262	1195703837	/nfs/dbraw/zinc/70/38/37/1195703837.db2.gz	OTJHLQBUPCVWER-OAHLLOKOSA-N	0	1	379.486	0.347	20	30		GCEDMN
C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)N1C	ZINC000330793574	1195708024	/nfs/dbraw/zinc/70/80/24/1195708024.db2.gz	VQHLOLYFYDNUCQ-OKILXGFUSA-N	0	1	396.513	0.793	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C	ZINC000330874986	1195710279	/nfs/dbraw/zinc/71/02/79/1195710279.db2.gz	ZNQWWQUZVDJTCU-GJZGRUSLSA-N	0	1	398.529	0.738	20	30		GCEDMN
C[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1cccc(S(N)(=O)=O)c1	ZINC000330998939	1195717159	/nfs/dbraw/zinc/71/71/59/1195717159.db2.gz	PMSOYXBOMFILJP-CYBMUJFWSA-N	0	1	384.502	0.698	20	30		GCEDMN
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NCCNS(C)(=O)=O	ZINC000331187983	1195723301	/nfs/dbraw/zinc/72/33/01/1195723301.db2.gz	JYLIJIVOGGTFES-DZGCQCFKSA-N	0	1	386.522	0.198	20	30		GCEDMN
CNS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nc1	ZINC000331194681	1195723421	/nfs/dbraw/zinc/72/34/21/1195723421.db2.gz	YIKHTHBBBXGDSY-CYBMUJFWSA-N	0	1	385.490	0.672	20	30		GCEDMN
CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCO[C@@H](C(N)=O)C2)CC1	ZINC000331200430	1195723504	/nfs/dbraw/zinc/72/35/04/1195723504.db2.gz	WOBLCLPGDSIYOW-CQSZACIVSA-N	0	1	383.493	0.763	20	30		GCEDMN
CC(C)N1CCO[C@@H](CN2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C1	ZINC000331313307	1195726965	/nfs/dbraw/zinc/72/69/65/1195726965.db2.gz	IEDYVFVQTPZAMB-KRWDZBQOSA-N	0	1	386.562	0.983	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CN2CCOCC2)CC1	ZINC000180696305	1195769335	/nfs/dbraw/zinc/76/93/35/1195769335.db2.gz	NYTPRVDKDMDDND-UXHICEINSA-N	0	1	391.560	0.865	20	30		GCEDMN
C[C@H](O)CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)CO	ZINC000190935741	1195930419	/nfs/dbraw/zinc/93/04/19/1195930419.db2.gz	YDNLXBZRJJWKEA-JYJNAYRXSA-N	0	1	380.514	0.521	20	30		GCEDMN
N#Cc1ccc(OC[C@H](O)CN2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000025951490	1195937218	/nfs/dbraw/zinc/93/72/18/1195937218.db2.gz	IVCBQDGEUSNDIS-LJQANCHMSA-N	0	1	386.496	0.928	20	30		GCEDMN
N#Cc1cnn(-c2ccc(C(=O)NCCCN3CCC[C@@H]3C(N)=O)cc2)c1N	ZINC000521676580	1196009418	/nfs/dbraw/zinc/00/94/18/1196009418.db2.gz	BXKNKJDQDAFFBA-MRXNPFEDSA-N	0	1	381.440	0.396	20	30		GCEDMN
C#CCNC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000142401161	1196011639	/nfs/dbraw/zinc/01/16/39/1196011639.db2.gz	PAEFVFAHAOTKTN-CABCVRRESA-N	0	1	380.489	0.477	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCN2CCCS2(=O)=O)[C@@H]1CC	ZINC001087732238	1196069535	/nfs/dbraw/zinc/06/95/35/1196069535.db2.gz	KGMXEWYOMPNQEJ-TWMKSMIVSA-N	0	1	385.530	0.582	20	30		GCEDMN
CCN1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)C2)CC1	ZINC000185602283	1196150021	/nfs/dbraw/zinc/15/00/21/1196150021.db2.gz	DHNPGCDZNHPRGZ-INIZCTEOSA-N	0	1	378.498	0.967	20	30		GCEDMN
CC(=O)N1CCC[C@](O)(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1	ZINC000329049124	1196159350	/nfs/dbraw/zinc/15/93/50/1196159350.db2.gz	QRWCCDFQJBRPPM-LJQANCHMSA-N	0	1	375.473	0.663	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1	ZINC000329079294	1196161838	/nfs/dbraw/zinc/16/18/38/1196161838.db2.gz	QUFJOBUMKMWUJJ-FHWLQOOXSA-N	0	1	377.533	0.474	20	30		GCEDMN
CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)C1	ZINC000329114485	1196165731	/nfs/dbraw/zinc/16/57/31/1196165731.db2.gz	HTJKIIFLWDTUKV-GJZGRUSLSA-N	0	1	396.517	0.958	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1	ZINC000329148913	1196168475	/nfs/dbraw/zinc/16/84/75/1196168475.db2.gz	YNKALPNBPXXRKM-GDBMZVCRSA-N	0	1	391.520	0.785	20	30		GCEDMN
CN1CC[C@H](N2CCC(NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1=O	ZINC000329336830	1196186815	/nfs/dbraw/zinc/18/68/15/1196186815.db2.gz	PLBXVDGDHXHDFT-KRWDZBQOSA-N	0	1	383.452	0.940	20	30		GCEDMN
CN1CCC[C@H]1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC000329384285	1196191357	/nfs/dbraw/zinc/19/13/57/1196191357.db2.gz	RPFSSFXUTJPJQH-AWEZNQCLSA-N	0	1	381.454	0.881	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1	ZINC000329473419	1196199361	/nfs/dbraw/zinc/19/93/61/1196199361.db2.gz	ONPDXMVVVYECMX-INIZCTEOSA-N	0	1	381.502	0.798	20	30		GCEDMN
C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CCN1c1nccn2cnnc12	ZINC000329608882	1196209614	/nfs/dbraw/zinc/20/96/14/1196209614.db2.gz	NFWQPCSSQHTAQH-OLZOCXBDSA-N	0	1	381.444	0.829	20	30		GCEDMN
CCc1nsc(N2CCCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)n1	ZINC000329647513	1196215017	/nfs/dbraw/zinc/21/50/17/1196215017.db2.gz	AQRBKTCATPGAJZ-AWEZNQCLSA-N	0	1	381.550	0.772	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@H]1C	ZINC000330870186	1196217953	/nfs/dbraw/zinc/21/79/53/1196217953.db2.gz	XFPYNQUIPYIZJR-KGLIPLIRSA-N	0	1	384.502	0.859	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329774321	1196230812	/nfs/dbraw/zinc/23/08/12/1196230812.db2.gz	MDJBENGXWPAFCK-MRXNPFEDSA-N	0	1	386.562	0.970	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N3CCN4CCOC[C@@H]4C3)cn2)CC1	ZINC000329808158	1196232327	/nfs/dbraw/zinc/23/23/27/1196232327.db2.gz	BPLLFTZFSSDCDV-SFHVURJKSA-N	0	1	388.516	0.654	20	30		GCEDMN
Cc1nc(CN2CCN(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)CC2)n[nH]1	ZINC000329845352	1196234180	/nfs/dbraw/zinc/23/41/80/1196234180.db2.gz	OPZJDPTWUPSEFP-UHFFFAOYSA-N	0	1	390.469	0.806	20	30		GCEDMN
Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH+]=C([O-])N[C@H]2CCc3ncnn3C2)cn1	ZINC000329921487	1196239199	/nfs/dbraw/zinc/23/91/99/1196239199.db2.gz	FUGGRGPEBXWDCJ-KKUMJFAQSA-N	0	1	376.440	0.443	20	30		GCEDMN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000329976677	1196243901	/nfs/dbraw/zinc/24/39/01/1196243901.db2.gz	YXINFJMWIVBBIX-GJZGRUSLSA-N	0	1	378.477	0.828	20	30		GCEDMN
O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCN(C2CCOCC2)CC1	ZINC000330024619	1196246864	/nfs/dbraw/zinc/24/68/64/1196246864.db2.gz	JVUNBZFURRVLQO-UHFFFAOYSA-N	0	1	392.504	0.557	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330097654	1196252582	/nfs/dbraw/zinc/25/25/82/1196252582.db2.gz	YNDFXPODKIKMMD-INIZCTEOSA-N	0	1	375.521	0.954	20	30		GCEDMN
Cn1cnc2c(c1=O)CCN(C(=O)NCc1ccnc(N3CCN(C)CC3)c1)C2	ZINC000330108734	1196253424	/nfs/dbraw/zinc/25/34/24/1196253424.db2.gz	OAGCTEATLNFMNO-UHFFFAOYSA-N	0	1	397.483	0.399	20	30		GCEDMN
C[C@H]1[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCN1C	ZINC000330162177	1196256961	/nfs/dbraw/zinc/25/69/61/1196256961.db2.gz	UILUIPQJUPKYDK-KBPBESRZSA-N	0	1	397.501	0.672	20	30		GCEDMN
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCCN2CCCOCC2)CC1	ZINC000330254878	1196261459	/nfs/dbraw/zinc/26/14/59/1196261459.db2.gz	JOVGISALMFOYNS-UHFFFAOYSA-N	0	1	390.550	0.805	20	30		GCEDMN
CN1CCN(C)[C@@H](CNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1	ZINC000330258466	1196261945	/nfs/dbraw/zinc/26/19/45/1196261945.db2.gz	MLBMPCXQFYDIOK-HNNXBMFYSA-N	0	1	389.566	0.329	20	30		GCEDMN
Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@H]2CCn3ccnc3C2)CC1	ZINC000330277759	1196262733	/nfs/dbraw/zinc/26/27/33/1196262733.db2.gz	OSRGWYDYHYTKEK-ZDUSSCGKSA-N	0	1	381.444	0.611	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cccc(C)c1C#N	ZINC000280915414	1196265889	/nfs/dbraw/zinc/26/58/89/1196265889.db2.gz	AJCXZIGBPRAWIQ-UHFFFAOYSA-N	0	1	394.497	0.278	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000280927151	1196266543	/nfs/dbraw/zinc/26/65/43/1196266543.db2.gz	BNBKQPOJWBPSIH-UHFFFAOYSA-N	0	1	394.497	0.110	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cc1ccc(OCC#N)cc1	ZINC000280992412	1196268991	/nfs/dbraw/zinc/26/89/91/1196268991.db2.gz	CNWCJDWXZKCKOV-UHFFFAOYSA-N	0	1	388.468	0.380	20	30		GCEDMN
COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1C	ZINC000281578618	1196309819	/nfs/dbraw/zinc/30/98/19/1196309819.db2.gz	PZIVXIPGGLXUHS-UHFFFAOYSA-N	0	1	394.497	0.278	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO	ZINC000281712023	1196323422	/nfs/dbraw/zinc/32/34/22/1196323422.db2.gz	DEKUWTHKEGEBGY-NJAFHUGGSA-N	0	1	380.514	0.795	20	30		GCEDMN
C#CCCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000840952309	1196492344	/nfs/dbraw/zinc/49/23/44/1196492344.db2.gz	YRHWQQLLSBFOFW-UHFFFAOYSA-N	0	1	399.538	0.703	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)N2CCN(CC)CC2)c1	ZINC000525894153	1196724055	/nfs/dbraw/zinc/72/40/55/1196724055.db2.gz	GWBUVTSUAFAPBO-MRXNPFEDSA-N	0	1	394.541	0.907	20	30		GCEDMN
Cn1cc([C@@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)C[C@H]2CO)cn1	ZINC000528472982	1196863018	/nfs/dbraw/zinc/86/30/18/1196863018.db2.gz	AUCMKWDMNDFCKA-LPHOPBHVSA-N	0	1	378.432	0.727	20	30		GCEDMN
C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1	ZINC000451929745	1197024802	/nfs/dbraw/zinc/02/48/02/1197024802.db2.gz	QCBUUASDUSWUJL-SJLPKXTDSA-N	0	1	378.498	0.909	20	30		GCEDMN
C[C@@H]1CCNC(=O)[C@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000193661946	1197148849	/nfs/dbraw/zinc/14/88/49/1197148849.db2.gz	XGDCKMNYXNZECW-KEYYUXOJSA-N	0	1	375.498	0.571	20	30		GCEDMN
C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2	ZINC001719932275	1197375077	/nfs/dbraw/zinc/37/50/77/1197375077.db2.gz	WUDXXNFMQQIILE-NGFQHRJXSA-N	0	1	377.420	0.881	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CNC(=O)C4)CC3)CC2)o1	ZINC000533448059	1197451578	/nfs/dbraw/zinc/45/15/78/1197451578.db2.gz	PCOMYWPDJVTHSG-UHFFFAOYSA-N	0	1	386.456	0.105	20	30		GCEDMN
COc1ccnc(N2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)c1	ZINC000533456393	1197452296	/nfs/dbraw/zinc/45/22/96/1197452296.db2.gz	QDEMSQUFOXWPCO-UHFFFAOYSA-N	0	1	397.439	0.796	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271770203	1197558972	/nfs/dbraw/zinc/55/89/72/1197558972.db2.gz	CXIPUMDQBIMLAX-CHWSQXEVSA-N	0	1	382.486	0.988	20	30		GCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO	ZINC000282298603	1198963785	/nfs/dbraw/zinc/96/37/85/1198963785.db2.gz	LRGPVKKLPWLVEK-NXHRZFHOSA-N	0	1	380.514	0.938	20	30		GCEDMN
N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCc4n[nH]nc42)C3)c[nH]1	ZINC000999807528	1198974707	/nfs/dbraw/zinc/97/47/07/1198974707.db2.gz	MUMVNWMJBGQUQC-VDERGJSUSA-N	0	1	379.424	0.986	20	30		GCEDMN
C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](OC)C1	ZINC001212426313	1198999367	/nfs/dbraw/zinc/99/93/67/1198999367.db2.gz	WKFRCEPZNKCDJX-JOCBIADPSA-N	0	1	387.484	0.529	20	30		GCEDMN
CN(CC(=O)N1CCN(CC2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000108340980	1199045271	/nfs/dbraw/zinc/04/52/71/1199045271.db2.gz	KVVNEIVVXKYGMM-UHFFFAOYSA-N	0	1	376.482	0.733	20	30		GCEDMN
C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ncn[nH]2)cc1	ZINC001002754791	1199253308	/nfs/dbraw/zinc/25/33/08/1199253308.db2.gz	FQJSHRGXGZXHNS-OIISXLGYSA-N	0	1	379.420	0.921	20	30		GCEDMN
C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)nn1	ZINC001002761374	1199259504	/nfs/dbraw/zinc/25/95/04/1199259504.db2.gz	SGTLRGGNIUFAPS-LYUDMSCLSA-N	0	1	381.440	0.853	20	30		GCEDMN
CCOC(=O)C[C@H](C)N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000543188807	1199571668	/nfs/dbraw/zinc/57/16/68/1199571668.db2.gz	XWWPKNTYLYEVIH-ZDUSSCGKSA-N	0	1	377.445	0.777	20	30		GCEDMN
O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCCN(CCN2CCOCC2)C1	ZINC000922343468	1199734148	/nfs/dbraw/zinc/73/41/48/1199734148.db2.gz	JFTSWVFLNRYGES-SFHVURJKSA-N	0	1	385.464	0.680	20	30		GCEDMN
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000765984930	1199755320	/nfs/dbraw/zinc/75/53/20/1199755320.db2.gz	CZYNWESPTJMXEA-KAMHRAILSA-N	0	1	376.335	0.332	20	30		GCEDMN
C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C)CC1	ZINC000282460939	1199966981	/nfs/dbraw/zinc/96/69/81/1199966981.db2.gz	LMVQRWLRKVDZQY-UHFFFAOYSA-N	0	1	393.539	0.935	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1OC	ZINC000946818946	1200174967	/nfs/dbraw/zinc/17/49/67/1200174967.db2.gz	RRZWWNLEEWTGPJ-WCXIOVBPSA-N	0	1	391.468	0.888	20	30		GCEDMN
C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCC(OC)CC2)c1	ZINC000674310671	1200218637	/nfs/dbraw/zinc/21/86/37/1200218637.db2.gz	IASKDGCMBYPARP-UHFFFAOYSA-N	0	1	381.498	0.992	20	30		GCEDMN
C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H](OC)C2)CC1	ZINC000946820414	1200270446	/nfs/dbraw/zinc/27/04/46/1200270446.db2.gz	VOWKCKLCCSDNOE-AKHDSKFASA-N	0	1	389.496	0.265	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)nn1CCC#N	ZINC000504095331	1200776378	/nfs/dbraw/zinc/77/63/78/1200776378.db2.gz	FRBWFCAZCJILKR-HNNXBMFYSA-N	0	1	388.472	0.755	20	30		GCEDMN
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000460585485	1200898978	/nfs/dbraw/zinc/89/89/78/1200898978.db2.gz	UKQWIAIGJMAGEF-OAHLLOKOSA-N	0	1	381.440	0.986	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCNC[C@@H]1C(C)C	ZINC000599887782	1200967814	/nfs/dbraw/zinc/96/78/14/1200967814.db2.gz	DRJOWEPLOALYGT-OAHLLOKOSA-N	0	1	381.440	0.842	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(-c2nccn2C)n[nH]1	ZINC000378206347	1201063997	/nfs/dbraw/zinc/06/39/97/1201063997.db2.gz	ZRGRDVMVAPUYHM-LLVKDONJSA-N	0	1	399.436	0.987	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(=O)[nH]c2)C3)CC1	ZINC001006134027	1201077693	/nfs/dbraw/zinc/07/76/93/1201077693.db2.gz	JJKGUONEFUYAJB-KURKYZTESA-N	0	1	382.464	0.994	20	30		GCEDMN
COc1ccc(CNC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1OC	ZINC000556344524	1201081274	/nfs/dbraw/zinc/08/12/74/1201081274.db2.gz	KCTHUSIUXAULOU-UHFFFAOYSA-N	0	1	386.456	1.062	20	30		GCEDMN
N#CCCN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1	ZINC000611174152	1201221441	/nfs/dbraw/zinc/22/14/41/1201221441.db2.gz	ADEJLWQGAOJLSS-UHFFFAOYSA-N	0	1	377.533	0.669	20	30		GCEDMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C(=O)N2CCCC2)C(C)C)CC1	ZINC000611395340	1201235843	/nfs/dbraw/zinc/23/58/43/1201235843.db2.gz	GMPALWWWXQZTBG-MJGOQNOKSA-N	0	1	377.533	0.915	20	30		GCEDMN
