smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)CC(C)(C)C	ZINC000159963854	206273385	/nfs/dbraw/zinc/27/33/85/206273385.db2.gz	FSBWTBMXYYUNGY-NSHDSACASA-N	0	0	337.424	0.928	10	70		ECIERN
O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1	ZINC000160965091	206321080	/nfs/dbraw/zinc/32/10/80/206321080.db2.gz	UVORWDJRLNHWMM-OLZOCXBDSA-N	0	0	349.366	0.471	10	70		ECIERN
CC(C)(C)C(=O)N1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161175153	206332111	/nfs/dbraw/zinc/33/21/11/206332111.db2.gz	OIXMHXZHSQBBEX-LBPRGKRZSA-N	0	0	334.424	0.493	10	70		ECIERN
CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@](C)(O)CSC)CC2	ZINC000160065931	436868078	/nfs/dbraw/zinc/86/80/78/436868078.db2.gz	OIUNLGGVZFRRLG-IINYFYTJSA-N	0	0	327.454	0.569	10	70		ECIERN
CN1CC[C@@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1=O	ZINC000160484272	436873179	/nfs/dbraw/zinc/87/31/79/436873179.db2.gz	FQQOYDBQKAGESH-RWSFTLGLSA-N	0	0	328.434	0.532	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCN(CCOC)[C@@H](C)C1	ZINC000160657454	436875643	/nfs/dbraw/zinc/87/56/43/436875643.db2.gz	UGGZXMZPBQZKMI-NSHDSACASA-N	0	0	338.408	0.663	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(Cc2cccnc2)CC1	ZINC000161099221	206327451	/nfs/dbraw/zinc/32/74/51/206327451.db2.gz	UZDYQBIBBXBHKJ-HNNXBMFYSA-N	0	0	341.419	0.515	10	70		ECIERN
O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000161469393	164807654	/nfs/dbraw/zinc/80/76/54/164807654.db2.gz	JYHIEISJYYDFMA-IUODEOHRSA-N	0	0	341.371	0.838	10	70		ECIERN
Cc1csc(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)n1	ZINC000161172624	206333464	/nfs/dbraw/zinc/33/34/64/206333464.db2.gz	VJIAYICESQGWHC-LBPRGKRZSA-N	0	0	347.448	0.890	10	70		ECIERN
CC[C@H](NC(=O)c1cnc2c(c1)ncn2C)C(=O)N1CCOCC1	ZINC000159952724	164802108	/nfs/dbraw/zinc/80/21/08/164802108.db2.gz	FCWMOQNULWMEER-LBPRGKRZSA-N	0	0	331.376	0.336	10	70		ECIERN
CC1(C)C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c2ccccc2O1	ZINC000159819117	436863126	/nfs/dbraw/zinc/86/31/26/436863126.db2.gz	WKTYIYFYBBHVHJ-VIFPVBQESA-N	0	0	330.344	0.678	10	70		ECIERN
Cn1cnc2cc(C(=O)N3CCO[C@@H](Cn4cccn4)C3)cnc21	ZINC000160471117	436872934	/nfs/dbraw/zinc/87/29/34/436872934.db2.gz	LNHHZYJRLKNYMD-CYBMUJFWSA-N	0	0	326.360	0.706	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1	ZINC000160851078	436880394	/nfs/dbraw/zinc/88/03/94/436880394.db2.gz	MMJOOVPEWJOIKL-NSHDSACASA-N	0	0	332.364	0.939	10	70		ECIERN
CN(C)C(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1cccnc1	ZINC000161180912	206332446	/nfs/dbraw/zinc/33/24/46/206332446.db2.gz	XBHLROONBCJNCX-CQSZACIVSA-N	0	0	332.404	0.671	10	70		ECIERN
COCCN(C)S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159381404	436858985	/nfs/dbraw/zinc/85/89/85/436858985.db2.gz	APCCKTCIWYSYHK-LLVKDONJSA-N	0	0	331.442	0.129	10	70		ECIERN
CN(C)c1nc(CN2CCN(c3ccc4nncn4n3)CC2)ns1	ZINC000159902586	436866894	/nfs/dbraw/zinc/86/68/94/436866894.db2.gz	FPHBQKXDBGIKHE-UHFFFAOYSA-N	0	0	345.436	0.364	10	70		ECIERN
CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)n1	ZINC000160414362	436871084	/nfs/dbraw/zinc/87/10/84/436871084.db2.gz	OJGXLLWLPMSKBK-ZDUSSCGKSA-N	0	0	337.424	0.315	10	70		ECIERN
COCCN(Cc1cccnc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161130029	206330256	/nfs/dbraw/zinc/33/02/56/206330256.db2.gz	JXDXOMURUBMZDN-CQSZACIVSA-N	0	0	330.392	0.846	10	70		ECIERN
CCCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161207506	436886353	/nfs/dbraw/zinc/88/63/53/436886353.db2.gz	IHTXHFIZXHITSW-UONOGXRCSA-N	0	0	348.451	0.931	10	70		ECIERN
Cc1cnn(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)c1	ZINC000217230762	241241428	/nfs/dbraw/zinc/24/14/28/241241428.db2.gz	SHECISFBUAYPAM-UHFFFAOYSA-N	0	0	326.356	0.994	10	70		ECIERN
CNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)co1	ZINC000159758286	206263023	/nfs/dbraw/zinc/26/30/23/206263023.db2.gz	JPBCWLUNEHQJCF-DOMZBBRYSA-N	0	0	342.417	0.955	10	70		ECIERN
O=C(Nc1cccnc1N1CCOCC1)N[C@H]1CCc2ncnn2C1	ZINC000160971324	206320438	/nfs/dbraw/zinc/32/04/38/206320438.db2.gz	MJICZFLFPZHTKY-LBPRGKRZSA-N	0	0	343.391	0.646	10	70		ECIERN
CCC[C@@H](C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)[NH+](C)C	ZINC000159747468	436862621	/nfs/dbraw/zinc/86/26/21/436862621.db2.gz	QQZLGUZZCZXAJE-GJZGRUSLSA-N	0	0	326.485	0.776	10	70		ECIERN
CCc1nn(C)c(CC)c1CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161403954	436889766	/nfs/dbraw/zinc/88/97/66/436889766.db2.gz	VRHMSJNNYDIEDA-NSHDSACASA-N	0	0	331.424	0.951	10	70		ECIERN
C[C@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)N1CCOCC1	ZINC000159978331	206273391	/nfs/dbraw/zinc/27/33/91/206273391.db2.gz	BXTNMMUGYDTHLS-SNVBAGLBSA-N	0	0	332.447	0.602	10	70		ECIERN
COc1ccccc1CN(CCO)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160921135	206318269	/nfs/dbraw/zinc/31/82/69/206318269.db2.gz	AGBMNJXMQXYTMX-CQSZACIVSA-N	0	0	345.403	0.806	10	70		ECIERN
Cn1cnc2cc(C(=O)N3CCO[C@H](Cn4cccn4)C3)cnc21	ZINC000160471026	296713764	/nfs/dbraw/zinc/71/37/64/296713764.db2.gz	LNHHZYJRLKNYMD-ZDUSSCGKSA-N	0	0	326.360	0.706	10	70		ECIERN
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cnc3c(c2)ncn3C)O1	ZINC000161100328	436883297	/nfs/dbraw/zinc/88/32/97/436883297.db2.gz	SULBIOCZTHUJKA-YPMHNXCESA-N	0	0	331.376	0.334	10	70		ECIERN
CN1CCO[C@@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1	ZINC000160072835	529783326	/nfs/dbraw/zinc/78/33/26/529783326.db2.gz	ZFMZCDRINLVKBY-INIZCTEOSA-N	0	0	333.436	0.239	10	70		ECIERN
Cn1nccc1C1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1	ZINC000159923064	225303056	/nfs/dbraw/zinc/30/30/56/225303056.db2.gz	KRRNAXDDUVXSLX-UHFFFAOYSA-N	0	0	333.392	0.458	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2cccc(O)c2)CC1	ZINC000161103777	225548813	/nfs/dbraw/zinc/54/88/13/225548813.db2.gz	XBZRUBIKHFXHHF-ZDUSSCGKSA-N	0	0	342.403	0.830	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000160851190	436880003	/nfs/dbraw/zinc/88/00/03/436880003.db2.gz	MMJOOVPEWJOIKL-LLVKDONJSA-N	0	0	332.364	0.939	10	70		ECIERN
CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161312289	436887331	/nfs/dbraw/zinc/88/73/31/436887331.db2.gz	ORDAQBZCBJVMNI-KGLIPLIRSA-N	0	0	348.451	0.931	10	70		ECIERN
COc1ccccc1CN(CCO)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000160921257	534065028	/nfs/dbraw/zinc/06/50/28/534065028.db2.gz	AGBMNJXMQXYTMX-AWEZNQCLSA-N	0	0	345.403	0.806	10	70		ECIERN
Cc1cc(CN2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)on1	ZINC000161227963	533614322	/nfs/dbraw/zinc/61/43/22/533614322.db2.gz	HFXGQIXSZHGMRZ-ZDUSSCGKSA-N	0	0	345.407	0.417	10	70		ECIERN
CCOC(=O)CCS(=O)(=O)N1CCC(Cn2cccn2)CC1	ZINC000159423881	528739899	/nfs/dbraw/zinc/73/98/99/528739899.db2.gz	FRYOXCMSIOPYNJ-UHFFFAOYSA-N	0	0	329.422	0.878	10	70		ECIERN
C[C@H]1CN(S(=O)(=O)N2CCC(Cn3cccn3)CC2)C[C@H](C)O1	ZINC000159411225	164799457	/nfs/dbraw/zinc/79/94/57/164799457.db2.gz	VAMDFGMQVDBOJW-KBPBESRZSA-N	0	0	342.465	0.949	10	70		ECIERN
Cc1nc2c(cnn2C)c(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n1	ZINC000160086691	225334857	/nfs/dbraw/zinc/33/48/57/225334857.db2.gz	SSAAGNVIDWZVAL-CQSZACIVSA-N	0	0	346.435	0.727	10	70		ECIERN
Cc1nnnn1-c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000161216495	225575753	/nfs/dbraw/zinc/57/57/53/225575753.db2.gz	UWBOVFVZRKIRPV-LBPRGKRZSA-N	0	0	339.363	0.699	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCN(CCOC)[C@H](C)C1	ZINC000160657308	436874263	/nfs/dbraw/zinc/87/42/63/436874263.db2.gz	UGGZXMZPBQZKMI-LLVKDONJSA-N	0	0	338.408	0.663	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000160807974	436879710	/nfs/dbraw/zinc/87/97/10/436879710.db2.gz	ZWAFVEAYRTXWCA-LBPRGKRZSA-N	0	0	336.392	0.417	10	70		ECIERN