C#CCN1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@H]32)CC1	ZINC001079165208	1201248820	/nfs/dbraw/zinc/24/88/20/1201248820.db2.gz	JBQIUUZCZVEWMJ-IRIQXGSBSA-N	0	1	398.507	0.502	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCc2nnn(C(C)(C)C)n2)C[C@H]1C	ZINC001080472425	1201275253	/nfs/dbraw/zinc/27/52/53/1201275253.db2.gz	VFBDKDDNMIATEG-FPCVCCKLSA-N	0	1	376.505	0.998	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1OC	ZINC001081694290	1201297112	/nfs/dbraw/zinc/29/71/12/1201297112.db2.gz	UWEDTZOATMISMN-ZJPYXAASSA-N	0	1	375.469	0.682	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNC(=O)c1n[nH]c2ccccc21	ZINC000728100858	1201397059	/nfs/dbraw/zinc/39/70/59/1201397059.db2.gz	PBGYXYSSQLLGON-NSHDSACASA-N	0	1	387.396	0.626	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNC(=O)c1n[nH]c2ccccc21	ZINC000728100857	1201397778	/nfs/dbraw/zinc/39/77/78/1201397778.db2.gz	PBGYXYSSQLLGON-LLVKDONJSA-N	0	1	387.396	0.626	20	30		GCEDMN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(CCOC)C2)c1	ZINC000729982646	1201422729	/nfs/dbraw/zinc/42/27/29/1201422729.db2.gz	CVVNNYMUWVNPAM-MRXNPFEDSA-N	0	1	379.482	0.439	20	30		GCEDMN
S=C(NCCc1ccccn1)NN=C1CCN(CCN2CCOCC2)CC1	ZINC000731558242	1201487945	/nfs/dbraw/zinc/48/79/45/1201487945.db2.gz	OBLLXPKWHLIGKJ-UHFFFAOYSA-N	0	1	390.557	0.872	20	30		GCEDMN
Cn1c(=O)c2ccc(C(=O)NCCNC(=O)C3N=CC=CC3=O)cc2[nH]c1=S	ZINC000731889606	1201508178	/nfs/dbraw/zinc/50/81/78/1201508178.db2.gz	PSUXOYHZTHHUCK-PEZBUJJGSA-N	0	1	399.432	0.478	20	30		GCEDMN
N#Cc1cccnc1NCCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC000734662601	1201658746	/nfs/dbraw/zinc/65/87/46/1201658746.db2.gz	AORUMSLFIJLOAN-KRWDZBQOSA-N	0	1	387.488	0.071	20	30		GCEDMN
C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000735116484	1201679357	/nfs/dbraw/zinc/67/93/57/1201679357.db2.gz	NFHLWHOGVXVTEF-YFUPBZDXSA-N	0	1	396.407	0.324	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000735939471	1201705967	/nfs/dbraw/zinc/70/59/67/1201705967.db2.gz	GHITTWAXAVSQTP-QGZVFWFLSA-N	0	1	398.525	0.691	20	30		GCEDMN
O=C(CCN=C1NS(=O)(=O)c2ccccc21)NC1(c2nn[nH]n2)CCCC1	ZINC000736159088	1201710986	/nfs/dbraw/zinc/71/09/86/1201710986.db2.gz	AXPFOXSVULJYOY-UHFFFAOYSA-N	0	1	389.441	0.214	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1	ZINC000741217741	1201763072	/nfs/dbraw/zinc/76/30/72/1201763072.db2.gz	HRAVEUNFNYSMAC-UHFFFAOYSA-N	0	1	379.461	0.170	20	30		GCEDMN
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H](CN3CCOCC3)C2)C1=O	ZINC000742161687	1201791190	/nfs/dbraw/zinc/79/11/90/1201791190.db2.gz	MSFDMOWAINOKIZ-UWJYYQICSA-N	0	1	397.479	0.937	20	30		GCEDMN
N#Cc1ccc(CN2C(=O)CN(CN3CC[C@H](CN4CCOCC4)C3)C2=O)cc1	ZINC000742161631	1201791337	/nfs/dbraw/zinc/79/13/37/1201791337.db2.gz	MCLKEUHQFPZHMV-LJQANCHMSA-N	0	1	397.479	0.934	20	30		GCEDMN
C[C@@H](CC(=O)NCCN1CCSCC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000742665109	1201804610	/nfs/dbraw/zinc/80/46/10/1201804610.db2.gz	BSGKTRZHUBLJQT-ZDUSSCGKSA-N	0	1	396.538	0.669	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1	ZINC000746216261	1201903873	/nfs/dbraw/zinc/90/38/73/1201903873.db2.gz	VXVVQRLWPYGKCO-HXUWFJFHSA-N	0	1	382.508	0.935	20	30		GCEDMN
CC(C)[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21	ZINC000766452870	1201924945	/nfs/dbraw/zinc/92/49/45/1201924945.db2.gz	IJUXKRZBZKWPMY-AWEZNQCLSA-N	0	1	390.465	0.910	20	30		GCEDMN
CCC[C@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCN1CCOC	ZINC000766793448	1201955136	/nfs/dbraw/zinc/95/51/36/1201955136.db2.gz	LUUURTKXGKIOOL-HEWTWTGNSA-N	0	1	393.488	0.655	20	30		GCEDMN
CN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2	ZINC001109117553	1201996634	/nfs/dbraw/zinc/99/66/34/1201996634.db2.gz	CXGXTBMQMIIIME-YCPHGPKFSA-N	0	1	379.486	0.503	20	30		GCEDMN
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC1(C#N)CCN(C)CC1	ZINC000768320485	1202010138	/nfs/dbraw/zinc/01/01/38/1202010138.db2.gz	WUNGZBJDYQPCAH-HNNXBMFYSA-N	0	1	395.504	0.756	20	30		GCEDMN
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C3CC3)c1Cl)C2	ZINC001109486359	1202062110	/nfs/dbraw/zinc/06/21/10/1202062110.db2.gz	WFRVLXSLWXVLAO-WOPDTQHZSA-N	0	1	376.848	0.915	20	30		GCEDMN
Cn1cnn(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C#N)c2)c1=O	ZINC001109558163	1202078629	/nfs/dbraw/zinc/07/86/29/1202078629.db2.gz	PSRUBRAVUSXXHY-SQNIBIBYSA-N	0	1	380.452	0.765	20	30		GCEDMN
C=C(C)CN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NC(=O)N(C)C1)C2	ZINC001109672804	1202103247	/nfs/dbraw/zinc/10/32/47/1202103247.db2.gz	UUFQCKNCFJGWIA-YCPHGPKFSA-N	0	1	375.473	0.885	20	30		GCEDMN
C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(C#N)ccc1O	ZINC000771026473	1202121580	/nfs/dbraw/zinc/12/15/80/1202121580.db2.gz	BUHJTJLTPGXUDO-SNVBAGLBSA-N	0	1	388.405	0.668	20	30		GCEDMN
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O	ZINC001109804257	1202127756	/nfs/dbraw/zinc/12/77/56/1202127756.db2.gz	IUWUBUWURXLGPJ-QZWWFDLISA-N	0	1	377.489	0.204	20	30		GCEDMN
C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC[C@@H]2CCCO2)nn1	ZINC001109814102	1202129098	/nfs/dbraw/zinc/12/90/98/1202129098.db2.gz	MBPLWYUFDCWZGK-CVYDXHPNSA-N	0	1	375.473	0.995	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C)c(C)c1O	ZINC000771888944	1202166318	/nfs/dbraw/zinc/16/63/18/1202166318.db2.gz	IQYOVRSDYSHYSN-UHFFFAOYSA-N	0	1	380.426	0.109	20	30		GCEDMN
Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)n1C1CC1	ZINC000771890325	1202167736	/nfs/dbraw/zinc/16/77/36/1202167736.db2.gz	GEFGRYOKIGTMEU-UHFFFAOYSA-N	0	1	379.442	0.150	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCSc3c(F)cccc32)c(=O)n(C)c1=O	ZINC000771889873	1202168063	/nfs/dbraw/zinc/16/80/63/1202168063.db2.gz	LMGDKPGAVBJWCW-UHFFFAOYSA-N	0	1	398.441	0.402	20	30		GCEDMN
CCO[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C12CCCC2	ZINC000771891253	1202168066	/nfs/dbraw/zinc/16/80/66/1202168066.db2.gz	KPVPTACNXPDHRG-ZDUSSCGKSA-N	0	1	384.458	0.088	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1sc(C(C)C)nc1C	ZINC000771891266	1202168434	/nfs/dbraw/zinc/16/84/34/1202168434.db2.gz	KZPIRWZGDIMPLW-UHFFFAOYSA-N	0	1	399.498	0.675	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)c1ccc(F)cc1	ZINC000771891152	1202168516	/nfs/dbraw/zinc/16/85/16/1202168516.db2.gz	JRQGWKZWVOQYBN-UHFFFAOYSA-N	0	1	396.444	0.855	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC[C@H]2c2ccccc2)c(=O)n(C)c1=O	ZINC000771896624	1202168596	/nfs/dbraw/zinc/16/85/96/1202168596.db2.gz	DTVVGIWJYCXXDK-ZDUSSCGKSA-N	0	1	376.438	0.686	20	30		GCEDMN
CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OC)cc1	ZINC000771898470	1202168882	/nfs/dbraw/zinc/16/88/82/1202168882.db2.gz	YEJQOIIEKXOSRG-UHFFFAOYSA-N	0	1	380.426	0.185	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc2ccccc2s1	ZINC000771898573	1202169056	/nfs/dbraw/zinc/16/90/56/1202169056.db2.gz	OTMVHBOQNYXPLI-UHFFFAOYSA-N	0	1	393.450	0.396	20	30		GCEDMN
C[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCc1ccccc1	ZINC000771897320	1202169109	/nfs/dbraw/zinc/16/91/09/1202169109.db2.gz	LFDWOCIWIAHKDL-CYBMUJFWSA-N	0	1	378.454	0.617	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(C(N)=O)ccc1F)c1ccn[nH]1	ZINC000772122416	1202174632	/nfs/dbraw/zinc/17/46/32/1202174632.db2.gz	KQMNWRABMHIOIZ-UHFFFAOYSA-N	0	1	377.332	0.570	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)CC1	ZINC000772110339	1202174651	/nfs/dbraw/zinc/17/46/51/1202174651.db2.gz	QNRJISREALBPCJ-UHFFFAOYSA-N	0	1	388.420	0.799	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772109640	1202174696	/nfs/dbraw/zinc/17/46/96/1202174696.db2.gz	MJHMUBUOUBUJPO-QFBILLFUSA-N	0	1	398.525	0.593	20	30		GCEDMN
C#CCN1CCC(C(=O)OCn2nnc3c(cnn3-c3ccccc3)c2=O)CC1	ZINC000772115504	1202174718	/nfs/dbraw/zinc/17/47/18/1202174718.db2.gz	IRGHATFZMPXNFZ-UHFFFAOYSA-N	0	1	392.419	0.823	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1	ZINC000772109172	1202174920	/nfs/dbraw/zinc/17/49/20/1202174920.db2.gz	JEWZBENODBBQKL-UHFFFAOYSA-N	0	1	389.427	0.923	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)CC1	ZINC000772109638	1202174950	/nfs/dbraw/zinc/17/49/50/1202174950.db2.gz	MJHMUBUOUBUJPO-LPHOPBHVSA-N	0	1	398.525	0.593	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccn[nH]1	ZINC000772125388	1202175394	/nfs/dbraw/zinc/17/53/94/1202175394.db2.gz	TXXSKKZWOGCIRE-ZDUSSCGKSA-N	0	1	390.400	0.708	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CCCO1	ZINC000787734684	1205401528	/nfs/dbraw/zinc/40/15/28/1205401528.db2.gz	CRHQYOLIZXKBNV-UFYCRDLUSA-N	0	1	398.507	0.388	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccnc(-n2cccn2)c1)c1ccn[nH]1	ZINC000789952416	1205453106	/nfs/dbraw/zinc/45/31/06/1205453106.db2.gz	BFQSODHTKJBNPS-UHFFFAOYSA-N	0	1	397.395	0.591	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-n2nccn2)cc1)c1ccn[nH]1	ZINC000789963519	1205453440	/nfs/dbraw/zinc/45/34/40/1205453440.db2.gz	BFQROKYPWDTNRU-UHFFFAOYSA-N	0	1	383.368	0.913	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1	ZINC000746871290	1205453696	/nfs/dbraw/zinc/45/36/96/1205453696.db2.gz	JVFGRZUFPKJDDB-UHFFFAOYSA-N	0	1	385.530	0.231	20	30		GCEDMN
CC(N=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(=O)[nH]n1	ZINC000790162336	1205457620	/nfs/dbraw/zinc/45/76/20/1205457620.db2.gz	QPICFIMHYNCTMZ-UHFFFAOYSA-N	0	1	390.469	0.954	20	30		GCEDMN
Cc1nn(C)c(N2CCN(CN3C[C@@]4(CN5CCC4CC5)OC3=O)CC2)c1C#N	ZINC000790389624	1205463427	/nfs/dbraw/zinc/46/34/27/1205463427.db2.gz	RMAYDLMIQPCAJG-HXUWFJFHSA-N	0	1	399.499	0.596	20	30		GCEDMN
N#Cc1ccc(N2CCN(CN3C[C@@]4(CN5CCC4CC5)OC3=O)CC2)nc1	ZINC000790368550	1205463458	/nfs/dbraw/zinc/46/34/58/1205463458.db2.gz	JOIOGNHVGUQWLB-HXUWFJFHSA-N	0	1	382.468	0.949	20	30		GCEDMN
Cc1nn(C)c(N2CCN(CN3C[C@]4(CN5CCC4CC5)OC3=O)CC2)c1C#N	ZINC000790389623	1205463482	/nfs/dbraw/zinc/46/34/82/1205463482.db2.gz	RMAYDLMIQPCAJG-FQEVSTJZSA-N	0	1	399.499	0.596	20	30		GCEDMN
CN(CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1	ZINC000793837309	1205506983	/nfs/dbraw/zinc/50/69/83/1205506983.db2.gz	CHESPHJCWWNAII-UHFFFAOYSA-N	0	1	380.452	0.730	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1	ZINC001129855954	1205521302	/nfs/dbraw/zinc/52/13/02/1205521302.db2.gz	SDZSYLQRYQBZSU-NCOADZHNSA-N	0	1	390.488	0.079	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCCCC)[C@@H](n2ccnn2)C1	ZINC001130009641	1205529441	/nfs/dbraw/zinc/52/94/41/1205529441.db2.gz	ZBAUZFYRKNAFFK-NCOADZHNSA-N	0	1	390.488	0.127	20	30		GCEDMN
Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@H]2NCC(=O)NCC#N)c1	ZINC001130624125	1205556381	/nfs/dbraw/zinc/55/63/81/1205556381.db2.gz	LQQGMCHPBRUNJX-JYYAWHABSA-N	0	1	386.500	0.626	20	30		GCEDMN
Cn1cc([C@@H]2C[C@H]2C(=O)NCc2n[nH]c([C@H]3CC[C@@H](CNCC#N)O3)n2)cn1	ZINC001130806662	1205572146	/nfs/dbraw/zinc/57/21/46/1205572146.db2.gz	HKYARGPGKTUVNS-BYNSBNAKSA-N	0	1	384.444	0.291	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)NCC(=O)NCC#N)cc2F)CC1	ZINC000807551918	1205584333	/nfs/dbraw/zinc/58/43/33/1205584333.db2.gz	ICOCTZKIZFZAEB-UHFFFAOYSA-N	0	1	376.436	0.407	20	30		GCEDMN
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3cnn(CC#N)c3)cc2)[nH]1	ZINC000747433696	1205594351	/nfs/dbraw/zinc/59/43/51/1205594351.db2.gz	NHXNFIDQTZTXRW-UHFFFAOYSA-N	0	1	380.364	0.853	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2	ZINC001110103190	1205628468	/nfs/dbraw/zinc/62/84/68/1205628468.db2.gz	IYLGMYVNUMJZPQ-WCVJEAGWSA-N	0	1	377.489	0.204	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1coc2ccccc12	ZINC000747764632	1205660983	/nfs/dbraw/zinc/66/09/83/1205660983.db2.gz	YSPZCYUICFGRKW-UHFFFAOYSA-N	0	1	376.394	0.533	20	30		GCEDMN
COc1ncc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1	ZINC000812225435	1205662717	/nfs/dbraw/zinc/66/27/17/1205662717.db2.gz	ZGHOLXUDQSTDST-UHFFFAOYSA-N	0	1	396.498	0.929	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1	ZINC000747820431	1205668722	/nfs/dbraw/zinc/66/87/22/1205668722.db2.gz	VWYPSCCSWIODNQ-HNNXBMFYSA-N	0	1	377.485	0.638	20	30		GCEDMN
C#CCN1CCN(C(=O)CN(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1	ZINC000812835659	1205669442	/nfs/dbraw/zinc/66/94/42/1205669442.db2.gz	UBGHOSJBKNGPSE-KRWDZBQOSA-N	0	1	378.517	0.999	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1	ZINC000747854110	1205675316	/nfs/dbraw/zinc/67/53/16/1205675316.db2.gz	FUBVWRHWNCJOQO-UHFFFAOYSA-N	0	1	398.511	0.504	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(C2(O)COC2)cc1)c1ccn[nH]1	ZINC000813767918	1205680174	/nfs/dbraw/zinc/68/01/74/1205680174.db2.gz	BELHKMKKQFHCSK-UHFFFAOYSA-N	0	1	388.380	0.550	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1ccc2c([nH+]1)N(C)CC(=O)N2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170744151	1205690606	/nfs/dbraw/zinc/69/06/06/1205690606.db2.gz	MQPOVISOLXUTOJ-BMLIUANNSA-N	0	1	391.453	0.435	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1cncc(-n2cc[nH+]c2C)n1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170743925	1205690630	/nfs/dbraw/zinc/69/06/30/1205690630.db2.gz	ASBYRXCXQMGZCR-SJKOYZFVSA-N	0	1	388.453	0.936	20	30		GCEDMN
C=C[C@@H](O)C(=O)OCC1=NC(=O)N[C@@H](c2ccc(OC)cc2)C1C(=O)OCC	ZINC000814546424	1205693238	/nfs/dbraw/zinc/69/32/38/1205693238.db2.gz	BXQYUFKXTVLHJZ-ZBFHGGJFSA-N	0	1	390.392	0.956	20	30		GCEDMN
C#CCNC(=O)C1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1	ZINC000747968404	1205694898	/nfs/dbraw/zinc/69/48/98/1205694898.db2.gz	DSFCUDWYVIFLDP-LJQANCHMSA-N	0	1	397.475	0.574	20	30		GCEDMN
Cn1ncc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1Cl	ZINC000814745814	1205695477	/nfs/dbraw/zinc/69/54/77/1205695477.db2.gz	HVXRBEVMXGANLS-UHFFFAOYSA-N	0	1	397.892	0.851	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1	ZINC000747981460	1205696142	/nfs/dbraw/zinc/69/61/42/1205696142.db2.gz	PUKWELOXHYGHDE-SFHVURJKSA-N	0	1	377.533	0.429	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC(c3cc(F)cc(F)c3)C2)c(=O)n(C)c1=O	ZINC000814883583	1205696445	/nfs/dbraw/zinc/69/64/45/1205696445.db2.gz	SCYCAYCPECCSJY-UHFFFAOYSA-N	0	1	398.391	0.574	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC[C@@H](c3ccccc3)C2)c(=O)n(C)c1=O	ZINC000814883722	1205696501	/nfs/dbraw/zinc/69/65/01/1205696501.db2.gz	YCCMUWKBVJNHKQ-CYBMUJFWSA-N	0	1	376.438	0.686	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CC[C@H]3CNc4cccc2c43)c(=O)n(C)c1=O	ZINC000814883624	1205696550	/nfs/dbraw/zinc/69/65/50/1205696550.db2.gz	ULTQZVWHBIRUIH-JTQLQIEISA-N	0	1	389.437	0.070	20	30		GCEDMN
N#Cc1ccc(O)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1	ZINC000748005516	1205705322	/nfs/dbraw/zinc/70/53/22/1205705322.db2.gz	RFFGWLFWMXJKRP-NSHDSACASA-N	0	1	376.394	0.368	20	30		GCEDMN
C[C@H]1CN([O-])C(=O)[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173694574	1205726623	/nfs/dbraw/zinc/72/66/23/1205726623.db2.gz	VNSLMWSSTPUKHK-NHYWBVRUSA-N	0	1	398.441	0.574	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cn(C)nc1Br)c1ccn[nH]1	ZINC001176718184	1205753031	/nfs/dbraw/zinc/75/30/31/1205753031.db2.gz	XDHOSYVBYHPTBM-UHFFFAOYSA-N	0	1	399.205	0.828	20	30		GCEDMN
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1nc(C#N)c(C#N)nc1N	ZINC001177079269	1205761041	/nfs/dbraw/zinc/76/10/41/1205761041.db2.gz	SIFHBHVJAGQNLP-JTQLQIEISA-N	0	1	397.399	0.600	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCCC[C@H]1C(=O)OCC)c1cc[nH]n1	ZINC001177258611	1205764146	/nfs/dbraw/zinc/76/41/46/1205764146.db2.gz	MCEIHNGLWGIGGA-NSPLTWOJSA-N	0	1	380.401	0.638	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccnc1-n1cccn1)c1ccn[nH]1	ZINC001177254690	1205764895	/nfs/dbraw/zinc/76/48/95/1205764895.db2.gz	VQNUFYXWUFNKPW-HAHDFKILSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(Cl)ncc1CO)c1ccn[nH]1	ZINC001177257588	1205765052	/nfs/dbraw/zinc/76/50/52/1205765052.db2.gz	TWWFVSAAEQWPEJ-STZFKDTASA-N	0	1	381.776	0.873	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(-n2nccn2)c1)c1ccn[nH]1	ZINC001177262789	1205765146	/nfs/dbraw/zinc/76/51/46/1205765146.db2.gz	ISFCJCZCQFPZNJ-KQWNVCNZSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cc(C#N)cc(C(=O)OC)c1)c1ccn[nH]1	ZINC001177262483	1205765219	/nfs/dbraw/zinc/76/52/19/1205765219.db2.gz	DHHJMCHFXCGZPV-KQWNVCNZSA-N	0	1	399.363	0.990	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CC(N2CCOC(C)(C)C2)C1)c1cc[nH]n1	ZINC001177262387	1205765285	/nfs/dbraw/zinc/76/52/85/1205765285.db2.gz	BPXPDAPBYNGFPO-PGMHBOJBSA-N	0	1	393.444	0.015	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc2c1NC(=O)NC2)c1ccn[nH]1	ZINC001177262485	1205765349	/nfs/dbraw/zinc/76/53/49/1205765349.db2.gz	DIIGJLRXTUUEQN-HAHDFKILSA-N	0	1	386.368	0.967	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1C(=O)Nc2ccc(C)cc21)c1ccn[nH]1	ZINC001177263457	1205765407	/nfs/dbraw/zinc/76/54/07/1205765407.db2.gz	XNJJSSDPUHCTBR-XKBVJOOISA-N	0	1	385.380	0.812	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H](O)COc1ccccc1)c1ccn[nH]1	ZINC001177263495	1205765447	/nfs/dbraw/zinc/76/54/47/1205765447.db2.gz	YGZWHQHAQGTCKN-YSFPUWIGSA-N	0	1	390.396	0.250	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc2cn(C)nc21)c1ccn[nH]1	ZINC001177263772	1205765460	/nfs/dbraw/zinc/76/54/60/1205765460.db2.gz	DFGYCLTUMWMYRA-QJOMJCCJSA-N	0	1	384.396	0.897	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F)c1cc[nH]n1	ZINC001177263625	1205765614	/nfs/dbraw/zinc/76/56/14/1205765614.db2.gz	XOPQYFABEJJHAO-BSJAQBBRSA-N	0	1	386.355	0.434	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1nn(C)c2ccccc12)c1ccn[nH]1	ZINC001177263684	1205765620	/nfs/dbraw/zinc/76/56/20/1205765620.db2.gz	AGXGJWKSOHUCBG-QJOMJCCJSA-N	0	1	384.396	0.897	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC1=C(C(=O)OCC)CO[C@H]1C)c1ccn[nH]1	ZINC001177263962	1205765821	/nfs/dbraw/zinc/76/58/21/1205765821.db2.gz	MAXHOVIZACSIFG-FHUWPUKUSA-N	0	1	394.384	0.046	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccnc(OC(C)C)n1)c1ccn[nH]1	ZINC001177266223	1205766081	/nfs/dbraw/zinc/76/60/81/1205766081.db2.gz	HFVOQYWMTNDRIK-HAHDFKILSA-N	0	1	390.400	0.587	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(C(=O)OC)[nH]1)c1ccn[nH]1	ZINC001177266893	1205766276	/nfs/dbraw/zinc/76/62/76/1205766276.db2.gz	QDECTSJWTGYZKE-STZFKDTASA-N	0	1	377.357	0.125	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1ccncc1OC)c1ccn[nH]1	ZINC001177267420	1205766298	/nfs/dbraw/zinc/76/62/98/1205766298.db2.gz	YFJRQDHXHQYOSV-JWGURIENSA-N	0	1	375.385	0.456	20	30		GCEDMN
N#Cc1cc(CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)ccn2)ccn1	ZINC001177674862	1205774007	/nfs/dbraw/zinc/77/40/07/1205774007.db2.gz	PZUCZCBZHWMSIF-UHFFFAOYSA-N	0	1	385.449	0.442	20	30		GCEDMN
N#C[C@@H](Cc1cccs1)C(=O)n1c(N)c2ncn(COCCO)c2nc1=N	ZINC001177904363	1205779051	/nfs/dbraw/zinc/77/90/51/1205779051.db2.gz	OUHBBOHWTZQMTM-SNVBAGLBSA-N	0	1	387.425	0.345	20	30		GCEDMN
N#C[C@H](Cc1cccs1)C(=O)n1c(N)c2ncn(COCCO)c2nc1=N	ZINC001177904359	1205779167	/nfs/dbraw/zinc/77/91/67/1205779167.db2.gz	OUHBBOHWTZQMTM-JTQLQIEISA-N	0	1	387.425	0.345	20	30		GCEDMN
CC(=O)N1CC2(C1)CN(C(=O)C(C#N)Cc1cccs1)C[C@@H]2C(=O)N(C)C	ZINC001177912797	1205779300	/nfs/dbraw/zinc/77/93/00/1205779300.db2.gz	UEFIQQNRPNIEGR-GOEBONIOSA-N	0	1	388.493	0.825	20	30		GCEDMN
COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001177909866	1205779493	/nfs/dbraw/zinc/77/94/93/1205779493.db2.gz	QRLSTBLNWRDRBE-AAEUAGOBSA-N	0	1	382.463	0.619	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@]1(OC(C)C)CCOC1)c1ccn[nH]1	ZINC001178524390	1205788453	/nfs/dbraw/zinc/78/84/53/1205788453.db2.gz	UDPFKMDZIQVQLC-KRWDZBQOSA-N	0	1	382.417	0.394	20	30		GCEDMN
N#C[C@@]12CN(C(=O)C3CCN([C@@H]4CCSC4)CC3)C[C@H]1CS(=O)(=O)C2	ZINC001178756992	1205794042	/nfs/dbraw/zinc/79/40/42/1205794042.db2.gz	IMIOQDPNSIPSOV-UXLLHSPISA-N	0	1	383.539	0.601	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[C@H]1CCCO1	ZINC000773799195	1205801878	/nfs/dbraw/zinc/80/18/78/1205801878.db2.gz	RPKAPBFNTWDKTF-RBUKOAKNSA-N	0	1	384.480	0.670	20	30		GCEDMN
CCOC(=O)C(C#N)NC(=O)C1(C(=O)OCC)CN(C(=O)OC(C)(C)C)C1	ZINC001181577114	1205846892	/nfs/dbraw/zinc/84/68/92/1205846892.db2.gz	PQNUMMKAVCVTEJ-NSHDSACASA-N	0	1	383.401	0.358	20	30		GCEDMN
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1CCC[N@H+]1CC1CC1	ZINC001182560167	1205876606	/nfs/dbraw/zinc/87/66/06/1205876606.db2.gz	CYZIJMMTOGNJIB-STQMWFEESA-N	0	1	381.435	0.403	20	30		GCEDMN
N#Cc1ccc(OCC(=O)N2Cc3n[nH]c(C(=O)N4CCOCC4)c3C2)cc1	ZINC001182912754	1205883047	/nfs/dbraw/zinc/88/30/47/1205883047.db2.gz	FJCJTKVACRIYLY-UHFFFAOYSA-N	0	1	381.392	0.675	20	30		GCEDMN
N#Cc1c(N)nn(C(=O)CNC(=O)c2nc(Cl)c3ccccc3c2O)c1N	ZINC001183425794	1205892215	/nfs/dbraw/zinc/89/22/15/1205892215.db2.gz	URMBFMLIUUMAGK-UHFFFAOYSA-N	0	1	385.771	0.897	20	30		GCEDMN
CN(C)[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccccc1	ZINC000774780285	1205913411	/nfs/dbraw/zinc/91/34/11/1205913411.db2.gz	MOJGNRYPFDPXRP-KRWDZBQOSA-N	0	1	380.452	0.900	20	30		GCEDMN
COc1cc(C[N@H+]2CC[C@H](Nc3[n-]c(=O)n(C)c(=O)c3C#N)C2)cc(OC)c1	ZINC001185707434	1205928736	/nfs/dbraw/zinc/92/87/36/1205928736.db2.gz	BDELIFHMGJTTRD-ZDUSSCGKSA-N	0	1	385.424	0.649	20	30		GCEDMN
N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000775045912	1205945927	/nfs/dbraw/zinc/94/59/27/1205945927.db2.gz	VMBOPRPSNUNMIR-SFHVURJKSA-N	0	1	392.463	0.872	20	30		GCEDMN
N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000775045910	1205946037	/nfs/dbraw/zinc/94/60/37/1205946037.db2.gz	VMBOPRPSNUNMIR-GOSISDBHSA-N	0	1	392.463	0.872	20	30		GCEDMN
O=C1C=C2CN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)CCC2S1	ZINC001188506869	1205984959	/nfs/dbraw/zinc/98/49/59/1205984959.db2.gz	TVZORPNXCLUOQA-AWEZNQCLSA-N	0	1	381.479	0.881	20	30		GCEDMN
COc1ccc(C#N)c(C(=O)N(Cc2noc3c2CNCC3)S(C)(=O)=O)c1	ZINC001189074424	1205995899	/nfs/dbraw/zinc/99/58/99/1205995899.db2.gz	VNAKSLRNAPSNIB-UHFFFAOYSA-N	0	1	390.421	0.803	20	30		GCEDMN
COC(=O)C1(C#N)CCN(C(=O)c2n[nH]cc2I)CC1	ZINC001189137927	1205997710	/nfs/dbraw/zinc/99/77/10/1205997710.db2.gz	OWRZVVSSKWTKBJ-UHFFFAOYSA-N	0	1	388.165	0.933	20	30		GCEDMN
Cc1n[nH]c(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1	ZINC001189864452	1206018220	/nfs/dbraw/zinc/01/82/20/1206018220.db2.gz	MQNNRKIXNZGGFW-IBGZPJMESA-N	0	1	396.407	0.259	20	30		GCEDMN
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O	ZINC001110424759	1206030117	/nfs/dbraw/zinc/03/01/17/1206030117.db2.gz	XLWJBIXQSKESNX-TVFCKZIOSA-N	0	1	379.501	0.674	20	30		GCEDMN
C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1CCCC1=O	ZINC001110424759	1206030121	/nfs/dbraw/zinc/03/01/21/1206030121.db2.gz	XLWJBIXQSKESNX-TVFCKZIOSA-N	0	1	379.501	0.674	20	30		GCEDMN
N#Cc1nccnc1N1CCN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)CC1	ZINC001190619704	1206039279	/nfs/dbraw/zinc/03/92/79/1206039279.db2.gz	ACLYNFWSEGUIBZ-UHFFFAOYSA-N	0	1	388.391	0.868	20	30		GCEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(C#N)c(C#N)n4)C3)O2)CC1	ZINC001164895392	721438937	/nfs/dbraw/zinc/43/89/37/721438937.db2.gz	OILBISXCBIQLHL-JXFKEZNVSA-N	0	1	381.484	0.985	20	30		GCEDMN
CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)c1ccnc(-c2nn[nH]n2)n1	ZINC001571312421	946491541	/nfs/dbraw/zinc/49/15/41/946491541.db2.gz	COBITBZHQNSLHO-AWEZNQCLSA-N	0	1	392.427	0.988	20	30		GCEDMN
C#CCCCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001573284153	946737286	/nfs/dbraw/zinc/73/72/86/946737286.db2.gz	SMGNBGSDYHIWFE-UHFFFAOYSA-N	0	1	384.444	0.298	20	30		GCEDMN
C#CCCCC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](OCC)C1	ZINC001573285479	946781552	/nfs/dbraw/zinc/78/15/52/946781552.db2.gz	YMMSLPUGQUUINT-RHSMWYFYSA-N	0	1	383.456	0.763	20	30		GCEDMN
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573543349	946806880	/nfs/dbraw/zinc/80/68/80/946806880.db2.gz	XPOPRSUIGGRKAJ-JTQLQIEISA-N	0	1	379.388	0.594	20	30		GCEDMN
C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001573287428	946834502	/nfs/dbraw/zinc/83/45/02/946834502.db2.gz	NKMTYZMTCWTVJP-GOEBONIOSA-N	0	1	383.456	0.810	20	30		GCEDMN
C#CCOCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001573287425	946835974	/nfs/dbraw/zinc/83/59/74/946835974.db2.gz	NKMTYZMTCWTVJP-GDBMZVCRSA-N	0	1	383.456	0.810	20	30		GCEDMN
C#CCOCCC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)c1ccccc1	ZINC001573287343	946836234	/nfs/dbraw/zinc/83/62/34/946836234.db2.gz	NBJQIBZKNWKCPZ-SFHVURJKSA-N	0	1	391.435	0.993	20	30		GCEDMN
C#CCOCCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1	ZINC001573287431	946836320	/nfs/dbraw/zinc/83/63/20/946836320.db2.gz	NKMTYZMTCWTVJP-ZBFHGGJFSA-N	0	1	383.456	0.810	20	30		GCEDMN
C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1	ZINC001573289263	946881699	/nfs/dbraw/zinc/88/16/99/946881699.db2.gz	XRWABVDRSNDWBE-HNNXBMFYSA-N	0	1	390.407	0.013	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nc1	ZINC001573289466	946884346	/nfs/dbraw/zinc/88/43/46/946884346.db2.gz	ZHAKSLXGQCQSBI-GFCCVEGCSA-N	0	1	383.437	0.185	20	30		GCEDMN
C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nc1	ZINC001573289466	946884360	/nfs/dbraw/zinc/88/43/60/946884360.db2.gz	ZHAKSLXGQCQSBI-GFCCVEGCSA-N	0	1	383.437	0.185	20	30		GCEDMN
C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1	ZINC001573290061	946897020	/nfs/dbraw/zinc/89/70/20/946897020.db2.gz	UDUHIYUMVRAVDF-KBMXLJTQSA-N	0	1	381.440	0.836	20	30		GCEDMN
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1	ZINC001573290143	946899272	/nfs/dbraw/zinc/89/92/72/946899272.db2.gz	FUFRXQQCTAZURL-CJNGLKHVSA-N	0	1	388.435	0.880	20	30		GCEDMN
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1	ZINC001573290226	946900430	/nfs/dbraw/zinc/90/04/30/946900430.db2.gz	UNNITCJYKDVCHO-RISCZKNCSA-N	0	1	375.396	0.028	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573291445	946919205	/nfs/dbraw/zinc/91/92/05/946919205.db2.gz	CZSKHVNFHJPBJT-AWEZNQCLSA-N	0	1	375.396	0.432	20	30		GCEDMN
C#Cc1cncc(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573292347	946933537	/nfs/dbraw/zinc/93/35/37/946933537.db2.gz	UJIKQOPUDLBPDP-ZFWWWQNUSA-N	0	1	389.423	0.466	20	30		GCEDMN
C#Cc1cncc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1	ZINC001573292527	946935395	/nfs/dbraw/zinc/93/53/95/946935395.db2.gz	XFKYWDKASGMIHC-UHFFFAOYSA-N	0	1	375.396	0.075	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561828	946966694	/nfs/dbraw/zinc/96/66/94/946966694.db2.gz	NRLHQOXMYTYUJC-YPMHNXCESA-N	0	1	375.408	0.417	20	30		GCEDMN
C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC001573561828	946966704	/nfs/dbraw/zinc/96/67/04/946966704.db2.gz	NRLHQOXMYTYUJC-YPMHNXCESA-N	0	1	375.408	0.417	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573570792	947093885	/nfs/dbraw/zinc/09/38/85/947093885.db2.gz	UFOQYQRJUYZRQU-SFYZADRCSA-N	0	1	382.837	0.776	20	30		GCEDMN
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1	ZINC001573570793	947094419	/nfs/dbraw/zinc/09/44/19/947094419.db2.gz	UFOQYQRJUYZRQU-YUMQZZPRSA-N	0	1	382.837	0.776	20	30		GCEDMN
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1	ZINC001573583029	947198654	/nfs/dbraw/zinc/19/86/54/947198654.db2.gz	IJQTXCPYGQNWNG-HTQZYQBOSA-N	0	1	382.837	0.458	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC001573583112	947199758	/nfs/dbraw/zinc/19/97/58/947199758.db2.gz	JMNGXIIJFMRNPD-LBPRGKRZSA-N	0	1	388.501	0.758	20	30		GCEDMN
C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC001573583112	947199764	/nfs/dbraw/zinc/19/97/64/947199764.db2.gz	JMNGXIIJFMRNPD-LBPRGKRZSA-N	0	1	388.501	0.758	20	30		GCEDMN
C=C[C@](C)(O)CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1	ZINC001573309739	947208391	/nfs/dbraw/zinc/20/83/91/947208391.db2.gz	NVLQVXAMQQLJHE-ZWKOTPCHSA-N	0	1	384.444	0.413	20	30		GCEDMN
C[C@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1	ZINC001573583688	947208722	/nfs/dbraw/zinc/20/87/22/947208722.db2.gz	NYCVWDVRMTZSOW-HIFRSBDPSA-N	0	1	391.439	0.768	20	30		GCEDMN
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1	ZINC001573584548	947226793	/nfs/dbraw/zinc/22/67/93/947226793.db2.gz	XXNVPGZWAWMGDB-YUMQZZPRSA-N	0	1	382.837	0.458	20	30		GCEDMN
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1c1ccccc1	ZINC001573585710	947265982	/nfs/dbraw/zinc/26/59/82/947265982.db2.gz	VIQLCICEQUUYBK-AEGPPILISA-N	0	1	389.423	0.905	20	30		GCEDMN
C=CCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O	ZINC001573328002	947401613	/nfs/dbraw/zinc/40/16/13/947401613.db2.gz	PMBWMTMKPJKHQV-RKDXNWHRSA-N	0	1	383.865	0.999	20	30		GCEDMN
C=CCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O	ZINC001573327998	947401930	/nfs/dbraw/zinc/40/19/30/947401930.db2.gz	PMBWMTMKPJKHQV-BDAKNGLRSA-N	0	1	383.865	0.999	20	30		GCEDMN
C=CCCCN1CC(N2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1	ZINC001573334898	947466872	/nfs/dbraw/zinc/46/68/72/947466872.db2.gz	JFTFZYNALBJWHU-CYBMUJFWSA-N	0	1	384.444	0.176	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1	ZINC001573350966	947605132	/nfs/dbraw/zinc/60/51/32/947605132.db2.gz	MJJFIVSUFYANTJ-CPUCHLNUSA-N	0	1	383.456	0.844	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001573350947	947605673	/nfs/dbraw/zinc/60/56/73/947605673.db2.gz	LUZCOVOGQHDNOH-MCIONIFRSA-N	0	1	384.444	0.675	20	30		GCEDMN