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161076713	436883288	/nfs/dbraw/zinc/88/32/88/436883288.db2.gz	MOXYGJGJDCATRU-STQMWFEESA-N	0	0	334.424	0.541	10	70		ECIERN
CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161312036	436887978	/nfs/dbraw/zinc/88/79/78/436887978.db2.gz	ORDAQBZCBJVMNI-ZIAGYGMSSA-N	0	0	348.451	0.931	10	70		ECIERN
CNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)co1	ZINC000159758560	530025080	/nfs/dbraw/zinc/02/50/80/530025080.db2.gz	JPBCWLUNEHQJCF-WFASDCNBSA-N	0	0	342.417	0.955	10	70		ECIERN
CNC(=O)[C@@H]1CCCN1C(=O)NCc1cn(C)nc1C(F)(F)F	ZINC000160184595	529902576	/nfs/dbraw/zinc/90/25/76/529902576.db2.gz	PPDGCVBZEBQDEM-VIFPVBQESA-N	0	0	333.314	0.859	10	70		ECIERN
CCc1nc2n(n1)C[C@H](NC(=O)NC[C@](C)(O)CSC)CC2	ZINC000160065672	164802342	/nfs/dbraw/zinc/80/23/42/164802342.db2.gz	OIUNLGGVZFRRLG-YGRLFVJLSA-N	0	0	327.454	0.569	10	70		ECIERN
C[C@@H](NC(=O)[C@H]1COCCN1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000160754092	263147587	/nfs/dbraw/zinc/14/75/87/263147587.db2.gz	VVBRZUHQYVRXAM-BXKDBHETSA-N	0	0	330.381	0.395	10	70		ECIERN
Cn1cnc2cc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)cnc21	ZINC000159987466	436866167	/nfs/dbraw/zinc/86/61/67/436866167.db2.gz	HIBCIJYOKNUUPU-LLVKDONJSA-N	0	0	337.405	0.122	10	70		ECIERN
Cc1csc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)n1	ZINC000161172505	436884946	/nfs/dbraw/zinc/88/49/46/436884946.db2.gz	VJIAYICESQGWHC-GFCCVEGCSA-N	0	0	347.448	0.890	10	70		ECIERN
COc1ncncc1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000161176568	436885163	/nfs/dbraw/zinc/88/51/63/436885163.db2.gz	HIFNGHWHUUWCBO-UHFFFAOYSA-N	0	0	345.407	0.959	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ccccn2)CC1	ZINC000161231565	436886332	/nfs/dbraw/zinc/88/63/32/436886332.db2.gz	ADGXZZUFOSPBJX-ZDUSSCGKSA-N	0	0	327.392	0.520	10	70		ECIERN
CC(=O)N1CCOC[C@@H]1C(=O)NCc1nncn1-c1ccccc1	ZINC000159935708	436865258	/nfs/dbraw/zinc/86/52/58/436865258.db2.gz	YLTUKJDTQGVSOT-CQSZACIVSA-N	0	0	329.360	0.131	10	70		ECIERN
CCOCC[N@@H+]1CCN(CCc2cn(CC(=O)OC)nn2)C[C@@H]1C	ZINC000159924138	436866142	/nfs/dbraw/zinc/86/61/42/436866142.db2.gz	VPKWYPQMLMDMKO-AWEZNQCLSA-N	0	0	339.440	0.036	10	70		ECIERN
Cc1nc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(=O)[nH]c1C	ZINC000160474761	436872245	/nfs/dbraw/zinc/87/22/45/436872245.db2.gz	OOYJPZAIXNLWDD-GFCCVEGCSA-N	0	0	328.376	0.576	10	70		ECIERN
C[C@@H](O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1	ZINC000160863481	436878830	/nfs/dbraw/zinc/87/88/30/436878830.db2.gz	HNXBFTFIMUKLOV-SECBINFHSA-N	0	0	325.390	0.638	10	70		ECIERN
C[C@H](CNC(=O)CCCNC(=O)c1cccnc1)N1CCOCC1	ZINC000161200615	436885554	/nfs/dbraw/zinc/88/55/54/436885554.db2.gz	UIBFXHVEUDRCCV-CQSZACIVSA-N	0	0	334.420	0.429	10	70		ECIERN
Cc1ccoc1C(=O)NCCCNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161234173	436885913	/nfs/dbraw/zinc/88/59/13/436885913.db2.gz	AFWMJPRFRDPGLY-LBPRGKRZSA-N	0	0	346.391	0.614	10	70		ECIERN
CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161312170	436886920	/nfs/dbraw/zinc/88/69/20/436886920.db2.gz	ORDAQBZCBJVMNI-KBPBESRZSA-N	0	0	348.451	0.931	10	70		ECIERN
Cc1cccc(OC[C@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000161022110	436883773	/nfs/dbraw/zinc/88/37/73/436883773.db2.gz	WHFUHSSVXHOIEY-UONOGXRCSA-N	0	0	345.403	0.640	10	70		ECIERN
COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCCC[C@@H]1O)CC2	ZINC000161177388	436885343	/nfs/dbraw/zinc/88/53/43/436885343.db2.gz	JCRJMSKVZJQHJU-UPJWGTAASA-N	0	0	337.424	0.590	10	70		ECIERN
CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H](O)C(C)C)CC2	ZINC000160901735	530033479	/nfs/dbraw/zinc/03/34/79/530033479.db2.gz	MKBYAJOOOGXOIT-CQSZACIVSA-N	0	0	326.418	0.891	10	70		ECIERN
Cc1nc2c(cnn2C)c(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n1	ZINC000160086555	225335174	/nfs/dbraw/zinc/33/51/74/225335174.db2.gz	SSAAGNVIDWZVAL-AWEZNQCLSA-N	0	0	346.435	0.727	10	70		ECIERN
Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1	ZINC000160415458	436869742	/nfs/dbraw/zinc/86/97/42/436869742.db2.gz	ZHOBVBPJKYOMMX-JTQLQIEISA-N	0	0	326.784	0.429	10	70		ECIERN
CS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000160944723	436882316	/nfs/dbraw/zinc/88/23/16/436882316.db2.gz	NOZAETUDNWEDBB-NSHDSACASA-N	0	0	335.389	0.818	10	70		ECIERN
C[C@H](NC(=O)[C@@H]1COCCN1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000160753689	263147573	/nfs/dbraw/zinc/14/75/73/263147573.db2.gz	VVBRZUHQYVRXAM-CABZTGNLSA-N	0	0	330.381	0.395	10	70		ECIERN
Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)nc3)CCO2)c1	ZINC000159455619	225222134	/nfs/dbraw/zinc/22/21/34/225222134.db2.gz	KYMFVSAEHQAXAT-ZDUSSCGKSA-N	0	0	347.350	0.592	10	70		ECIERN
CCC[C@H](C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)[NH+](C)C	ZINC000159747884	436863031	/nfs/dbraw/zinc/86/30/31/436863031.db2.gz	QQZLGUZZCZXAJE-HUUCEWRRSA-N	0	0	326.485	0.776	10	70		ECIERN
CC(C)[C@@H](O)CNC(=O)[C@H]1CCC[C@H]1C(=O)NC[C@@H](O)C(C)C	ZINC000160000595	436865580	/nfs/dbraw/zinc/86/55/80/436865580.db2.gz	XLTVHNCTYHYCIN-NMWPEEMBSA-N	0	0	328.453	0.669	10	70		ECIERN
CCCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1	ZINC000160149144	527949690	/nfs/dbraw/zinc/94/96/90/527949690.db2.gz	LHOCNTNLLGWPOI-AWEZNQCLSA-N	0	0	332.404	0.719	10	70		ECIERN
CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160985620	533464252	/nfs/dbraw/zinc/46/42/52/533464252.db2.gz	PXVGDDUEIGGXHT-SNVBAGLBSA-N	0	0	335.389	0.818	10	70		ECIERN
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161076458	436884048	/nfs/dbraw/zinc/88/40/48/436884048.db2.gz	MOXYGJGJDCATRU-QWHCGFSZSA-N	0	0	334.424	0.541	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(Cc2ccncc2)CC1	ZINC000161339164	436887477	/nfs/dbraw/zinc/88/74/77/436887477.db2.gz	KRKHXHITVRLERO-OAHLLOKOSA-N	0	0	341.419	0.515	10	70		ECIERN
Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1-n1cnnn1	ZINC000161039888	436883669	/nfs/dbraw/zinc/88/36/69/436883669.db2.gz	KAZZZBJYVSAKQM-LBPRGKRZSA-N	0	0	339.363	0.699	10	70		ECIERN
CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161073540	436884295	/nfs/dbraw/zinc/88/42/95/436884295.db2.gz	YYLZOHBGHNDFOH-CYBMUJFWSA-N	0	0	334.424	0.493	10	70		ECIERN
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1c[nH]c2ncnn2c1=O	ZINC000217386791	536475868	/nfs/dbraw/zinc/47/58/68/536475868.db2.gz	HFTYMTWDFVOEMR-UHFFFAOYSA-N	0	0	349.354	0.876	10	70		ECIERN
Cn1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCS2(=O)=O)cn1	ZINC000160182530	545847977	/nfs/dbraw/zinc/84/79/77/545847977.db2.gz	FXZRKMBFFVGTCW-STQMWFEESA-N	0	0	326.422	0.844	10	70		ECIERN
O=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@H]1CCc2ncnn2C1	ZINC000160965163	436882231	/nfs/dbraw/zinc/88/22/31/436882231.db2.gz	UVORWDJRLNHWMM-QWHCGFSZSA-N	0	0	349.366	0.471	10	70		ECIERN
COc1ccc([C@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1	ZINC000161033287	533200764	/nfs/dbraw/zinc/20/07/64/533200764.db2.gz	ZIILTKCZTSACMC-TZMCWYRMSA-N	0	0	331.376	0.634	10	70		ECIERN