C[C@@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[nH]n2)n1	ZINC001573643101	947864055	/nfs/dbraw/zinc/86/40/55/947864055.db2.gz	UEMMXSMKDGCUQX-FZMZJTMJSA-N	0	1	379.384	0.491	20	30		GCEDMN
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1	ZINC001575510961	949123429	/nfs/dbraw/zinc/12/34/29/949123429.db2.gz	INXGRWUKPQSZJY-SECBINFHSA-N	0	1	385.413	0.373	20	30		GCEDMN
C[C@@H](NC(=O)CSCC#N)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1	ZINC001575283317	949867434	/nfs/dbraw/zinc/86/74/34/949867434.db2.gz	OGSQLIJPOCZEGM-NEPJUHHUSA-N	0	1	387.473	0.635	20	30		GCEDMN
C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001575886586	949887603	/nfs/dbraw/zinc/88/76/03/949887603.db2.gz	MYPYRQYKSCLMMF-JQWIXIFHSA-N	0	1	378.400	0.644	20	30		GCEDMN
CC(C)(C)OC(=O)N1CCO[C@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1	ZINC001573857040	950398890	/nfs/dbraw/zinc/39/88/90/950398890.db2.gz	LIUIIUOZQCJMMN-SNVBAGLBSA-N	0	1	387.404	0.576	20	30		GCEDMN
CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1ccncc1-c1nn[nH]n1	ZINC001571124425	952538988	/nfs/dbraw/zinc/53/89/88/952538988.db2.gz	IRICGTPSHJZKPU-OAHLLOKOSA-N	0	1	377.412	0.846	20	30		GCEDMN
C[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC001571124544	952540326	/nfs/dbraw/zinc/54/03/26/952540326.db2.gz	MIBBTEXIKAEKNZ-DGCLKSJQSA-N	0	1	377.412	0.964	20	30		GCEDMN
C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1ccnc(-c2nn[nH]n2)n1	ZINC001571135800	952609151	/nfs/dbraw/zinc/60/91/51/952609151.db2.gz	DXWIOAUZUVUICO-PWSUYJOCSA-N	0	1	378.400	0.644	20	30		GCEDMN
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001571136439	952613816	/nfs/dbraw/zinc/61/38/16/952613816.db2.gz	QIIFOEINLVJIPY-ZYHUDNBSSA-N	0	1	378.400	0.099	20	30		GCEDMN
C[C@H](C#N)C(=O)N1CCC([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1	ZINC001571179892	952856844	/nfs/dbraw/zinc/85/68/44/952856844.db2.gz	JLSWWJAEIWJSKG-OCCSQVGLSA-N	0	1	381.444	0.881	20	30		GCEDMN
C#CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC001588408224	958106344	/nfs/dbraw/zinc/10/63/44/958106344.db2.gz	BQWYZWJJEMKGPJ-UHFFFAOYSA-N	0	1	382.461	0.659	20	30		GCEDMN
C=CCOC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC001573368434	963079553	/nfs/dbraw/zinc/07/95/53/963079553.db2.gz	DZVKLPPHHOWLLO-CQSZACIVSA-N	0	1	385.461	0.701	20	30		GCEDMN
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)CC2)o1	ZINC001605398200	973379747	/nfs/dbraw/zinc/37/97/47/973379747.db2.gz	DSDOKQVQAQNJED-GXTWGEPZSA-N	0	1	375.429	0.546	20	30		GCEDMN
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)c1	ZINC000530143060	974354378	/nfs/dbraw/zinc/35/43/78/974354378.db2.gz	PEDBZDDEXITZLE-UHFFFAOYSA-N	0	1	395.481	0.772	20	30		GCEDMN
C#CCOc1ccccc1CNC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588504002	983546258	/nfs/dbraw/zinc/54/62/58/983546258.db2.gz	CVSKKWQDJRXSFS-HXUWFJFHSA-N	0	1	387.436	0.770	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cc1	ZINC001588847873	984367351	/nfs/dbraw/zinc/36/73/51/984367351.db2.gz	PYVURWIHOYWNEW-CQSZACIVSA-N	0	1	381.454	0.239	20	30		GCEDMN
C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588909817	984545906	/nfs/dbraw/zinc/54/59/06/984545906.db2.gz	AZBBHLGMEHOWFW-MCIONIFRSA-N	0	1	377.445	0.583	20	30		GCEDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001594514612	985846029	/nfs/dbraw/zinc/84/60/29/985846029.db2.gz	ZKRKUTSEZGYGLV-GOEBONIOSA-N	0	1	384.436	0.919	20	30		GCEDMN
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)cc1	ZINC001589334382	986200883	/nfs/dbraw/zinc/20/08/83/986200883.db2.gz	CHWAORABQDHEFG-QWHCGFSZSA-N	0	1	394.453	0.852	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@H]2C(=O)[O-]	ZINC001589946596	988734059	/nfs/dbraw/zinc/73/40/59/988734059.db2.gz	ARYQGZNDNFJMHO-ZDUSSCGKSA-N	0	1	392.456	0.802	20	30		GCEDMN
CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@H]2C(=O)[O-]	ZINC001589946596	988734067	/nfs/dbraw/zinc/73/40/67/988734067.db2.gz	ARYQGZNDNFJMHO-ZDUSSCGKSA-N	0	1	392.456	0.802	20	30		GCEDMN
C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)[O-])C2)C1	ZINC001598585889	993382031	/nfs/dbraw/zinc/38/20/31/993382031.db2.gz	KEAYIHDAHFFTOQ-OXJNMPFZSA-N	0	1	396.451	0.794	20	30		GCEDMN
COC(=O)CC1([NH2+]Cc2cccc(C(=O)[O-])c2C#N)CCS(=O)(=O)CC1	ZINC001598843833	996547695	/nfs/dbraw/zinc/54/76/95/996547695.db2.gz	OVWSWBXWFJPJBC-UHFFFAOYSA-N	0	1	380.422	0.857	20	30		GCEDMN
COC[C@@]1(C(=O)[O-])CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001599188807	997082721	/nfs/dbraw/zinc/08/27/21/997082721.db2.gz	SYAADKSCXIPPFA-VQIMIIECSA-N	0	1	380.489	0.634	20	30		GCEDMN
COC[C@@]1(C(=O)[O-])CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001599188807	997082733	/nfs/dbraw/zinc/08/27/33/997082733.db2.gz	SYAADKSCXIPPFA-VQIMIIECSA-N	0	1	380.489	0.634	20	30		GCEDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N	ZINC000518396456	530228104	/nfs/dbraw/zinc/22/81/04/530228104.db2.gz	FVCHXFAKHNULME-ZDUSSCGKSA-N	0	1	386.499	0.251	20	30		GCEDMN
N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2nc(SCCO)n[nH]2)cc1	ZINC000268761188	530232031	/nfs/dbraw/zinc/23/20/31/530232031.db2.gz	VMTSDEVSIPBZCN-UHFFFAOYSA-N	0	1	381.439	0.314	20	30		GCEDMN
CCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1	ZINC000570827345	530325953	/nfs/dbraw/zinc/32/59/53/530325953.db2.gz	QVSPYZNEZJHJGR-UHFFFAOYSA-N	0	1	388.515	0.451	20	30		GCEDMN
CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1	ZINC000594629583	530433356	/nfs/dbraw/zinc/43/33/56/530433356.db2.gz	DWKCYAKQXIWGGI-ZDUSSCGKSA-N	0	1	388.515	0.449	20	30		GCEDMN
CCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1	ZINC000594631202	530433893	/nfs/dbraw/zinc/43/38/93/530433893.db2.gz	XUZZBPOYBIMBQT-UHFFFAOYSA-N	0	1	388.515	0.497	20	30		GCEDMN
CC[C@H](C#N)S(=O)(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000416935578	530515621	/nfs/dbraw/zinc/51/56/21/530515621.db2.gz	AXCNIKNRGWMUCC-GFCCVEGCSA-N	0	1	391.446	0.890	20	30		GCEDMN
C=CCN(CC=C)S(=O)(=O)CCCCS(=O)(=O)Nc1ccn(C)n1	ZINC000294544784	530568112	/nfs/dbraw/zinc/56/81/12/530568112.db2.gz	DESMROIBKCQSKH-UHFFFAOYSA-N	0	1	376.504	0.946	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)N(C)C	ZINC000573507293	530581150	/nfs/dbraw/zinc/58/11/50/530581150.db2.gz	XLRJXUMDXONVLD-STQMWFEESA-N	0	1	388.515	0.448	20	30		GCEDMN
CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(C)C)cc1	ZINC000574702996	530593818	/nfs/dbraw/zinc/59/38/18/530593818.db2.gz	DHCPLRBAUJUZKP-ZDUSSCGKSA-N	0	1	388.515	0.449	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](C)S(=O)(=O)CC2)C1	ZINC000330259057	530630338	/nfs/dbraw/zinc/63/03/38/530630338.db2.gz	RUSGRCGXFFYSKS-HZPDHXFCSA-N	0	1	375.535	0.809	20	30		GCEDMN
Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)c1C	ZINC000349514033	530667703	/nfs/dbraw/zinc/66/77/03/530667703.db2.gz	CVGRIJZTZVLMEY-SNVBAGLBSA-N	0	1	377.492	0.580	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000510754631	530819057	/nfs/dbraw/zinc/81/90/57/530819057.db2.gz	VQXXFDGRSBTLPZ-JKSUJKDBSA-N	0	1	385.511	0.782	20	30		GCEDMN
CN(C)[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@H]1O	ZINC000601415509	530824102	/nfs/dbraw/zinc/82/41/02/530824102.db2.gz	GJZXLLIVQBBMCR-RYUDHWBXSA-N	0	1	392.250	0.755	20	30		GCEDMN
COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(NS(N)(=O)=O)c1	ZINC000463528188	530905537	/nfs/dbraw/zinc/90/55/37/530905537.db2.gz	VWZUFQAFZVZNGT-UHFFFAOYSA-N	0	1	382.423	0.983	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](F)C1	ZINC000349498666	530882539	/nfs/dbraw/zinc/88/25/39/530882539.db2.gz	CWZVTPWPKRBIIO-LBPRGKRZSA-N	0	1	393.466	0.280	20	30		GCEDMN
COc1ccc(C)nc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1	ZINC000349508651	530885523	/nfs/dbraw/zinc/88/55/23/530885523.db2.gz	XENNANZUYFMCSA-UHFFFAOYSA-N	0	1	388.471	0.316	20	30		GCEDMN
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467153681	530914541	/nfs/dbraw/zinc/91/45/41/530914541.db2.gz	VTGTYQLADWLLNI-GXFFZTMASA-N	0	1	393.437	0.833	20	30		GCEDMN
CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467136387	530914678	/nfs/dbraw/zinc/91/46/78/530914678.db2.gz	ABRDAXGVNOWSMC-UHFFFAOYSA-N	0	1	381.426	0.786	20	30		GCEDMN
CN(C)CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1	ZINC000517391713	530960539	/nfs/dbraw/zinc/96/05/39/530960539.db2.gz	WDVVMXCZCGBLGY-UHFFFAOYSA-N	0	1	388.515	0.449	20	30		GCEDMN
COCCN(CCC#N)S(=O)(=O)NCC(F)(F)c1cccc(OC)n1	ZINC000511383067	530936668	/nfs/dbraw/zinc/93/66/68/530936668.db2.gz	MNINYYWPDATUDM-UHFFFAOYSA-N	0	1	378.401	0.878	20	30		GCEDMN
CN(C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000499111033	530941738	/nfs/dbraw/zinc/94/17/38/530941738.db2.gz	RENMTOYRCYMPJI-HNNXBMFYSA-N	0	1	385.511	0.688	20	30		GCEDMN
CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(C)C)cc1	ZINC000565373451	531184938	/nfs/dbraw/zinc/18/49/38/531184938.db2.gz	WBSSAPOSTYXDBI-STQMWFEESA-N	0	1	388.515	0.495	20	30		GCEDMN
CN(CC#N)CC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000736780328	598524137	/nfs/dbraw/zinc/52/41/37/598524137.db2.gz	QMTKXOWDESVHSA-UHFFFAOYSA-N	0	1	397.399	0.219	20	30		GCEDMN
N#CC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCOCC1	ZINC000737677014	598582202	/nfs/dbraw/zinc/58/22/02/598582202.db2.gz	YPHYSBVLMABZGP-UHFFFAOYSA-N	0	1	398.427	0.701	20	30		GCEDMN
Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(CC#N)C3CCCC3)CC2)o1	ZINC000737468002	599589743	/nfs/dbraw/zinc/58/97/43/599589743.db2.gz	VOJJUNOWNRVHEJ-UHFFFAOYSA-N	0	1	399.459	0.580	20	30		GCEDMN
N#Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)[nH]1	ZINC000826384175	607696888	/nfs/dbraw/zinc/69/68/88/607696888.db2.gz	KBLLDIINMQBBBX-UHFFFAOYSA-N	0	1	379.384	0.894	20	30		GCEDMN
C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=O	ZINC000833379942	604862744	/nfs/dbraw/zinc/86/27/44/604862744.db2.gz	QTKXEVCGCOEJPX-CQSZACIVSA-N	0	1	392.456	0.324	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)CC1	ZINC000833466715	605042075	/nfs/dbraw/zinc/04/20/75/605042075.db2.gz	MHHBUYSANHHBSX-SJORKVTESA-N	0	1	380.489	0.634	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)cc1	ZINC000833364348	605104308	/nfs/dbraw/zinc/10/43/08/605104308.db2.gz	PETNLCURBLPZLL-CQSZACIVSA-N	0	1	393.465	0.219	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)CC1	ZINC000833466461	605193113	/nfs/dbraw/zinc/19/31/13/605193113.db2.gz	GNIXXQQXDYKUNU-IRXDYDNUSA-N	0	1	379.505	0.160	20	30		GCEDMN
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819875660	606699543	/nfs/dbraw/zinc/69/95/43/606699543.db2.gz	BEMNZXCXISBXEL-LLVKDONJSA-N	0	1	394.443	0.935	20	30		GCEDMN
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000819875660	606699545	/nfs/dbraw/zinc/69/95/45/606699545.db2.gz	BEMNZXCXISBXEL-LLVKDONJSA-N	0	1	394.443	0.935	20	30		GCEDMN
CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000821601774	606700715	/nfs/dbraw/zinc/70/07/15/606700715.db2.gz	YSWUEODAVUUNIH-UHFFFAOYSA-N	0	1	380.416	0.547	20	30		GCEDMN
C=CCN1C(=O)N=NC1SCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819764574	607120400	/nfs/dbraw/zinc/12/04/00/607120400.db2.gz	JYLVXKVXZXCJCM-UHFFFAOYSA-N	0	1	393.454	0.916	20	30		GCEDMN
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)CC1(O)CCS(=O)(=O)CC1	ZINC000819745647	607213186	/nfs/dbraw/zinc/21/31/86/607213186.db2.gz	NODQQUTUTHJLJP-UHFFFAOYSA-N	0	1	377.470	0.794	20	30		GCEDMN
N#C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1	ZINC000822801662	607216387	/nfs/dbraw/zinc/21/63/87/607216387.db2.gz	LSBXYEALVKMGHF-SNVBAGLBSA-N	0	1	377.290	0.858	20	30		GCEDMN
C=CCN1C(=O)N=NC1SCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823937178	607816498	/nfs/dbraw/zinc/81/64/98/607816498.db2.gz	LDIBKGFYAHRVGQ-UHFFFAOYSA-N	0	1	393.454	0.916	20	30		GCEDMN
C#CCNC(=S)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000823850959	607966206	/nfs/dbraw/zinc/96/62/06/607966206.db2.gz	WMVZEPVXNWJKIG-UHFFFAOYSA-N	0	1	384.425	0.744	20	30		GCEDMN
COc1cccc2sc(NC(=O)Cn3c(N)nc(-c4nn[nH]n4)c3C#N)nc21	ZINC000826217882	609174215	/nfs/dbraw/zinc/17/42/15/609174215.db2.gz	GRKKDQQKTVQDPX-UHFFFAOYSA-N	0	1	396.396	0.774	20	30		GCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1nc(CN2CCCC2)cs1	ZINC000826382890	609176516	/nfs/dbraw/zinc/17/65/16/609176516.db2.gz	ZHXUKYKCSLFDKK-UHFFFAOYSA-N	0	1	399.444	0.208	20	30		GCEDMN
N#Cc1c(F)cccc1-n1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1	ZINC000826383234	609313630	/nfs/dbraw/zinc/31/36/30/609313630.db2.gz	QLWKCLIDMLXQGJ-UHFFFAOYSA-N	0	1	379.319	0.293	20	30		GCEDMN
Cc1c(Br)c(C)n(NC(=O)C2CN([C@H]3CCOC3)C2)c(=O)c1C#N	ZINC000897598365	639196878	/nfs/dbraw/zinc/19/68/78/639196878.db2.gz	RZJQBAPGOWKCGV-LBPRGKRZSA-N	0	1	395.257	0.890	20	30		GCEDMN
CSc1n[nH]c(NC(=O)C[C@H](C)N=C2NS(=O)(=O)c3ccccc32)n1	ZINC000742602745	640247727	/nfs/dbraw/zinc/24/77/27/640247727.db2.gz	WUOBFVRUDDSBFT-QMMMGPOBSA-N	0	1	380.455	0.982	20	30		GCEDMN
CNS(=O)(=O)c1cc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)co1	ZINC000756404910	640490398	/nfs/dbraw/zinc/49/03/98/640490398.db2.gz	OINBNVYKQWLNQD-JTQLQIEISA-N	0	1	383.407	0.986	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCc3ccc(Cl)cc32)c(=O)n(C)c1=O	ZINC000762453158	640607698	/nfs/dbraw/zinc/60/76/98/640607698.db2.gz	SOTZPOBOFQXQGJ-UHFFFAOYSA-N	0	1	382.829	0.366	20	30		GCEDMN
C[C@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1	ZINC000763369323	640626695	/nfs/dbraw/zinc/62/66/95/640626695.db2.gz	FQVRYEGXJUVMBD-SNVBAGLBSA-N	0	1	384.845	0.805	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1csc(C(C)C)n1	ZINC000768783376	640759598	/nfs/dbraw/zinc/75/95/98/640759598.db2.gz	DVLGOIOIJREMMW-UHFFFAOYSA-N	0	1	385.471	0.366	20	30		GCEDMN
CSCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000771892399	640835286	/nfs/dbraw/zinc/83/52/86/640835286.db2.gz	RHZOXSCOWDAXLB-UHFFFAOYSA-N	0	1	382.467	0.130	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O	ZINC000771889803	640835318	/nfs/dbraw/zinc/83/53/18/640835318.db2.gz	BNCZTVFAUCWXQT-UHFFFAOYSA-N	0	1	391.236	0.703	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)s1	ZINC000771888539	640835423	/nfs/dbraw/zinc/83/54/23/640835423.db2.gz	DKVWTMHZVURGQU-UHFFFAOYSA-N	0	1	376.847	0.501	20	30		GCEDMN
CC(Cc1ccc(Cl)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000773208838	640859886	/nfs/dbraw/zinc/85/98/86/640859886.db2.gz	QTMJYURYGQKXGM-UHFFFAOYSA-N	0	1	384.845	0.634	20	30		GCEDMN
C#CCN1CCN(C(=O)CN[C@@H](CO)c2ccc(Br)cc2)CC1	ZINC000782076387	641243005	/nfs/dbraw/zinc/24/30/05/641243005.db2.gz	ZPYGZOOJTKHEKB-INIZCTEOSA-N	0	1	380.286	0.850	20	30		GCEDMN
CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC000881825926	641656980	/nfs/dbraw/zinc/65/69/80/641656980.db2.gz	QIXOWQCCJDDICQ-XMMPIXPASA-N	0	1	387.531	0.741	20	30		GCEDMN
CC(C)NS(=O)(=O)c1ccc(=NNS(=O)(=O)c2ccc(C#N)o2)[nH]c1	ZINC000808075593	641679832	/nfs/dbraw/zinc/67/98/32/641679832.db2.gz	SUFDMTXGGJMASQ-UHFFFAOYSA-N	0	1	385.427	0.538	20	30		GCEDMN
N#C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(Br)c1	ZINC000822801994	642017783	/nfs/dbraw/zinc/01/77/83/642017783.db2.gz	SWLKBSRXJDCRML-SNVBAGLBSA-N	0	1	388.189	0.602	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000834495715	642213563	/nfs/dbraw/zinc/21/35/63/642213563.db2.gz	YJXZFPIBHXBPRK-JOYOIKCWSA-N	0	1	376.360	0.211	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1	ZINC000834500623	642213600	/nfs/dbraw/zinc/21/36/00/642213600.db2.gz	VHNJTBILWINUMQ-YPMHNXCESA-N	0	1	386.271	0.592	20	30		GCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000834506182	642213832	/nfs/dbraw/zinc/21/38/32/642213832.db2.gz	QGWHUDGZSISLIY-TZMCWYRMSA-N	0	1	382.873	0.966	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000834521950	642214550	/nfs/dbraw/zinc/21/45/50/642214550.db2.gz	ZWDHMQXFYIIKGS-TVQRCGJNSA-N	0	1	376.214	0.387	20	30		GCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O	ZINC000834515609	642214667	/nfs/dbraw/zinc/21/46/67/642214667.db2.gz	ACORUYMXQOPDTK-YGRLFVJLSA-N	0	1	390.241	0.777	20	30		GCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1	ZINC000841258390	642293060	/nfs/dbraw/zinc/29/30/60/642293060.db2.gz	LARFQYMEKOVCSC-CMPLNLGQSA-N	0	1	395.261	0.914	20	30		GCEDMN
CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cncc(Cl)n2)C1	ZINC000848959015	642574672	/nfs/dbraw/zinc/57/46/72/642574672.db2.gz	TWSULIJTQKRINW-UHFFFAOYSA-N	0	1	393.878	0.437	20	30		GCEDMN
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]cc1SC	ZINC000848960567	642582210	/nfs/dbraw/zinc/58/22/10/642582210.db2.gz	JKPXEDVPTYMUTF-UHFFFAOYSA-N	0	1	394.544	0.937	20	30		GCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1OC	ZINC000848960655	642582543	/nfs/dbraw/zinc/58/25/43/642582543.db2.gz	FYQMCNQTBZIMKB-GFCCVEGCSA-N	0	1	375.472	0.505	20	30		GCEDMN
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1	ZINC000848961636	642586723	/nfs/dbraw/zinc/58/67/23/642586723.db2.gz	HOOOFQHTMUBGFA-CYBMUJFWSA-N	0	1	390.487	0.288	20	30		GCEDMN
C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccnc(C)c1)C(C)(C)C	ZINC000848962189	642588483	/nfs/dbraw/zinc/58/84/83/642588483.db2.gz	NDOZPZDTNZBBNU-OAHLLOKOSA-N	0	1	387.527	0.911	20	30		GCEDMN
C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccnc(C)c1)C(C)(C)C	ZINC000848962188	642588624	/nfs/dbraw/zinc/58/86/24/642588624.db2.gz	NDOZPZDTNZBBNU-HNNXBMFYSA-N	0	1	387.527	0.911	20	30		GCEDMN
C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C)C(C)C	ZINC000848963650	642595470	/nfs/dbraw/zinc/59/54/70/642595470.db2.gz	YBCCGSPYJCTJET-ZDUSSCGKSA-N	0	1	376.504	0.736	20	30		GCEDMN
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc(C)ccc1OC	ZINC000848964911	642601710	/nfs/dbraw/zinc/60/17/10/642601710.db2.gz	GJUKAWDAXGKZJU-NSHDSACASA-N	0	1	375.472	0.472	20	30		GCEDMN
CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1C=CCC1	ZINC000852904659	642778293	/nfs/dbraw/zinc/77/82/93/642778293.db2.gz	NVGSXZZZBHPGOV-CYBMUJFWSA-N	0	1	387.487	0.544	20	30		GCEDMN
C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(OC)c1	ZINC000279122328	1192469545	/nfs/dbraw/zinc/46/95/45/1192469545.db2.gz	UWGFCKXWOUJDIJ-YWZLYKJASA-N	0	1	389.452	0.837	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1	ZINC000418854774	1192668745	/nfs/dbraw/zinc/66/87/45/1192668745.db2.gz	LJTKTANACCQSRP-HNNXBMFYSA-N	0	1	387.459	0.993	20	30		GCEDMN
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1	ZINC000410984394	1192923245	/nfs/dbraw/zinc/92/32/45/1192923245.db2.gz	RBMVSQZUSHRXJL-VQIMIIECSA-N	0	1	399.470	0.899	20	30		GCEDMN
CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1	ZINC000410984394	1192923246	/nfs/dbraw/zinc/92/32/46/1192923246.db2.gz	RBMVSQZUSHRXJL-VQIMIIECSA-N	0	1	399.470	0.899	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)NCc1n[nH]c(COc2ccccc2)n1	ZINC000274511660	1184082707	/nfs/dbraw/zinc/08/27/07/1184082707.db2.gz	LFEXJBPHCOCBNE-UHFFFAOYSA-N	0	1	379.442	0.784	20	30		GCEDMN
CN(CCCN1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157714885	1184340839	/nfs/dbraw/zinc/34/08/39/1184340839.db2.gz	QVTJZMPAOZPUJO-UHFFFAOYSA-N	0	1	381.458	0.724	20	30		GCEDMN
CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H](C)O	ZINC000510147523	1184463695	/nfs/dbraw/zinc/46/36/95/1184463695.db2.gz	ZQWPRBUEZLWSPG-HNNXBMFYSA-N	0	1	394.497	0.094	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1	ZINC000430418791	1184702271	/nfs/dbraw/zinc/70/22/71/1184702271.db2.gz	QDFZQLPLOUEVQJ-MSOLQXFVSA-N	0	1	379.501	0.655	20	30		GCEDMN
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1	ZINC000561003485	1185072371	/nfs/dbraw/zinc/07/23/71/1185072371.db2.gz	JSKZTFZTYKVEDR-HNNXBMFYSA-N	0	1	399.451	0.176	20	30		GCEDMN
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCCOCC1	ZINC000275874797	1185212215	/nfs/dbraw/zinc/21/22/15/1185212215.db2.gz	OXOGIRWEANZYQV-AWEZNQCLSA-N	0	1	380.470	0.064	20	30		GCEDMN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1	ZINC000262147291	1185384023	/nfs/dbraw/zinc/38/40/23/1185384023.db2.gz	YNUCDRPIDILRPH-OAHLLOKOSA-N	0	1	392.481	0.399	20	30		GCEDMN
Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C)N1CCOCC1	ZINC001707891843	1185497261	/nfs/dbraw/zinc/49/72/61/1185497261.db2.gz	DGXOZQSSLMYJFP-CYBMUJFWSA-N	0	1	383.456	0.842	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](C(C)C)N1CCOCC1)c1ccn[nH]1	ZINC000276488220	1185838740	/nfs/dbraw/zinc/83/87/40/1185838740.db2.gz	GCNMQYKZHSRXPL-HDHZYAPQSA-N	0	1	395.460	0.167	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCNC(=O)OC(C)(C)C)c1ccn[nH]1	ZINC000276506544	1185849112	/nfs/dbraw/zinc/84/91/12/1185849112.db2.gz	AKBLTHNYUIGHBM-FYJGNVAPSA-N	0	1	383.405	0.334	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC(c2nncn2C)CC1)c1cc[nH]n1	ZINC000276586353	1185917031	/nfs/dbraw/zinc/91/70/31/1185917031.db2.gz	MHMLEIPWSAMGGL-PXLXIMEGSA-N	0	1	389.416	0.228	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccn[nH]1	ZINC000276644133	1185933734	/nfs/dbraw/zinc/93/37/34/1185933734.db2.gz	VLUREDNIBIWJMC-MIIVRJSTSA-N	0	1	386.412	0.484	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1ccccc1)c1ccn[nH]1	ZINC000276654499	1185935585	/nfs/dbraw/zinc/93/55/85/1185935585.db2.gz	XEBYVNQRAFHBSE-QIIGAIICSA-N	0	1	388.380	0.724	20	30		GCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21	ZINC000728369231	1185937968	/nfs/dbraw/zinc/93/79/68/1185937968.db2.gz	PQWDTNXERZYOKX-GHMZBOCLSA-N	0	1	387.396	0.625	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCC(=O)Nc1ccncc1)c1ccn[nH]1	ZINC000276674442	1185950067	/nfs/dbraw/zinc/95/00/67/1185950067.db2.gz	ZQQWOQHRQXUTQM-XQNSMLJCSA-N	0	1	388.384	0.234	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(=O)OCc1ccccc1)c1ccn[nH]1	ZINC000276718707	1185986096	/nfs/dbraw/zinc/98/60/96/1185986096.db2.gz	RWTXWNWDRKDVJY-OQKWZONESA-N	0	1	388.380	0.553	20	30		GCEDMN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCCN3CCC[C@@H]3C(N)=O)C2)n1	ZINC000471955221	1186162263	/nfs/dbraw/zinc/16/22/63/1186162263.db2.gz	WSBQGYCJQFMUFY-ZWKOTPCHSA-N	0	1	398.511	0.934	20	30		GCEDMN
CS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000610967913	1186267865	/nfs/dbraw/zinc/26/78/65/1186267865.db2.gz	XFEKAMBOKPGRJZ-SJORKVTESA-N	0	1	381.498	0.754	20	30		GCEDMN
Cn1cc(C(=O)NCC2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)cn1	ZINC000563154722	1186313128	/nfs/dbraw/zinc/31/31/28/1186313128.db2.gz	UNJJHAUMRSXYIA-UHFFFAOYSA-N	0	1	378.440	0.976	20	30		GCEDMN
COCCO[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000536375238	1186328509	/nfs/dbraw/zinc/32/85/09/1186328509.db2.gz	SHEOPLFYVUNYMF-INIZCTEOSA-N	0	1	391.472	0.631	20	30		GCEDMN
C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CN1CCN(C)CC1	ZINC000511030678	1186333926	/nfs/dbraw/zinc/33/39/26/1186333926.db2.gz	OKMWHRZFJOSORL-INIZCTEOSA-N	0	1	392.525	0.473	20	30		GCEDMN
C[C@H](CCN1CCN(C)CC1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000472083480	1186335465	/nfs/dbraw/zinc/33/54/65/1186335465.db2.gz	DTUIJOGSBBCKTO-MRXNPFEDSA-N	0	1	392.525	0.615	20	30		GCEDMN
Cc1nn(C)c(N2CCN(C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000472154599	1186401161	/nfs/dbraw/zinc/40/11/61/1186401161.db2.gz	KGSBRXNEGZMCMI-HLLBOEOZSA-N	0	1	376.505	0.192	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)c1ccn[nH]1	ZINC000278084546	1186772842	/nfs/dbraw/zinc/77/28/42/1186772842.db2.gz	XMVZZKOQARYYKE-AIIKTIQNSA-N	0	1	393.444	0.599	20	30		GCEDMN
N#CCc1ccc(CS(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1	ZINC000583141068	1186780361	/nfs/dbraw/zinc/78/03/61/1186780361.db2.gz	HTFJCKXTQYNPKX-UHFFFAOYSA-N	0	1	394.541	0.562	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@]1(O)C[C@@H](OCC)C1(C)C)c1ccn[nH]1	ZINC000278108675	1186785794	/nfs/dbraw/zinc/78/57/94/1186785794.db2.gz	BTMZINRKBCOUFN-WGLFGWLRSA-N	0	1	396.444	0.376	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](CNC(C)=O)C1)c1cc[nH]n1	ZINC000278140360	1186799543	/nfs/dbraw/zinc/79/95/43/1186799543.db2.gz	NKWGGFHRVAZPJK-IQQDNESTSA-N	0	1	379.417	0.068	20	30		GCEDMN
C#CCOCCNC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1	ZINC000785165591	1186831541	/nfs/dbraw/zinc/83/15/41/1186831541.db2.gz	RNOSPELZPWTECF-UHFFFAOYSA-N	0	1	388.468	0.017	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1COc2ccccc2C1=O)c1ccn[nH]1	ZINC000278279195	1186868419	/nfs/dbraw/zinc/86/84/19/1186868419.db2.gz	BCKFOPODSXSXLO-GHOZOMOVSA-N	0	1	386.364	0.454	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](C(=O)OC)[C@H](C)C1)c1cc[nH]n1	ZINC000278328710	1186890360	/nfs/dbraw/zinc/89/03/60/1186890360.db2.gz	LTKKPMAKBGNQQQ-RKWYAUMPSA-N	0	1	380.401	0.351	20	30		GCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1	ZINC000329382069	1186928106	/nfs/dbraw/zinc/92/81/06/1186928106.db2.gz	QPPTUVGPAGSYCD-ZDUSSCGKSA-N	0	1	375.429	0.696	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N(CC(=O)OC)C1CCCC1)c1cc[nH]n1	ZINC000278426272	1186939622	/nfs/dbraw/zinc/93/96/22/1186939622.db2.gz	CUUBGSNMXPSALD-CAPFRKAQSA-N	0	1	380.401	0.638	20	30		GCEDMN
C[C@H]1CN(CCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1	ZINC000583841345	1186949668	/nfs/dbraw/zinc/94/96/68/1186949668.db2.gz	PIAUROQTMXZHPT-GJZGRUSLSA-N	0	1	394.497	0.452	20	30		GCEDMN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1	ZINC001023366721	1186950315	/nfs/dbraw/zinc/95/03/15/1186950315.db2.gz	WPRSIJWUJWMJRO-LHHMISFZSA-N	0	1	376.457	0.320	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC1([C@@H](C)CCO)CCC1)c1ccn[nH]1	ZINC000278453132	1186951132	/nfs/dbraw/zinc/95/11/32/1186951132.db2.gz	GMYRLCRAPVWNMU-UAHGDZPKSA-N	0	1	380.445	0.999	20	30		GCEDMN
O=C(CN1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1)NC1CC1	ZINC000329519482	1186955284	/nfs/dbraw/zinc/95/52/84/1186955284.db2.gz	QCAXRFBNQDXEFF-UHFFFAOYSA-N	0	1	377.470	0.745	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccn[nH]1	ZINC000278494989	1186960262	/nfs/dbraw/zinc/96/02/62/1186960262.db2.gz	KEGHJNSFEYCNFD-HDCLVBGFSA-N	0	1	396.469	0.864	20	30		GCEDMN
Cc1cc(NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)n(CCC#N)n1	ZINC000562374088	1186990590	/nfs/dbraw/zinc/99/05/90/1186990590.db2.gz	YUMQTVFUQOOOHQ-OAHLLOKOSA-N	0	1	388.472	0.755	20	30		GCEDMN
CNC(=O)NC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2	ZINC000584302455	1187029061	/nfs/dbraw/zinc/02/90/61/1187029061.db2.gz	DQONOSOGEWXXTQ-UHFFFAOYSA-N	0	1	379.420	0.734	20	30		GCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)N[C@H]1CCOc2ccccc21	ZINC000584306765	1187029365	/nfs/dbraw/zinc/02/93/65/1187029365.db2.gz	ZKUPAGGFVQMEPA-LBPRGKRZSA-N	0	1	378.410	0.583	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCCC2)C1	ZINC001023847864	1187157480	/nfs/dbraw/zinc/15/74/80/1187157480.db2.gz	QSRSHSBERWVUCD-TVFCKZIOSA-N	0	1	393.528	0.920	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1O	ZINC001023942991	1187181442	/nfs/dbraw/zinc/18/14/42/1187181442.db2.gz	YHFOVAAIJHCXOU-DXEWXGHRSA-N	0	1	385.424	0.241	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1O	ZINC001023942275	1187182634	/nfs/dbraw/zinc/18/26/34/1187182634.db2.gz	SEYPJNYRVVBKDQ-MLHJIOFPSA-N	0	1	384.436	0.617	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1O	ZINC001023958775	1187192897	/nfs/dbraw/zinc/19/28/97/1187192897.db2.gz	ULROUJZURQTCIX-MPESAESLSA-N	0	1	385.424	0.241	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3cncn3c2C)C1	ZINC001024462751	1187396883	/nfs/dbraw/zinc/39/68/83/1187396883.db2.gz	UQENVCZSBSRHLX-TVFCKZIOSA-N	0	1	384.436	0.535	20	30		GCEDMN
N#Cc1ncn(CCNC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)n1	ZINC000580851003	1187701155	/nfs/dbraw/zinc/70/11/55/1187701155.db2.gz	ZQQSJNVHOJKHCO-OAHLLOKOSA-N	0	1	384.444	0.297	20	30		GCEDMN
CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)N=c2ccn(Cc3ccncc3)[nH]2)[nH]1	ZINC000581314797	1187711676	/nfs/dbraw/zinc/71/16/76/1187711676.db2.gz	GHUQFDNZANNSBT-UHFFFAOYSA-N	0	1	392.423	0.571	20	30		GCEDMN
C=CCS(=O)(=O)CCNC(=O)NCc1cccnc1N1CCN(C)CC1	ZINC000376263997	1187732223	/nfs/dbraw/zinc/73/22/23/1187732223.db2.gz	FHHXOSMVKBRZRG-UHFFFAOYSA-N	0	1	381.502	0.233	20	30		GCEDMN
C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414210386	1187762896	/nfs/dbraw/zinc/76/28/96/1187762896.db2.gz	MSCREKFSAGQZMX-NSHDSACASA-N	0	1	377.426	0.749	20	30		GCEDMN