O=C1NC[C@H]2CN(c3ccnc4c(F)cc(F)cc34)CCN2C1=O	ZINC000159872999	436866928	/nfs/dbraw/zinc/86/69/28/436866928.db2.gz	KKAYOZHJSIVJDD-JTQLQIEISA-N	0	0	332.310	0.660	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCCN(CC(F)(F)F)CC1	ZINC000161102072	436883847	/nfs/dbraw/zinc/88/38/47/436883847.db2.gz	VMCVHMCOTUKNAL-LLVKDONJSA-N	0	0	346.357	0.873	10	70		ECIERN
CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161207377	436886468	/nfs/dbraw/zinc/88/64/68/436886468.db2.gz	IHTXHFIZXHITSW-ZIAGYGMSSA-N	0	0	348.451	0.931	10	70		ECIERN
CC1(C)CN(C(=O)Cn2ncc(=O)c3ccccc32)CCS1(=O)=O	ZINC000160155503	529081220	/nfs/dbraw/zinc/08/12/20/529081220.db2.gz	DRYXEMPHYCWEMD-UHFFFAOYSA-N	0	0	349.412	0.432	10	70		ECIERN
C[C@@H]1CN(S(=O)(=O)N2CCC(Cn3cccn3)CC2)C[C@@H](C)O1	ZINC000159411348	164799666	/nfs/dbraw/zinc/79/96/66/164799666.db2.gz	VAMDFGMQVDBOJW-ZIAGYGMSSA-N	0	0	342.465	0.949	10	70		ECIERN
O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@H]1CCc2ncnn2C1	ZINC000160965264	436880852	/nfs/dbraw/zinc/88/08/52/436880852.db2.gz	UVORWDJRLNHWMM-STQMWFEESA-N	0	0	349.366	0.471	10	70		ECIERN
COc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1	ZINC000161033401	436882969	/nfs/dbraw/zinc/88/29/69/436882969.db2.gz	ZIILTKCZTSACMC-OCCSQVGLSA-N	0	0	331.376	0.634	10	70		ECIERN
Cc1cc(CN2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)on1	ZINC000161227870	436886033	/nfs/dbraw/zinc/88/60/33/436886033.db2.gz	HFXGQIXSZHGMRZ-CYBMUJFWSA-N	0	0	345.407	0.417	10	70		ECIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000159723962	164801402	/nfs/dbraw/zinc/80/14/02/164801402.db2.gz	VLTUGQQCIVMGKE-DGCLKSJQSA-N	0	0	335.383	0.719	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(Cc2ccccn2)CC1	ZINC000160329611	225389018	/nfs/dbraw/zinc/38/90/18/225389018.db2.gz	UKHUCVFFTHOTEE-OAHLLOKOSA-N	0	0	341.419	0.515	10	70		ECIERN
CCCCOCCNC(=O)CN1CCOC[C@H]1c1nc(C)no1	ZINC000161097108	436882999	/nfs/dbraw/zinc/88/29/99/436882999.db2.gz	KJDGNMXMIKYALY-ZDUSSCGKSA-N	0	0	326.397	0.684	10	70		ECIERN
COCCN(Cc1cccnc1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161130139	436883982	/nfs/dbraw/zinc/88/39/82/436883982.db2.gz	JXDXOMURUBMZDN-AWEZNQCLSA-N	0	0	330.392	0.846	10	70		ECIERN
COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1O)CC2	ZINC000161177146	164806574	/nfs/dbraw/zinc/80/65/74/164806574.db2.gz	JCRJMSKVZJQHJU-XQQFMLRXSA-N	0	0	337.424	0.590	10	70		ECIERN
CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161315926	436887219	/nfs/dbraw/zinc/88/72/19/436887219.db2.gz	HLKYFNRHGBBLRW-OLZOCXBDSA-N	0	0	334.424	0.683	10	70		ECIERN
CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161315807	436887455	/nfs/dbraw/zinc/88/74/55/436887455.db2.gz	HLKYFNRHGBBLRW-QWHCGFSZSA-N	0	0	334.424	0.683	10	70		ECIERN
C[C@@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)N1CCOCC1	ZINC000159978199	534033195	/nfs/dbraw/zinc/03/31/95/534033195.db2.gz	BXTNMMUGYDTHLS-JTQLQIEISA-N	0	0	332.447	0.602	10	70		ECIERN
CNC(=O)[C@H]1CCCN1C(=O)NCc1cn(C)nc1C(F)(F)F	ZINC000160184736	529923708	/nfs/dbraw/zinc/92/37/08/529923708.db2.gz	PPDGCVBZEBQDEM-SECBINFHSA-N	0	0	333.314	0.859	10	70		ECIERN
CCC[C@H](C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)[NH+](C)C	ZINC000159747605	436862319	/nfs/dbraw/zinc/86/23/19/436862319.db2.gz	QQZLGUZZCZXAJE-LSDHHAIUSA-N	0	0	326.485	0.776	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(Cc2ccncc2)CC1	ZINC000161339285	436888365	/nfs/dbraw/zinc/88/83/65/436888365.db2.gz	KRKHXHITVRLERO-HNNXBMFYSA-N	0	0	341.419	0.515	10	70		ECIERN
Cn1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCCS2(=O)=O)cn1	ZINC000160182793	545847184	/nfs/dbraw/zinc/84/71/84/545847184.db2.gz	FXZRKMBFFVGTCW-OLZOCXBDSA-N	0	0	326.422	0.844	10	70		ECIERN
CN1CCO[C@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1	ZINC000160072684	529789488	/nfs/dbraw/zinc/78/94/88/529789488.db2.gz	ZFMZCDRINLVKBY-MRXNPFEDSA-N	0	0	333.436	0.239	10	70		ECIERN