C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC	ZINC000414224026	1187771765	/nfs/dbraw/zinc/77/17/65/1187771765.db2.gz	QBILUAVTOXILJQ-GFCCVEGCSA-N	0	1	391.453	0.673	20	30		GCEDMN
CN(CC(=O)N1CCNCC1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000415333938	1188038955	/nfs/dbraw/zinc/03/89/55/1188038955.db2.gz	QPSCTQRAXIYUKM-UHFFFAOYSA-N	0	1	391.497	0.746	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN[C@@H](C)C2)cc1	ZINC000415427407	1188078119	/nfs/dbraw/zinc/07/81/19/1188078119.db2.gz	GDXAXHXZUSTHSW-ZDUSSCGKSA-N	0	1	380.470	0.252	20	30		GCEDMN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN[C@H](C)C2)cc1	ZINC000415427406	1188078364	/nfs/dbraw/zinc/07/83/64/1188078364.db2.gz	GDXAXHXZUSTHSW-CYBMUJFWSA-N	0	1	380.470	0.252	20	30		GCEDMN
C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1	ZINC000163831544	1189398947	/nfs/dbraw/zinc/39/89/47/1189398947.db2.gz	KQYWRELXIJDRMN-UHFFFAOYSA-N	0	1	395.463	0.983	20	30		GCEDMN
N#Cc1cncc(S(=O)(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1	ZINC000290503487	1189411832	/nfs/dbraw/zinc/41/18/32/1189411832.db2.gz	KXAMUIUQWOMIAZ-UHFFFAOYSA-N	0	1	392.462	0.989	20	30		GCEDMN
C#CCN1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@]45C[C@H]4COC5)[C@H]3C2)CC1	ZINC000975754283	1189971207	/nfs/dbraw/zinc/97/12/07/1189971207.db2.gz	INZUQTPUCXRFSA-FUOQNJDISA-N	0	1	385.508	0.818	20	30		GCEDMN
CCN1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1	ZINC000429926641	1193802591	/nfs/dbraw/zinc/80/25/91/1193802591.db2.gz	QIBJWKOPTQRWEW-UHFFFAOYSA-N	0	1	381.440	0.940	20	30		GCEDMN
CCOC(=O)CO/N=C(/C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)c1cc[nH]n1	ZINC000280474137	1193998869	/nfs/dbraw/zinc/99/88/69/1193998869.db2.gz	JJFFAWRGYYDHSJ-ISPGYRLHSA-N	0	1	394.428	0.490	20	30		GCEDMN
C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000280708874	1194015341	/nfs/dbraw/zinc/01/53/41/1194015341.db2.gz	JBFJKOGCWJVTRP-XLIONFOSSA-N	0	1	387.459	0.732	20	30		GCEDMN
C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)CN1	ZINC000419715055	1194091217	/nfs/dbraw/zinc/09/12/17/1194091217.db2.gz	AAPMIKHWYRWIRM-JCAIJIATSA-N	0	1	385.468	0.968	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1OCC	ZINC000983012975	1194295593	/nfs/dbraw/zinc/29/55/93/1194295593.db2.gz	LQYFUKNPIYAOHP-NRSFXHEJSA-N	0	1	390.484	0.913	20	30		GCEDMN
N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C[C@@]12C(=O)Nc1ccccc12	ZINC000423557057	1194763243	/nfs/dbraw/zinc/76/32/43/1194763243.db2.gz	HNXAWOMZYGGHCC-VKQVCWQJSA-N	0	1	393.447	0.211	20	30		GCEDMN
CC1(C)CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCN1	ZINC000423560745	1194764114	/nfs/dbraw/zinc/76/41/14/1194764114.db2.gz	LMEVFTXYROGXCP-RBZFPXEDSA-N	0	1	381.436	0.069	20	30		GCEDMN
C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H](C)CN1	ZINC000423642537	1194776895	/nfs/dbraw/zinc/77/68/95/1194776895.db2.gz	XDEBSYRQXDDZQB-CABCVRRESA-N	0	1	397.479	0.944	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2=NC(=O)N(C)C2)[C@H](OCC)C1	ZINC000983335341	1194925866	/nfs/dbraw/zinc/92/58/66/1194925866.db2.gz	HOCBWFCAANBEMU-LUYZLQTOSA-N	0	1	392.456	0.310	20	30		GCEDMN
CN(CC(=O)Nc1cc(-c2nccn2C)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000435717322	1194960234	/nfs/dbraw/zinc/96/02/34/1194960234.db2.gz	LTIKEVUJZHZJLA-UHFFFAOYSA-N	0	1	399.436	0.941	20	30		GCEDMN
C=CCn1cc(CNC(=O)NCCCCN2CCN(c3ncccn3)CC2)nn1	ZINC000425438215	1194979458	/nfs/dbraw/zinc/97/94/58/1194979458.db2.gz	CLYQCVWSYXQETM-UHFFFAOYSA-N	0	1	399.503	0.656	20	30		GCEDMN
COCC(C)(C)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000425507371	1194994984	/nfs/dbraw/zinc/99/49/84/1194994984.db2.gz	QHDLGBFHTKMOOJ-SFHVURJKSA-N	0	1	379.549	0.721	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OCC	ZINC000983372742	1195032714	/nfs/dbraw/zinc/03/27/14/1195032714.db2.gz	KQLDFXSQOCTJSU-XZKMEQPCSA-N	0	1	390.484	0.913	20	30		GCEDMN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1	ZINC000516346945	1195044516	/nfs/dbraw/zinc/04/45/16/1195044516.db2.gz	MCVBEIWYCRWLDT-INIZCTEOSA-N	0	1	388.472	0.295	20	30		GCEDMN
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2(C#N)CCN(C)CC2)cc1	ZINC000549990787	1195107090	/nfs/dbraw/zinc/10/70/90/1195107090.db2.gz	QPCVPGFVQVSPCG-UHFFFAOYSA-N	0	1	392.481	0.662	20	30		GCEDMN
COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](c2nc[nH]n2)C1	ZINC000425820921	1195122769	/nfs/dbraw/zinc/12/27/69/1195122769.db2.gz	PKWOCFWIYIATFF-ZDUSSCGKSA-N	0	1	384.396	0.656	20	30		GCEDMN
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCCN2CCC[C@@H]2C(N)=O)c1	ZINC000473583227	1195161894	/nfs/dbraw/zinc/16/18/94/1195161894.db2.gz	QDXHNICVZIBXJP-MSOLQXFVSA-N	0	1	397.479	0.505	20	30		GCEDMN
COCCCN1CC2(CN(C(=O)C(C#N)Cc3cccs3)C2)OCC1=O	ZINC001270291889	1195176800	/nfs/dbraw/zinc/17/68/00/1195176800.db2.gz	GXNZASFOLHQTKQ-CQSZACIVSA-N	0	1	377.466	0.907	20	30		GCEDMN
COCCCN1C(=O)COCC12CN(C(=O)C(C#N)Cc1cccs1)C2	ZINC001270292994	1195178078	/nfs/dbraw/zinc/17/80/78/1195178078.db2.gz	YJXCVKUZVFYIJE-CQSZACIVSA-N	0	1	377.466	0.907	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000518300452	1195276378	/nfs/dbraw/zinc/27/63/78/1195276378.db2.gz	QVHHVPVWRNZDRU-UHFFFAOYSA-N	0	1	377.426	0.890	20	30		GCEDMN
C=CCN1CC[C@@H](N(C)C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C1=O	ZINC000518474253	1195293774	/nfs/dbraw/zinc/29/37/74/1195293774.db2.gz	UEEWCDKOAPDGPY-MRXNPFEDSA-N	0	1	382.420	0.503	20	30		GCEDMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCO[C@H](C#N)C2)c([N+](=O)[O-])c1	ZINC000519273192	1195387721	/nfs/dbraw/zinc/38/77/21/1195387721.db2.gz	MSXUWJDPAHTAJJ-GFCCVEGCSA-N	0	1	383.430	0.163	20	30		GCEDMN
CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3c(=O)[n-]cc(C#N)c3=O)CC2)cc1	ZINC000519716479	1195566933	/nfs/dbraw/zinc/56/69/33/1195566933.db2.gz	SBLDEKIKOXLSPL-UHFFFAOYSA-N	0	1	395.463	0.876	20	30		GCEDMN
C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1nnc[nH]1	ZINC000441359210	1195625686	/nfs/dbraw/zinc/62/56/86/1195625686.db2.gz	QRFYTTMKBMPAQS-VIFPVBQESA-N	0	1	384.787	1.331	20	30		GCEDMN
CN(C)CCCN(C(=O)CNc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000164412034	1195633713	/nfs/dbraw/zinc/63/37/13/1195633713.db2.gz	ZLTXOVNULAGTNQ-QGZVFWFLSA-N	0	1	378.498	0.938	20	30		GCEDMN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000328723265	1195660184	/nfs/dbraw/zinc/66/01/84/1195660184.db2.gz	SIICSELBJRGFME-CYBMUJFWSA-N	0	1	382.490	0.397	20	30		GCEDMN
CC(C)[C@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)N1CCN(C)CC1	ZINC000328704276	1195662097	/nfs/dbraw/zinc/66/20/97/1195662097.db2.gz	YETPLNDZQNRJPB-HOTGVXAUSA-N	0	1	389.566	0.186	20	30		GCEDMN
CS(=O)(=O)N1CCC(CNC(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1	ZINC000328786880	1195667785	/nfs/dbraw/zinc/66/77/85/1195667785.db2.gz	WWADJYINNHDQJL-MRXNPFEDSA-N	0	1	388.534	0.226	20	30		GCEDMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000328921887	1195680271	/nfs/dbraw/zinc/68/02/71/1195680271.db2.gz	BVFOKBVHSCFHID-CVEARBPZSA-N	0	1	382.486	0.635	20	30		GCEDMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H]2CCN(C)C[C@H]21	ZINC000328921887	1195680274	/nfs/dbraw/zinc/68/02/74/1195680274.db2.gz	BVFOKBVHSCFHID-CVEARBPZSA-N	0	1	382.486	0.635	20	30		GCEDMN
CN1CC[C@@H]2OCCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1	ZINC000328995345	1195684868	/nfs/dbraw/zinc/68/48/68/1195684868.db2.gz	FHGJAMRSWNNHBZ-SJORKVTESA-N	0	1	396.513	0.238	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1	ZINC000330475795	1195689555	/nfs/dbraw/zinc/68/95/55/1195689555.db2.gz	JTCWYFBFRXBIGE-HZPDHXFCSA-N	0	1	390.550	0.518	20	30		GCEDMN
CC[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)CCN1CCOC	ZINC000330483931	1195690531	/nfs/dbraw/zinc/69/05/31/1195690531.db2.gz	WSTOJJJPULWFPN-MRXNPFEDSA-N	0	1	390.550	0.757	20	30		GCEDMN
COc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1S(=O)(=O)N(C)C	ZINC000330683273	1195702192	/nfs/dbraw/zinc/70/21/92/1195702192.db2.gz	RAUWTMNJJKLEFW-CQSZACIVSA-N	0	1	384.502	0.496	20	30		GCEDMN
CCN(C1CCN(C(=O)N[C@H](C)CN2CCN(C)CC2)CC1)S(C)(=O)=O	ZINC000330675031	1195703425	/nfs/dbraw/zinc/70/34/25/1195703425.db2.gz	RKEPMWRWCSGXEU-OAHLLOKOSA-N	0	1	389.566	0.282	20	30		GCEDMN
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CCN(CC(C)(C)O)CC2)c1	ZINC000330820756	1195709259	/nfs/dbraw/zinc/70/92/59/1195709259.db2.gz	HDGTXFWNJLIAAC-UHFFFAOYSA-N	0	1	384.502	0.837	20	30		GCEDMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOCC3(CCOCC3)C2)CC1	ZINC000184085514	1195816784	/nfs/dbraw/zinc/81/67/84/1195816784.db2.gz	VULWEDUACSNUBK-SFHVURJKSA-N	0	1	378.517	0.808	20	30		GCEDMN
COCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000521416171	1195995179	/nfs/dbraw/zinc/99/51/79/1195995179.db2.gz	IBSKBZZVSSGKIZ-UHFFFAOYSA-N	0	1	391.447	0.040	20	30		GCEDMN
C=CCN(C(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)[C@@H]1CCS(=O)(=O)C1	ZINC000521532241	1196000321	/nfs/dbraw/zinc/00/03/21/1196000321.db2.gz	WMQMSVRORJOZPB-QWHCGFSZSA-N	0	1	390.465	0.883	20	30		GCEDMN
C=CCNC(=O)NC(=O)CN[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442794841	1196004395	/nfs/dbraw/zinc/00/43/95/1196004395.db2.gz	SOCZOGOGOGZLOX-DZGCQCFKSA-N	0	1	396.488	0.555	20	30		GCEDMN
CCN1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)C2)CC1	ZINC000185602262	1196150359	/nfs/dbraw/zinc/15/03/59/1196150359.db2.gz	DHNPGCDZNHPRGZ-MRXNPFEDSA-N	0	1	378.498	0.967	20	30		GCEDMN
CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@@H]3CCN(C)C[C@H]32)c1	ZINC000329020740	1196156584	/nfs/dbraw/zinc/15/65/84/1196156584.db2.gz	LXHLUVDPYFCXGH-IAGOWNOFSA-N	0	1	396.513	0.930	20	30		GCEDMN
C[C@H](NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCCCC1	ZINC000329041685	1196159007	/nfs/dbraw/zinc/15/90/07/1196159007.db2.gz	DPNQADFQJKEBBL-ZNMIVQPWSA-N	0	1	388.534	0.794	20	30		GCEDMN
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1	ZINC000329148914	1196168457	/nfs/dbraw/zinc/16/84/57/1196168457.db2.gz	YNKALPNBPXXRKM-ZBFHGGJFSA-N	0	1	391.520	0.785	20	30		GCEDMN
CN1CC[C@@H](N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)C1=O	ZINC000329153455	1196169642	/nfs/dbraw/zinc/16/96/42/1196169642.db2.gz	BQBKUTDMHZIWRJ-MRXNPFEDSA-N	0	1	384.436	0.912	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1	ZINC000896577600	1196170973	/nfs/dbraw/zinc/17/09/73/1196170973.db2.gz	QBSUZZLNBNXSGH-WMLDXEAASA-N	0	1	380.514	0.515	20	30		GCEDMN
CCN1CCN([C@H]2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C2)CC1	ZINC000329198046	1196175253	/nfs/dbraw/zinc/17/52/53/1196175253.db2.gz	WMSOHEJXUJPHQG-INIZCTEOSA-N	0	1	395.529	0.460	20	30		GCEDMN
Cc1cnn(C[C@@H]2CN(C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)CCO2)c1	ZINC000329258353	1196180393	/nfs/dbraw/zinc/18/03/93/1196180393.db2.gz	DJKNKRGFWZYWKU-HRCADAONSA-N	0	1	379.461	0.442	20	30		GCEDMN
O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000329339919	1196186757	/nfs/dbraw/zinc/18/67/57/1196186757.db2.gz	NYOQQHKTLANEHJ-CABCVRRESA-N	0	1	397.501	0.828	20	30		GCEDMN
CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1	ZINC000329352795	1196188207	/nfs/dbraw/zinc/18/82/07/1196188207.db2.gz	UTYPADKZASGYFX-HZPDHXFCSA-N	0	1	392.504	0.776	20	30		GCEDMN
CC(C)CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CN(C)CCN2C)CC1	ZINC000329492475	1196200842	/nfs/dbraw/zinc/20/08/42/1196200842.db2.gz	TZANKJBBZWZZDH-MRXNPFEDSA-N	0	1	389.566	0.186	20	30		GCEDMN
CCn1cc([C@@H]2CS(=O)(=O)CCN2C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)cn1	ZINC000329617622	1196210590	/nfs/dbraw/zinc/21/05/90/1196210590.db2.gz	QFZPWJNWYVCBPH-BBRMVZONSA-N	0	1	392.485	0.869	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1	ZINC000329648430	1196215432	/nfs/dbraw/zinc/21/54/32/1196215432.db2.gz	AXSIODORPYVBOZ-RTBURBONSA-N	0	1	387.528	0.970	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C[C@@H]1C	ZINC000329722472	1196227398	/nfs/dbraw/zinc/22/73/98/1196227398.db2.gz	AYXKWABLGCREBH-YQQAZPJKSA-N	0	1	375.473	0.878	20	30		GCEDMN
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCS(=O)(=O)C3)cn2)CC1	ZINC000329779441	1196230861	/nfs/dbraw/zinc/23/08/61/1196230861.db2.gz	LXCDHBLIWRKDID-MRXNPFEDSA-N	0	1	395.529	0.804	20	30		GCEDMN
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)cc1	ZINC000569941453	1196234503	/nfs/dbraw/zinc/23/45/03/1196234503.db2.gz	PTJBHAAUFGLMJS-QWRGUYRKSA-N	0	1	398.470	0.377	20	30		GCEDMN
CC(C)[N@H+]1CCO[C@H](CN2CCN(C([O-])=[NH+][C@H]3CCc4c[nH]nc4C3)CC2)C1	ZINC000329864041	1196234783	/nfs/dbraw/zinc/23/47/83/1196234783.db2.gz	SKAFCXYISWCLKQ-ZWKOTPCHSA-N	0	1	390.532	0.908	20	30		GCEDMN
Cc1c([C@@H]2[C@H](C(=O)N[C@H](C)CN3CCN(C)CC3)CC(=O)N2C)cnn1C	ZINC000329865459	1196234868	/nfs/dbraw/zinc/23/48/68/1196234868.db2.gz	AGUKHXSDAZSMPS-SIIHOXLZSA-N	0	1	376.505	0.840	20	30		GCEDMN
Cc1c([C@@H]2[C@H](C(=O)NC[C@H](C)N3CCN(C)CC3)CC(=O)N2C)cnn1C	ZINC000329887625	1196236567	/nfs/dbraw/zinc/23/65/67/1196236567.db2.gz	XRVCXUSFMRNWDP-JOQOYGCGSA-N	0	1	376.505	0.840	20	30		GCEDMN
C[C@H](NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1)C(=O)N1CCCCC1	ZINC000329904100	1196237829	/nfs/dbraw/zinc/23/78/29/1196237829.db2.gz	QUMLLSGGUVNFBQ-AWEZNQCLSA-N	0	1	388.534	0.700	20	30		GCEDMN
C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCN1C	ZINC000330162180	1196256987	/nfs/dbraw/zinc/25/69/87/1196256987.db2.gz	UILUIPQJUPKYDK-ZIAGYGMSSA-N	0	1	397.501	0.672	20	30		GCEDMN
CC(C)c1nnc2n1C[C@H](NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)CC2	ZINC000330208739	1196259577	/nfs/dbraw/zinc/25/95/77/1196259577.db2.gz	GZNVZIRIWRVYAW-CHWSQXEVSA-N	0	1	384.506	0.596	20	30		GCEDMN
O=C(N[C@H]1CCn2ccnc2C1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000330283971	1196263171	/nfs/dbraw/zinc/26/31/71/1196263171.db2.gz	WVLSJYWOYTYFBX-LSDHHAIUSA-N	0	1	397.501	0.238	20	30		GCEDMN
O=C(N[C@@H]1CCn2ccnc2C1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000330283970	1196263256	/nfs/dbraw/zinc/26/32/56/1196263256.db2.gz	WVLSJYWOYTYFBX-HUUCEWRRSA-N	0	1	397.501	0.238	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN(C(C)=O)C1)c1ccn[nH]1	ZINC000280904592	1196264986	/nfs/dbraw/zinc/26/49/86/1196264986.db2.gz	ZEAUADWAXONRHV-JEEMYIIMSA-N	0	1	379.417	0.068	20	30		GCEDMN
C[C@H]([C@H](C)NC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)N1CCOCC1	ZINC000330326844	1196284649	/nfs/dbraw/zinc/28/46/49/1196284649.db2.gz	KKLYRHDHDAIRBO-MJBXVCDLSA-N	0	1	379.465	0.037	20	30		GCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO	ZINC000281708250	1196324616	/nfs/dbraw/zinc/32/46/16/1196324616.db2.gz	CQQJJYOEQPVEMR-BPQIPLTHSA-N	0	1	380.514	0.795	20	30		GCEDMN
Cc1cc(C#N)ccc1S(=O)(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000467496451	1196560143	/nfs/dbraw/zinc/56/01/43/1196560143.db2.gz	WXFJKGYYFPXOKR-MRXNPFEDSA-N	0	1	399.538	0.996	20	30		GCEDMN
Cc1ccc(C(=O)NC2(c3nn[nH]n3)CCCC2)cc1S(=O)(=O)NCC#N	ZINC000524041304	1196572383	/nfs/dbraw/zinc/57/23/83/1196572383.db2.gz	YFMICEJTYJNROZ-UHFFFAOYSA-N	0	1	389.441	0.509	20	30		GCEDMN
CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1C#N	ZINC000525390640	1196677659	/nfs/dbraw/zinc/67/76/59/1196677659.db2.gz	DIASTNIBHMQVSY-AWEZNQCLSA-N	0	1	389.481	0.759	20	30		GCEDMN
Cc1nc(C#N)c(N2CCC(C(=O)NCCCN3CCC[C@@H]3C(N)=O)CC2)o1	ZINC000526996921	1196754651	/nfs/dbraw/zinc/75/46/51/1196754651.db2.gz	YWPXONWWWBZPAG-MRXNPFEDSA-N	0	1	388.472	0.527	20	30		GCEDMN
Cc1nc(SCC(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)c(C#N)c(C)c1C	ZINC000449107030	1196853300	/nfs/dbraw/zinc/85/33/00/1196853300.db2.gz	LARZBTWGTUJZBI-LSDHHAIUSA-N	0	1	392.481	0.559	20	30		GCEDMN
N#Cc1ccccc1OC[C@H](O)CN1CCC(N2CCCS2(=O)=O)CC1	ZINC000528525027	1196865989	/nfs/dbraw/zinc/86/59/89/1196865989.db2.gz	ZROHWPQLSDZJPD-QGZVFWFLSA-N	0	1	379.482	0.798	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1	ZINC000532283253	1197138551	/nfs/dbraw/zinc/13/85/51/1197138551.db2.gz	BJZXCJHJFSLRGT-IBGZPJMESA-N	0	1	375.473	0.981	20	30		GCEDMN
CN1CCN(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)CC1	ZINC000171108529	1197312329	/nfs/dbraw/zinc/31/23/29/1197312329.db2.gz	XYYFSZFBESTUTR-UHFFFAOYSA-N	0	1	392.463	0.751	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000533230012	1197440708	/nfs/dbraw/zinc/44/07/08/1197440708.db2.gz	ZLEKAMRGJVTNTR-UHFFFAOYSA-N	0	1	382.461	0.988	20	30		GCEDMN
N#Cc1ccsc1NC(=O)CCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000533383687	1197448634	/nfs/dbraw/zinc/44/86/34/1197448634.db2.gz	XUYFXEKDUKZCQQ-KGLIPLIRSA-N	0	1	398.510	0.036	20	30		GCEDMN
C#CCN1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NCCOC)cc1	ZINC000729809559	1197524780	/nfs/dbraw/zinc/52/47/80/1197524780.db2.gz	LSXZMHXGBKWZSZ-INIZCTEOSA-N	0	1	380.466	0.866	20	30		GCEDMN
C#CCN1CCC[C@@H]1COC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1	ZINC000729810110	1197525248	/nfs/dbraw/zinc/52/52/48/1197525248.db2.gz	UKULFZKFETYZPN-CQSZACIVSA-N	0	1	376.409	0.822	20	30		GCEDMN
C#CC[C@@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1	ZINC000271733261	1197559041	/nfs/dbraw/zinc/55/90/41/1197559041.db2.gz	SSVZIYWMVPROGC-RBUKOAKNSA-N	0	1	389.521	0.672	20	30		GCEDMN
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2(C#N)CCN(C)CC2)[C@H](C)O)cc1	ZINC000542784005	1199041200	/nfs/dbraw/zinc/04/12/00/1199041200.db2.gz	YSRPDLHZLUGMBV-GOEBONIOSA-N	0	1	394.497	0.127	20	30		GCEDMN
CN1CCN(C)[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000542801256	1199051757	/nfs/dbraw/zinc/05/17/57/1199051757.db2.gz	QWWVTWCCZPVGAG-QZTJIDSGSA-N	0	1	384.484	0.599	20	30		GCEDMN
CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000499495739	1199168780	/nfs/dbraw/zinc/16/87/80/1199168780.db2.gz	RCUGXSWXBMLILC-ULQDDVLXSA-N	0	1	379.486	0.475	20	30		GCEDMN
CC(C)N1CCO[C@@H](CN2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1	ZINC000115542601	1199521861	/nfs/dbraw/zinc/52/18/61/1199521861.db2.gz	LQQZSFNISVKSBU-PMACEKPBSA-N	0	1	385.512	0.811	20	30		GCEDMN
COc1cc(C#N)ccc1OCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000265846554	1199653605	/nfs/dbraw/zinc/65/36/05/1199653605.db2.gz	OXQYOVQQAQVOLQ-JKSUJKDBSA-N	0	1	395.481	0.033	20	30		GCEDMN
CN(CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1	ZINC000329430737	1199841448	/nfs/dbraw/zinc/84/14/48/1199841448.db2.gz	KFKKBBVBUXCLRF-RDJZCZTQSA-N	0	1	376.482	0.731	20	30		GCEDMN
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ncn[nH]1	ZINC001004721819	1199917506	/nfs/dbraw/zinc/91/75/06/1199917506.db2.gz	INFFISXGRBAWGQ-YUELXQCFSA-N	0	1	380.408	0.316	20	30		GCEDMN
C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccn[nH]1	ZINC001004720620	1199917580	/nfs/dbraw/zinc/91/75/80/1199917580.db2.gz	AUZZVLGLGFEDOF-OIISXLGYSA-N	0	1	379.420	0.921	20	30		GCEDMN
Cc1nc(CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n[nH]1	ZINC000625263851	1199928282	/nfs/dbraw/zinc/92/82/82/1199928282.db2.gz	QONIEAQKHFUYFJ-UHFFFAOYSA-N	0	1	378.436	0.530	20	30		GCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C(C)(C)C)n2)C[C@@H]1O	ZINC001083853896	1200182857	/nfs/dbraw/zinc/18/28/57/1200182857.db2.gz	VBTOJFBFEVYZPX-FQLMCAECSA-N	0	1	377.489	0.745	20	30		GCEDMN
C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCC(OC)CC2)cc1	ZINC000674324318	1200220591	/nfs/dbraw/zinc/22/05/91/1200220591.db2.gz	RIELDGQMDSGXQB-UHFFFAOYSA-N	0	1	381.498	0.992	20	30		GCEDMN
C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(F)CCOC2)C3)CC1	ZINC001005342078	1200258498	/nfs/dbraw/zinc/25/84/98/1200258498.db2.gz	UMIXLWPCRQZBID-WWNBULGVSA-N	0	1	377.460	0.708	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1OC	ZINC000946820240	1200269138	/nfs/dbraw/zinc/26/91/38/1200269138.db2.gz	SQPFHDWZNWVCRM-BQDHKBFISA-N	0	1	385.424	0.505	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1OC	ZINC000946822205	1200315662	/nfs/dbraw/zinc/31/56/62/1200315662.db2.gz	KFRXTBSYGYCLRQ-WCXIOVBPSA-N	0	1	379.501	0.651	20	30		GCEDMN
N#Cc1ccc(-n2ccc(NC(=O)NCC(=O)N3CCNCC3)n2)c(Cl)c1	ZINC000567452463	1200688166	/nfs/dbraw/zinc/68/81/66/1200688166.db2.gz	YZUKAFIZCNCYSC-UHFFFAOYSA-N	0	1	387.831	0.951	20	30		GCEDMN
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CN1C1CC1	ZINC000374678295	1200702171	/nfs/dbraw/zinc/70/21/71/1200702171.db2.gz	LIUWDIKNUJKIPW-JSGCOSHPSA-N	0	1	396.426	1.563	20	30		GCEDMN
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1	ZINC000460589200	1200967729	/nfs/dbraw/zinc/96/77/29/1200967729.db2.gz	VQCWWQKUXSHAHP-MRXNPFEDSA-N	0	1	391.435	0.859	20	30		GCEDMN
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)C1	ZINC000552580452	1201094512	/nfs/dbraw/zinc/09/45/12/1201094512.db2.gz	GZEDZIZIWQMIGD-ZDUSSCGKSA-N	0	1	376.461	0.530	20	30		GCEDMN
Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000564831655	1201159989	/nfs/dbraw/zinc/15/99/89/1201159989.db2.gz	AVWQMBHPEWSNBS-UHFFFAOYSA-N	0	1	380.412	1.078	20	30		GCEDMN
C#CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1	ZINC001079143770	1201247442	/nfs/dbraw/zinc/24/74/42/1201247442.db2.gz	MVEXGYSTQHZYMG-IYWMVGAKSA-N	0	1	383.492	0.985	20	30		GCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1	ZINC001080902848	1201284169	/nfs/dbraw/zinc/28/41/69/1201284169.db2.gz	OOKXTRKAFGEKHX-ANQUJSFKSA-N	0	1	388.468	0.574	20	30		GCEDMN
N#Cc1ccc(C(=O)NCC(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1	ZINC000727189408	1201351378	/nfs/dbraw/zinc/35/13/78/1201351378.db2.gz	BRMCAVQAOBNAPE-UHFFFAOYSA-N	0	1	398.400	0.853	20	30		GCEDMN
C#CCNCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000727238722	1201353104	/nfs/dbraw/zinc/35/31/04/1201353104.db2.gz	RJGMZAHASDHELI-UHFFFAOYSA-N	0	1	389.399	0.761	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCCN3CCCC3=O)C[C@@H]21	ZINC001083084207	1201381450	/nfs/dbraw/zinc/38/14/50/1201381450.db2.gz	DOJUDDNRMVCXCA-YDZRNGNQSA-N	0	1	391.512	0.892	20	30		GCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]21	ZINC001084353701	1201410150	/nfs/dbraw/zinc/41/01/50/1201410150.db2.gz	ZMSUTDKFQNHKOI-VQHPVUNQSA-N	0	1	375.469	0.649	20	30		GCEDMN
C#CCOc1cccc(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1	ZINC000730996094	1201468627	/nfs/dbraw/zinc/46/86/27/1201468627.db2.gz	MRHSAFZFXSHOQO-UHFFFAOYSA-N	0	1	386.389	0.847	20	30		GCEDMN
CN1CCC(C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1	ZINC000731637252	1201490882	/nfs/dbraw/zinc/49/08/82/1201490882.db2.gz	SJVCXYKIYOFUKR-UHFFFAOYSA-N	0	1	380.445	0.984	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1nc(-c2ccc(F)cc2)n[nH]1	ZINC000732467905	1201545088	/nfs/dbraw/zinc/54/50/88/1201545088.db2.gz	YNVAPBCLOCBRHK-BMRADRMJSA-N	0	1	399.386	0.936	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1n[nH]c(-c2ccc(F)cc2)n1	ZINC000732467905	1201545091	/nfs/dbraw/zinc/54/50/91/1201545091.db2.gz	YNVAPBCLOCBRHK-BMRADRMJSA-N	0	1	399.386	0.936	20	30		GCEDMN
N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC000734662604	1201658182	/nfs/dbraw/zinc/65/81/82/1201658182.db2.gz	AORUMSLFIJLOAN-QGZVFWFLSA-N	0	1	387.488	0.071	20	30		GCEDMN
C[C@H](C#N)Oc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1	ZINC000734843494	1201663896	/nfs/dbraw/zinc/66/38/96/1201663896.db2.gz	LUIZWETUJYOMRJ-OLMNPRSZSA-N	0	1	379.482	0.565	20	30		GCEDMN
O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1	ZINC000735116375	1201679376	/nfs/dbraw/zinc/67/93/76/1201679376.db2.gz	JDFCGDLXWSULGS-SSZFMOIBSA-N	0	1	385.405	0.880	20	30		GCEDMN
Cc1cccc2[nH]c(C(C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc21	ZINC000735790972	1201701842	/nfs/dbraw/zinc/70/18/42/1201701842.db2.gz	SOSXTYIJVZGDQK-LLVKDONJSA-N	0	1	391.391	0.495	20	30		GCEDMN
Cc1cccc2nc([C@H](C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c21	ZINC000735790972	1201701847	/nfs/dbraw/zinc/70/18/47/1201701847.db2.gz	SOSXTYIJVZGDQK-LLVKDONJSA-N	0	1	391.391	0.495	20	30		GCEDMN
Cc1cccc2nc(C(C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c21	ZINC000735790972	1201701850	/nfs/dbraw/zinc/70/18/50/1201701850.db2.gz	SOSXTYIJVZGDQK-LLVKDONJSA-N	0	1	391.391	0.495	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000735940533	1201705907	/nfs/dbraw/zinc/70/59/07/1201705907.db2.gz	REQVTIBJIYDMHM-UHFFFAOYSA-N	0	1	378.450	0.917	20	30		GCEDMN
C#CCN1CCC(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1	ZINC000735940175	1201706515	/nfs/dbraw/zinc/70/65/15/1201706515.db2.gz	MXVVSKFIAAISIV-UHFFFAOYSA-N	0	1	379.438	0.161	20	30		GCEDMN
C#CCN1CCC(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000735940961	1201706595	/nfs/dbraw/zinc/70/65/95/1201706595.db2.gz	XAFPGRYSJUPNEJ-ZBFHGGJFSA-N	0	1	384.498	0.299	20	30		GCEDMN
CC(C)(O)CN1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000742150904	1201790709	/nfs/dbraw/zinc/79/07/09/1201790709.db2.gz	KELRUELQVIQXBH-UHFFFAOYSA-N	0	1	385.468	0.668	20	30		GCEDMN
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H](CN3CCOCC3)C2)C1=O	ZINC000742161681	1201791532	/nfs/dbraw/zinc/79/15/32/1201791532.db2.gz	MSFDMOWAINOKIZ-DYESRHJHSA-N	0	1	397.479	0.937	20	30		GCEDMN
C[C@H]1CN(C(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)CCO1	ZINC000744442800	1201843781	/nfs/dbraw/zinc/84/37/81/1201843781.db2.gz	MSUHQIHPRHCGFZ-AWEZNQCLSA-N	0	1	376.457	0.532	20	30		GCEDMN
C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1	ZINC000746216250	1201903750	/nfs/dbraw/zinc/90/37/50/1201903750.db2.gz	VXVVQRLWPYGKCO-FQEVSTJZSA-N	0	1	382.508	0.935	20	30		GCEDMN
CC(C)[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21	ZINC000766452871	1201924806	/nfs/dbraw/zinc/92/48/06/1201924806.db2.gz	IJUXKRZBZKWPMY-CQSZACIVSA-N	0	1	390.465	0.910	20	30		GCEDMN
CCOC(=O)[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CO1	ZINC001169368823	1201944168	/nfs/dbraw/zinc/94/41/68/1201944168.db2.gz	UIBUUUWXVNAPHH-SDDRHHMPSA-N	0	1	386.407	0.113	20	30		GCEDMN
C=CCN1CCN(C)C2(CCN([C@H]3CC[C@H](C(=O)OCC)OC3)CC2)C1=O	ZINC001169399869	1201946005	/nfs/dbraw/zinc/94/60/05/1201946005.db2.gz	WYWOXSHYAYHULO-DLBZAZTESA-N	0	1	379.501	0.892	20	30		GCEDMN
CN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2	ZINC001109156398	1202000186	/nfs/dbraw/zinc/00/01/86/1202000186.db2.gz	LIMDRYLCPYPOOD-KBMXLJTQSA-N	0	1	379.486	0.503	20	30		GCEDMN
CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C)C2	ZINC001109450384	1202054443	/nfs/dbraw/zinc/05/44/43/1202054443.db2.gz	PUWCSTWCNKPZKZ-OWSLCNJRSA-N	0	1	375.517	0.954	20	30		GCEDMN
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2	ZINC001109478139	1202060130	/nfs/dbraw/zinc/06/01/30/1202060130.db2.gz	AALJIMRAUCELHN-BVGQSLNGSA-N	0	1	378.432	0.613	20	30		GCEDMN
C#CCNC(=O)CN(C1CC1)S(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1	ZINC000769564728	1202062568	/nfs/dbraw/zinc/06/25/68/1202062568.db2.gz	WXGJCGWSOUAOGL-SFHVURJKSA-N	0	1	375.494	0.805	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C(Cc2ccccc2)C(F)F)c(=O)n(C)c1=O	ZINC000769584865	1202063495	/nfs/dbraw/zinc/06/34/95/1202063495.db2.gz	JXWFRXCXXGDATR-UHFFFAOYSA-N	0	1	386.380	0.226	20	30		GCEDMN
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3ccncc3)n1)C2	ZINC001109512585	1202069220	/nfs/dbraw/zinc/06/92/20/1202069220.db2.gz	OWRPTVXJLSNWPZ-NJAFHUGGSA-N	0	1	378.436	0.352	20	30		GCEDMN
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O	ZINC001109597732	1202088913	/nfs/dbraw/zinc/08/89/13/1202088913.db2.gz	VOVULJITIAGVEZ-UGUYLWEFSA-N	0	1	377.485	0.820	20	30		GCEDMN
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O	ZINC001109625060	1202091057	/nfs/dbraw/zinc/09/10/57/1202091057.db2.gz	NSYPBLWXSACLDD-QZWWFDLISA-N	0	1	375.469	0.411	20	30		GCEDMN
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O	ZINC001109625059	1202091268	/nfs/dbraw/zinc/09/12/68/1202091268.db2.gz	NSYPBLWXSACLDD-NCOADZHNSA-N	0	1	375.469	0.411	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CCc2nc(C)ncc2C1)c1ccn[nH]1	ZINC000770825824	1202115082	/nfs/dbraw/zinc/11/50/82/1202115082.db2.gz	YEWQRXLAKKFXKX-ZDUSSCGKSA-N	0	1	386.412	0.466	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccccc1-n1cncn1)c1ccn[nH]1	ZINC000770825807	1202115367	/nfs/dbraw/zinc/11/53/67/1202115367.db2.gz	XWWNIFDBKIFRRA-UHFFFAOYSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccn[nH]1	ZINC000770825814	1202115405	/nfs/dbraw/zinc/11/54/05/1202115405.db2.gz	YBTNVBFIHQNVMB-UHFFFAOYSA-N	0	1	397.395	0.591	20	30		GCEDMN
C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1	ZINC001109762285	1202119510	/nfs/dbraw/zinc/11/95/10/1202119510.db2.gz	MAPWNZQFZLLAEX-VZEFYGNVSA-N	0	1	376.482	0.717	20	30		GCEDMN
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCCC1=O	ZINC001109806051	1202125768	/nfs/dbraw/zinc/12/57/68/1202125768.db2.gz	MMTZBDHVUWERCZ-OWSLCNJRSA-N	0	1	376.501	0.801	20	30		GCEDMN