CCCCOCCNC(=O)CN1CCOC[C@@H]1c1nc(C)no1	ZINC000161096953	436883414	/nfs/dbraw/zinc/88/34/14/436883414.db2.gz	KJDGNMXMIKYALY-CYBMUJFWSA-N	0	0	326.397	0.684	10	70		ECIERN
O=C(NC[C@H](O)CN1CCOCC1)c1cc(F)cc2cccnc21	ZINC000159827730	534624568	/nfs/dbraw/zinc/62/45/68/534624568.db2.gz	MRQTYNKOEFGOJG-AWEZNQCLSA-N	0	0	333.363	0.797	10	70		ECIERN
CNC(=O)[C@@H]1CCCN1C(=O)NCCn1c2ccccc2[nH]c1=O	ZINC000159592278	206252851	/nfs/dbraw/zinc/25/28/51/206252851.db2.gz	AHYBWEFMORXBEN-ZDUSSCGKSA-N	0	0	331.376	0.250	10	70		ECIERN
CNC(=O)[C@H]1CCCN1C(=O)NCCn1c2ccccc2[nH]c1=O	ZINC000159592489	206252990	/nfs/dbraw/zinc/25/29/90/206252990.db2.gz	AHYBWEFMORXBEN-CYBMUJFWSA-N	0	0	331.376	0.250	10	70		ECIERN
CCC[C@@H](O)CNC(=O)[C@H]1CCC[C@H]1C(=O)NC[C@@H](O)CCC	ZINC000160023330	436865296	/nfs/dbraw/zinc/86/52/96/436865296.db2.gz	FKCGVUWUBSKRMI-PYHGIMPFSA-N	0	0	328.453	0.957	10	70		ECIERN
Cc1noc([C@H]2COCCN2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1	ZINC000160863322	436878860	/nfs/dbraw/zinc/87/88/60/436878860.db2.gz	MPFAFWJVIUOBRU-QWHCGFSZSA-N	0	0	344.437	0.423	10	70		ECIERN
CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1c(C)onc1CC)CC2	ZINC000160954575	436881858	/nfs/dbraw/zinc/88/18/58/436881858.db2.gz	XBHTVNMBUIVQHD-JTQLQIEISA-N	0	0	346.391	0.769	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000160955743	436882278	/nfs/dbraw/zinc/88/22/78/436882278.db2.gz	XAFYUTXTNGBOPV-LBPRGKRZSA-N	0	0	347.375	0.608	10	70		ECIERN
COC(=O)CCCS(=O)(=O)N1CCC(Cn2cccn2)CC1	ZINC000159403488	206244473	/nfs/dbraw/zinc/24/44/73/206244473.db2.gz	QXTKIQPOUGUCCJ-UHFFFAOYSA-N	0	0	329.422	0.878	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(Cc2ccccn2)CC1	ZINC000160329753	206290742	/nfs/dbraw/zinc/29/07/42/206290742.db2.gz	UKHUCVFFTHOTEE-HNNXBMFYSA-N	0	0	341.419	0.515	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCCN(CC(F)(F)F)CC1	ZINC000161102197	436882995	/nfs/dbraw/zinc/88/29/95/436882995.db2.gz	VMCVHMCOTUKNAL-NSHDSACASA-N	0	0	346.357	0.873	10	70		ECIERN
CC(C)[C@@H](Nc1nn2c(nccc2=O)s1)C(=O)N1CCOCC1	ZINC000159595092	436861067	/nfs/dbraw/zinc/86/10/67/436861067.db2.gz	HGNHTJDZZQOHIK-LLVKDONJSA-N	0	0	337.405	0.446	10	70		ECIERN
O=C(c1c[nH]c2ccccc12)N1CSC[C@H]1C(=O)N1CC(O)C1	ZINC000161474081	436892175	/nfs/dbraw/zinc/89/21/75/436892175.db2.gz	NGIHOFZEVMJSFW-AWEZNQCLSA-N	0	0	331.397	0.886	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000160957146	206320012	/nfs/dbraw/zinc/32/00/12/206320012.db2.gz	BWNGYYXFKKTFSI-GFCCVEGCSA-N	0	0	344.375	0.354	10	70		ECIERN
Cc1cccc(OC[C@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000161021919	206324274	/nfs/dbraw/zinc/32/42/74/206324274.db2.gz	WHFUHSSVXHOIEY-ZIAGYGMSSA-N	0	0	345.403	0.640	10	70		ECIERN
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161076341	206326612	/nfs/dbraw/zinc/32/66/12/206326612.db2.gz	MOXYGJGJDCATRU-CHWSQXEVSA-N	0	0	334.424	0.541	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000160808096	436880272	/nfs/dbraw/zinc/88/02/72/436880272.db2.gz	ZWAFVEAYRTXWCA-GFCCVEGCSA-N	0	0	336.392	0.417	10	70		ECIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ncccc2F)C1	ZINC000159724104	436863851	/nfs/dbraw/zinc/86/38/51/436863851.db2.gz	VLTUGQQCIVMGKE-AAEUAGOBSA-N	0	0	335.383	0.719	10	70		ECIERN
COCCN(C)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159381536	436859150	/nfs/dbraw/zinc/85/91/50/436859150.db2.gz	APCCKTCIWYSYHK-NSHDSACASA-N	0	0	331.442	0.129	10	70		ECIERN
Cn1cc([C@H]2CCCN2C(=O)NC[C@H]2CCCS2(=O)=O)cn1	ZINC000160182938	545847878	/nfs/dbraw/zinc/84/78/78/545847878.db2.gz	FXZRKMBFFVGTCW-CHWSQXEVSA-N	0	0	326.422	0.844	10	70		ECIERN