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnc[nH]3)cc1)C2	ZINC001109923363	1202150866	/nfs/dbraw/zinc/15/08/66/1202150866.db2.gz	BNOYNMCELQBFMW-PMPSAXMXSA-N	0	1	379.424	0.447	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2n1	ZINC000771890654	1202166344	/nfs/dbraw/zinc/16/63/44/1202166344.db2.gz	HMEFGFFYKLJBOI-UHFFFAOYSA-N	0	1	387.421	0.335	20	30		GCEDMN
C[C@H]1CCc2c(F)cccc2C1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771888694	1202166394	/nfs/dbraw/zinc/16/63/94/1202166394.db2.gz	FOOHKCHGRSAUEU-JTQLQIEISA-N	0	1	394.428	0.488	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cnc(C3CCCC3)s2)c(=O)n(C)c1=O	ZINC000771889269	1202166571	/nfs/dbraw/zinc/16/65/71/1202166571.db2.gz	AEDZUCATVYROGN-UHFFFAOYSA-N	0	1	397.482	0.511	20	30		GCEDMN
COc1ccc([C@H](C)C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771896631	1202168422	/nfs/dbraw/zinc/16/84/22/1202168422.db2.gz	DXLZFUIOWZFTJT-LLVKDONJSA-N	0	1	394.453	0.551	20	30		GCEDMN
CCC(Cc1ccc(C)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771892296	1202168450	/nfs/dbraw/zinc/16/84/50/1202168450.db2.gz	PMURDWZUIROGNR-UHFFFAOYSA-N	0	1	378.454	0.679	20	30		GCEDMN
COc1ccc([C@@H](C)C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771896633	1202168510	/nfs/dbraw/zinc/16/85/10/1202168510.db2.gz	DXLZFUIOWZFTJT-NSHDSACASA-N	0	1	394.453	0.551	20	30		GCEDMN
Cc1ccc2c(c1C)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCO2	ZINC000771892804	1202168542	/nfs/dbraw/zinc/16/85/42/1202168542.db2.gz	VDVCUXLFJCYEMH-UHFFFAOYSA-N	0	1	392.437	0.166	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2c[nH]c3cc(Cl)ccc23)c(=O)n(C)c1=O	ZINC000771896549	1202168562	/nfs/dbraw/zinc/16/85/62/1202168562.db2.gz	CDHNIPGVZFDKQO-UHFFFAOYSA-N	0	1	395.828	0.531	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C)c(C)cc1C	ZINC000771897242	1202168931	/nfs/dbraw/zinc/16/89/31/1202168931.db2.gz	KGNUTCGURRANGM-UHFFFAOYSA-N	0	1	378.454	0.712	20	30		GCEDMN
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CCC2	ZINC000771897720	1202169078	/nfs/dbraw/zinc/16/90/78/1202169078.db2.gz	QOJMUCCBOGLWNJ-UHFFFAOYSA-N	0	1	376.438	0.275	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=C2CCC3(CCOCC3)CC2)c(=O)n(C)c1=O	ZINC000771898084	1202169141	/nfs/dbraw/zinc/16/91/41/1202169141.db2.gz	UBFMGKGKBULTHZ-UHFFFAOYSA-N	0	1	384.458	0.089	20	30		GCEDMN
CCc1oc2ccccc2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771897811	1202169174	/nfs/dbraw/zinc/16/91/74/1202169174.db2.gz	RVNUGLFQSSGPHG-UHFFFAOYSA-N	0	1	390.421	0.705	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccn[nH]1	ZINC000772125386	1202175319	/nfs/dbraw/zinc/17/53/19/1202175319.db2.gz	TXXSKKZWOGCIRE-CYBMUJFWSA-N	0	1	390.400	0.708	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccccc1Cn1cncn1)c1ccn[nH]1	ZINC000772149471	1202175676	/nfs/dbraw/zinc/17/56/76/1202175676.db2.gz	NIJIBLWSMGXINA-UHFFFAOYSA-N	0	1	397.395	0.972	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccn[nH]1	ZINC000772150673	1202175741	/nfs/dbraw/zinc/17/57/41/1202175741.db2.gz	FLAMNKZGDQIHGK-UHFFFAOYSA-N	0	1	375.341	0.918	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccn[nH]1	ZINC000772152182	1202175769	/nfs/dbraw/zinc/17/57/69/1202175769.db2.gz	QSCWGPSJCIBRAJ-ZDUSSCGKSA-N	0	1	399.407	0.615	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCc2ccccc2[C@H]1C(N)=O)c1cc[nH]n1	ZINC000772226380	1202176756	/nfs/dbraw/zinc/17/67/56/1202176756.db2.gz	ODJUHKRFHQDNNS-KRWDZBQOSA-N	0	1	399.407	0.305	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1c(C)nn(CC)c1C)c1ccn[nH]1	ZINC000772205243	1202177829	/nfs/dbraw/zinc/17/78/29/1202177829.db2.gz	FVCCTSSGJKEFLR-UHFFFAOYSA-N	0	1	376.417	0.843	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCCc1ccc2c(c1)CCO2)c1ccn[nH]1	ZINC000772285882	1202178688	/nfs/dbraw/zinc/17/86/88/1202178688.db2.gz	VPFKLNYPUXJZQI-UHFFFAOYSA-N	0	1	386.408	0.987	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc(-c2nnnn2C)c1)c1ccn[nH]1	ZINC000789946349	1205452926	/nfs/dbraw/zinc/45/29/26/1205452926.db2.gz	HMYSIVLLYXQBIX-UHFFFAOYSA-N	0	1	398.383	0.523	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccnc1-n1cccn1)c1ccn[nH]1	ZINC000789953773	1205453361	/nfs/dbraw/zinc/45/33/61/1205453361.db2.gz	VQNUFYXWUFNKPW-UHFFFAOYSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCc1cccnc1-n1cccn1)c1ccn[nH]1	ZINC000789967487	1205453501	/nfs/dbraw/zinc/45/35/01/1205453501.db2.gz	LGHMLQYECCKYRB-UHFFFAOYSA-N	0	1	397.395	0.591	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2ccc(OCC3CC3)cc2)c(=O)n(C)c1=O	ZINC000790172695	1205457876	/nfs/dbraw/zinc/45/78/76/1205457876.db2.gz	UCZOUCUHNVWPNX-UHFFFAOYSA-N	0	1	392.437	0.185	20	30		GCEDMN
C[C@H]1CN(c2nccnc2C#N)CCN1CN1C[C@]2(CN3CCC2CC3)OC1=O	ZINC000790366246	1205463216	/nfs/dbraw/zinc/46/32/16/1205463216.db2.gz	HOADVYZVTYFAOC-YWZLYKJASA-N	0	1	397.483	0.733	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)C(=O)NCC2)c1ccn[nH]1	ZINC000792813953	1205493714	/nfs/dbraw/zinc/49/37/14/1205493714.db2.gz	RKWLLEJHSHHWIR-UHFFFAOYSA-N	0	1	385.380	0.618	20	30		GCEDMN
N#Cc1ccncc1N1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1	ZINC000793671794	1205502306	/nfs/dbraw/zinc/50/23/06/1205502306.db2.gz	DJLXBVPJICHQNQ-HXUWFJFHSA-N	0	1	382.468	0.949	20	30		GCEDMN
C[C@H](CC(=O)NCCN1CC=CCC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000794114712	1205511571	/nfs/dbraw/zinc/51/15/71/1205511571.db2.gz	IKAOZNCIXMXMHI-CQSZACIVSA-N	0	1	376.482	0.882	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1[C@H]1CCCO1)c1cc[nH]n1	ZINC000804393113	1205514784	/nfs/dbraw/zinc/51/47/84/1205514784.db2.gz	GMFMWJIKWDENBW-UONOGXRCSA-N	0	1	380.401	0.100	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1[C@H]1CCCO1)c1cc[nH]n1	ZINC000804393115	1205514873	/nfs/dbraw/zinc/51/48/73/1205514873.db2.gz	GMFMWJIKWDENBW-ZIAGYGMSSA-N	0	1	380.401	0.100	20	30		GCEDMN
C#CCNc1nc(NCCc2ccnn2C)nc(NCCc2ccnn2C)n1	ZINC000804615442	1205518989	/nfs/dbraw/zinc/51/89/89/1205518989.db2.gz	QRASRSIDZUOMSH-UHFFFAOYSA-N	0	1	380.460	0.693	20	30		GCEDMN
Cc1nc([C@H](C)NC(=O)C[C@H](C)N=C2NS(=O)(=O)c3ccccc32)n[nH]1	ZINC000804811940	1205526040	/nfs/dbraw/zinc/52/60/40/1205526040.db2.gz	GOEWXPXESMCDQN-UWVGGRQHSA-N	0	1	376.442	0.808	20	30		GCEDMN
CCC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[nH]1	ZINC001130240103	1205538483	/nfs/dbraw/zinc/53/84/83/1205538483.db2.gz	ISAFPINSHDDKLQ-TWMKSMIVSA-N	0	1	389.500	0.969	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@H]1c1cn(C)cn1	ZINC001130624550	1205556371	/nfs/dbraw/zinc/55/63/71/1205556371.db2.gz	YEYKOKBHNPXIQX-KYHPRHEASA-N	0	1	385.512	0.736	20	30		GCEDMN
C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1cn(C)cn1	ZINC001130689802	1205560261	/nfs/dbraw/zinc/56/02/61/1205560261.db2.gz	MBHCKMTYDZTDPZ-MJQMVNBJSA-N	0	1	383.496	0.490	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](C)C1	ZINC000807110657	1205575637	/nfs/dbraw/zinc/57/56/37/1205575637.db2.gz	XAWRWAINDSZWJO-FXUDXRNXSA-N	0	1	395.504	0.842	20	30		GCEDMN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](C)C1	ZINC000807110658	1205575667	/nfs/dbraw/zinc/57/56/67/1205575667.db2.gz	XAWRWAINDSZWJO-QKPAOTATSA-N	0	1	395.504	0.842	20	30		GCEDMN
CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(CCO)C(C)(C)C2)[C@@H](C#N)C1	ZINC000807110504	1205575695	/nfs/dbraw/zinc/57/56/95/1205575695.db2.gz	UVWJSPDHTLGBMS-GJZGRUSLSA-N	0	1	395.504	0.844	20	30		GCEDMN
C#C[C@@H](NC(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCCO1	ZINC000807855376	1205591528	/nfs/dbraw/zinc/59/15/28/1205591528.db2.gz	ISUINDZASBVSAD-MSOLQXFVSA-N	0	1	391.512	0.682	20	30		GCEDMN
C#C[C@H](NC(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1)[C@H]1CCCO1	ZINC000809307327	1205621619	/nfs/dbraw/zinc/62/16/19/1205621619.db2.gz	CJGADOKEAMSTEU-RBUKOAKNSA-N	0	1	391.512	0.634	20	30		GCEDMN
CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCNc1ccc(C#N)cn1	ZINC000810087081	1205633559	/nfs/dbraw/zinc/63/35/59/1205633559.db2.gz	MZUQHLDJRZJBLZ-MRXNPFEDSA-N	0	1	383.456	0.978	20	30		GCEDMN
C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1	ZINC000810271608	1205635575	/nfs/dbraw/zinc/63/55/75/1205635575.db2.gz	XTTOXVOAIMEACN-UHFFFAOYSA-N	0	1	399.419	0.231	20	30		GCEDMN
Cn1cc(S(=O)(=O)NN=Cc2cccc(-c3ccccn3)c2)c(=O)n(C)c1=O	ZINC000747762381	1205660435	/nfs/dbraw/zinc/66/04/35/1205660435.db2.gz	BDOQSNRKNBOINA-UHFFFAOYSA-N	0	1	399.432	0.458	20	30		GCEDMN
C#CCNC(=O)C1CCN([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1	ZINC000747818429	1205668370	/nfs/dbraw/zinc/66/83/70/1205668370.db2.gz	RCFYFPHRGXWMHC-MRXNPFEDSA-N	0	1	399.491	0.966	20	30		GCEDMN
CN(C)/C=N/c1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])cc1C#N	ZINC001170693231	1205670424	/nfs/dbraw/zinc/67/04/24/1205670424.db2.gz	FQDNPXDVYSQSEM-FZJZADEZSA-N	0	1	397.439	0.426	20	30		GCEDMN
C#CCN(C)c1cnc(-c2noc(CN(C)c3ncnc4[nH]cnc43)n2)cn1	ZINC000813340905	1205675137	/nfs/dbraw/zinc/67/51/37/1205675137.db2.gz	LPNSKHPERACBKO-UHFFFAOYSA-N	0	1	376.384	0.899	20	30		GCEDMN
C=C[C@@H]1C[C@]1(Nc1nc(Cl)nc2c1C[NH2+]C2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170740217	1205689528	/nfs/dbraw/zinc/68/95/28/1205689528.db2.gz	IITOTJDEDNJAHR-ANRSDYALSA-N	0	1	383.861	0.698	20	30		GCEDMN
C=C[C@H](O)C(=O)OCC1=NC(=O)N[C@@H](c2ccc(OC)cc2)C1C(=O)OCC	ZINC000814546423	1205693207	/nfs/dbraw/zinc/69/32/07/1205693207.db2.gz	BXQYUFKXTVLHJZ-HOCLYGCPSA-N	0	1	390.392	0.956	20	30		GCEDMN
C=C[C@@H](O)C(=O)OCC1=NC(=O)N[C@H](c2ccc(OC)cc2)C1C(=O)OCC	ZINC000814546421	1205693339	/nfs/dbraw/zinc/69/33/39/1205693339.db2.gz	BXQYUFKXTVLHJZ-GDBMZVCRSA-N	0	1	390.392	0.956	20	30		GCEDMN
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1	ZINC001171943409	1205710799	/nfs/dbraw/zinc/71/07/99/1205710799.db2.gz	RWHSNDUPXLVCQT-BHYGNILZSA-N	0	1	385.468	0.457	20	30		GCEDMN
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1	ZINC001171943409	1205710800	/nfs/dbraw/zinc/71/08/00/1205710800.db2.gz	RWHSNDUPXLVCQT-BHYGNILZSA-N	0	1	385.468	0.457	20	30		GCEDMN
N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cc4ccn[nH]4)C3)OCC2=O)cc1	ZINC001175723578	1205740803	/nfs/dbraw/zinc/74/08/03/1205740803.db2.gz	RQLLJQHQTDQMGM-HXUWFJFHSA-N	0	1	395.419	0.485	20	30		GCEDMN
N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)Cc4nn[nH]n4)C3)C2)c1	ZINC001176840429	1205756610	/nfs/dbraw/zinc/75/66/10/1205756610.db2.gz	JXJFAUYTVYIFDH-LJQANCHMSA-N	0	1	381.440	0.759	20	30		GCEDMN
Cn1c(Br)c(C#N)c2c1nc(Cl)nc2NC(=O)Cc1nn[nH]n1	ZINC001176840782	1205756683	/nfs/dbraw/zinc/75/66/83/1205756683.db2.gz	WRKRXMVTOCYGSS-UHFFFAOYSA-N	0	1	396.596	0.950	20	30		GCEDMN
CCOC(=O)CO/N=C(\C(=O)N1CCC2(C[C@@H]2CCO)CC1)c1cc[nH]n1	ZINC001177258319	1205764087	/nfs/dbraw/zinc/76/40/87/1205764087.db2.gz	FDEWKYMNYAQYCV-JPDJOPTESA-N	0	1	378.429	0.705	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc(-n2ccnn2)cc1)c1ccn[nH]1	ZINC001177262382	1205765208	/nfs/dbraw/zinc/76/52/08/1205765208.db2.gz	BOUCWXQISSLAHB-JWGURIENSA-N	0	1	383.368	0.913	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H](O)COc1ccccc1)c1ccn[nH]1	ZINC001177263494	1205765596	/nfs/dbraw/zinc/76/55/96/1205765596.db2.gz	YGZWHQHAQGTCKN-ODUIBEPXSA-N	0	1	390.396	0.250	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CC(=O)N2C)c1ccn[nH]1	ZINC001177262905	1205765636	/nfs/dbraw/zinc/76/56/36/1205765636.db2.gz	LATRAVASQBISLI-XLNRJJMWSA-N	0	1	385.380	0.851	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)Nc1cccc2c1CC(=O)NC2)c1ccn[nH]1	ZINC001177262824	1205765659	/nfs/dbraw/zinc/76/56/59/1205765659.db2.gz	JMLPVKKREQZGCY-QJOMJCCJSA-N	0	1	385.380	0.505	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NCC(F)(F)C(=O)OCC)c1ccn[nH]1	ZINC001177263893	1205765960	/nfs/dbraw/zinc/76/59/60/1205765960.db2.gz	JFTSUENWFOJOGY-JAIQZWGSSA-N	0	1	376.316	0.008	20	30		GCEDMN
CCOC(=O)CON=C(C(=O)NC[C@H]1C(=O)Nc2ccccc21)c1ccn[nH]1	ZINC001177266816	1205766068	/nfs/dbraw/zinc/76/60/68/1205766068.db2.gz	PLDJBXNBIZNURC-RQUDRXCASA-N	0	1	385.380	0.546	20	30		GCEDMN
CC(=O)N1CC2(C1)CN(C(=O)C(C#N)Cc1cccs1)C[C@H]2C(=O)N(C)C	ZINC001177912799	1205779379	/nfs/dbraw/zinc/77/93/79/1205779379.db2.gz	UEFIQQNRPNIEGR-ZBFHGGJFSA-N	0	1	388.493	0.825	20	30		GCEDMN
CS(=O)(=O)Cc1nc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n[nH]1	ZINC001179021282	1205798418	/nfs/dbraw/zinc/79/84/18/1205798418.db2.gz	QOIZCCITRSNQBI-UHFFFAOYSA-N	0	1	377.401	0.708	20	30		GCEDMN
C=C[C@@H](CO)NC(=O)[C@H]1CN(C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1	ZINC001179157108	1205803849	/nfs/dbraw/zinc/80/38/49/1205803849.db2.gz	ZMPYZKOJZSEKSP-LSDHHAIUSA-N	0	1	383.489	0.750	20	30		GCEDMN
CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)Cc1ccc(F)c(C#N)c1	ZINC001181182023	1205840152	/nfs/dbraw/zinc/84/01/52/1205840152.db2.gz	JWFNVHYWRQPOKY-UHFFFAOYSA-N	0	1	392.412	0.862	20	30		GCEDMN
C=CCSCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC4CCN3CC4)C[C@@H](C1)O2	ZINC001273474017	1205861048	/nfs/dbraw/zinc/86/10/48/1205861048.db2.gz	LPSROMPHZFOAHN-BBWFWOEESA-N	0	1	379.526	0.828	20	30		GCEDMN
C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2	ZINC001273474269	1205861214	/nfs/dbraw/zinc/86/12/14/1205861214.db2.gz	NJMIUPDDYFWUMZ-BBWFWOEESA-N	0	1	379.526	0.828	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCC)c[nH]2)cc1	ZINC000774292079	1205869239	/nfs/dbraw/zinc/86/92/39/1205869239.db2.gz	JMCNXNUDVBRUIS-UHFFFAOYSA-N	0	1	376.394	0.750	20	30		GCEDMN
C=CCSCC(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CCN1CC2	ZINC001273475071	1205869751	/nfs/dbraw/zinc/86/97/51/1205869751.db2.gz	VFEAPHGIDPLQKK-ZACQAIPSSA-N	0	1	379.526	0.828	20	30		GCEDMN
CN(C)C1(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1	ZINC001182598024	1205876619	/nfs/dbraw/zinc/87/66/19/1205876619.db2.gz	XFKARMNJBMMNOJ-FQEVSTJZSA-N	0	1	398.463	0.613	20	30		GCEDMN
C[C@@H]1CN(C2CC2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21	ZINC001183732773	1205899750	/nfs/dbraw/zinc/89/97/50/1205899750.db2.gz	CCMSVAWSCXAJOU-CYBMUJFWSA-N	0	1	376.482	0.810	20	30		GCEDMN
C#CCNS(=O)(=O)c1ccc(C(=O)OCCCNC(=O)C(F)(F)F)cc1	ZINC000774911338	1205926745	/nfs/dbraw/zinc/92/67/45/1205926745.db2.gz	BLLGBQSKZJGONJ-UHFFFAOYSA-N	0	1	392.355	0.824	20	30		GCEDMN