C[C@H]1CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCS1(=O)=O	ZINC000160719921	206309783	/nfs/dbraw/zinc/30/97/83/206309783.db2.gz	VWFMRKYABNZKHO-VIFPVBQESA-N	0	0	339.421	0.498	10	70		ECIERN
Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161171012	206333541	/nfs/dbraw/zinc/33/35/41/206333541.db2.gz	NMGGYIOBBVEHPL-NSHDSACASA-N	0	0	339.363	0.699	10	70		ECIERN
Cc1noc([C@@H]2COCCN2CC(=O)NCCOCCC(C)C)n1	ZINC000160783576	436879804	/nfs/dbraw/zinc/87/98/04/436879804.db2.gz	GMNKQZKCSVLQKC-AWEZNQCLSA-N	0	0	340.424	0.930	10	70		ECIERN
CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161403808	436889385	/nfs/dbraw/zinc/88/93/85/436889385.db2.gz	VRHMSJNNYDIEDA-LLVKDONJSA-N	0	0	331.424	0.951	10	70		ECIERN
Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1	ZINC000160415343	206296328	/nfs/dbraw/zinc/29/63/28/206296328.db2.gz	ZHOBVBPJKYOMMX-SNVBAGLBSA-N	0	0	326.784	0.429	10	70		ECIERN
CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161315682	206340281	/nfs/dbraw/zinc/34/02/81/206340281.db2.gz	HLKYFNRHGBBLRW-CHWSQXEVSA-N	0	0	334.424	0.683	10	70		ECIERN
Cn1ccnc1N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000160838928	436879126	/nfs/dbraw/zinc/87/91/26/436879126.db2.gz	NGWGZFSKEXHAJM-UHFFFAOYSA-N	0	0	325.376	0.664	10	70		ECIERN
CNS(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)co1	ZINC000159758416	530025089	/nfs/dbraw/zinc/02/50/89/530025089.db2.gz	JPBCWLUNEHQJCF-SWLSCSKDSA-N	0	0	342.417	0.955	10	70		ECIERN
CC(=O)N1CCOC[C@H]1C(=O)NCc1nncn1-c1ccccc1	ZINC000159935831	436865474	/nfs/dbraw/zinc/86/54/74/436865474.db2.gz	YLTUKJDTQGVSOT-AWEZNQCLSA-N	0	0	329.360	0.131	10	70		ECIERN
Cc1noc([C@H]2COCCN2CC(=O)NCCOCCC(C)C)n1	ZINC000160783682	436879793	/nfs/dbraw/zinc/87/97/93/436879793.db2.gz	GMNKQZKCSVLQKC-CQSZACIVSA-N	0	0	340.424	0.930	10	70		ECIERN
COc1ccc([C@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1	ZINC000161033518	436882698	/nfs/dbraw/zinc/88/26/98/436882698.db2.gz	ZIILTKCZTSACMC-GXTWGEPZSA-N	0	0	331.376	0.634	10	70		ECIERN
Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000161022023	436884231	/nfs/dbraw/zinc/88/42/31/436884231.db2.gz	WHFUHSSVXHOIEY-KGLIPLIRSA-N	0	0	345.403	0.640	10	70		ECIERN
CCCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161207750	436885186	/nfs/dbraw/zinc/88/51/86/436885186.db2.gz	IHTXHFIZXHITSW-KBPBESRZSA-N	0	0	348.451	0.931	10	70		ECIERN
CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1	ZINC000160952691	533447485	/nfs/dbraw/zinc/44/74/85/533447485.db2.gz	RFMUUXCUTVBSMX-LLVKDONJSA-N	0	0	335.389	0.818	10	70		ECIERN
O=C(NC[C@@H](O)CN1CCOCC1)c1cc(F)cc2cccnc21	ZINC000159827859	225285527	/nfs/dbraw/zinc/28/55/27/225285527.db2.gz	MRQTYNKOEFGOJG-CQSZACIVSA-N	0	0	333.363	0.797	10	70		ECIERN
CCC[C@@H](C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)[NH+](C)C	ZINC000159747725	436863756	/nfs/dbraw/zinc/86/37/56/436863756.db2.gz	QQZLGUZZCZXAJE-CABCVRRESA-N	0	0	326.485	0.776	10	70		ECIERN
CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1c(C)onc1CC)CC2	ZINC000160954442	164807355	/nfs/dbraw/zinc/80/73/55/164807355.db2.gz	XBHTVNMBUIVQHD-SNVBAGLBSA-N	0	0	346.391	0.769	10	70		ECIERN
Cn1nccc1C1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161345217	225608967	/nfs/dbraw/zinc/60/89/67/225608967.db2.gz	LPHWRHLVBDXLSB-ZDUSSCGKSA-N	0	0	329.408	0.916	10	70		ECIERN
C[C@@H](NC(=O)[C@@H]1COCCN1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000160753813	263147555	/nfs/dbraw/zinc/14/75/55/263147555.db2.gz	VVBRZUHQYVRXAM-SKDRFNHKSA-N	0	0	330.381	0.395	10	70		ECIERN
C[C@@H](CNC(=O)CCCNC(=O)c1cccnc1)N1CCOCC1	ZINC000161200511	436885686	/nfs/dbraw/zinc/88/56/86/436885686.db2.gz	UIBFXHVEUDRCCV-AWEZNQCLSA-N	0	0	334.420	0.429	10	70		ECIERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)CC(C)(C)C	ZINC000159963716	225310236	/nfs/dbraw/zinc/31/02/36/225310236.db2.gz	FSBWTBMXYYUNGY-LLVKDONJSA-N	0	0	337.424	0.928	10	70		ECIERN
Cc1noc([C@@H]2COCCN2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1	ZINC000160863195	436879580	/nfs/dbraw/zinc/87/95/80/436879580.db2.gz	MPFAFWJVIUOBRU-STQMWFEESA-N	0	0	344.437	0.423	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(Cc2cccnc2)CC1	ZINC000161099140	436884089	/nfs/dbraw/zinc/88/40/89/436884089.db2.gz	UZDYQBIBBXBHKJ-OAHLLOKOSA-N	0	0	341.419	0.515	10	70		ECIERN
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161076587	528427564	/nfs/dbraw/zinc/42/75/64/528427564.db2.gz	MOXYGJGJDCATRU-OLZOCXBDSA-N	0	0	334.424	0.541	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)c1cnn(-c2ccc(F)cc2)n1	ZINC000159972811	284241479	/nfs/dbraw/zinc/24/14/79/284241479.db2.gz	QAVYMIFLZFYJPO-NSHDSACASA-N	0	0	327.323	0.743	10	70		ECIERN
Cn1c2[nH]c(CN3CCC(c4cc[nH]n4)CC3)nc2c(=O)n(C)c1=O	ZINC000160552306	436875814	/nfs/dbraw/zinc/87/58/14/436875814.db2.gz	MQAQOHXFDCNTKE-UHFFFAOYSA-N	0	0	343.391	0.063	10	70		ECIERN
Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1-n1cnnn1	ZINC000161039766	436882830	/nfs/dbraw/zinc/88/28/30/436882830.db2.gz	KAZZZBJYVSAKQM-GFCCVEGCSA-N	0	0	339.363	0.699	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000160955867	296714994	/nfs/dbraw/zinc/71/49/94/296714994.db2.gz	XAFYUTXTNGBOPV-GFCCVEGCSA-N	0	0	347.375	0.608	10	70		ECIERN
O=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1	ZINC000160964995	436881109	/nfs/dbraw/zinc/88/11/09/436881109.db2.gz	UVORWDJRLNHWMM-CHWSQXEVSA-N	0	0	349.366	0.471	10	70		ECIERN
CC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161175026	436886349	/nfs/dbraw/zinc/88/63/49/436886349.db2.gz	OIXMHXZHSQBBEX-GFCCVEGCSA-N	0	0	334.424	0.493	10	70		ECIERN
CS(=O)(=O)c1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000160985761	533464205	/nfs/dbraw/zinc/46/42/05/533464205.db2.gz	PXVGDDUEIGGXHT-JTQLQIEISA-N	0	0	335.389	0.818	10	70		ECIERN
O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161469509	436892115	/nfs/dbraw/zinc/89/21/15/436892115.db2.gz	JYHIEISJYYDFMA-DOMZBBRYSA-N	0	0	341.371	0.838	10	70		ECIERN
CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1	ZINC000160952807	533447941	/nfs/dbraw/zinc/44/79/41/533447941.db2.gz	RFMUUXCUTVBSMX-NSHDSACASA-N	0	0	335.389	0.818	10	70		ECIERN
O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161469684	164808509	/nfs/dbraw/zinc/80/85/09/164808509.db2.gz	JYHIEISJYYDFMA-WFASDCNBSA-N	0	0	341.371	0.838	10	70		ECIERN
C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)N1CCOCC1	ZINC000160286632	436870839	/nfs/dbraw/zinc/87/08/39/436870839.db2.gz	ZCVOXVVGVFVFSZ-ZDUSSCGKSA-N	0	0	334.411	0.690	10	70		ECIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000160957277	436882323	/nfs/dbraw/zinc/88/23/23/436882323.db2.gz	BWNGYYXFKKTFSI-LBPRGKRZSA-N	0	0	344.375	0.354	10	70		ECIERN
CCOC(=O)c1cnn2c1nccc2C(=O)NCCn1cc(C)cn1	ZINC000161150981	436885316	/nfs/dbraw/zinc/88/53/16/436885316.db2.gz	VBMLDUPPYFNAAA-UHFFFAOYSA-N	0	0	342.359	0.841	10	70		ECIERN
CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H](O)C(C)C)CC2	ZINC000160901852	436881814	/nfs/dbraw/zinc/88/18/14/436881814.db2.gz	MKBYAJOOOGXOIT-AWEZNQCLSA-N	0	0	326.418	0.891	10	70		ECIERN
Cc1cccc(OC[C@@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000161022240	436882855	/nfs/dbraw/zinc/88/28/55/436882855.db2.gz	WHFUHSSVXHOIEY-KBPBESRZSA-N	0	0	345.403	0.640	10	70		ECIERN
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cnc3c(c2)ncn3C)O1	ZINC000161100119	436883231	/nfs/dbraw/zinc/88/32/31/436883231.db2.gz	SULBIOCZTHUJKA-DGCLKSJQSA-N	0	0	331.376	0.334	10	70		ECIERN
CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C)C1	ZINC000161154828	436886086	/nfs/dbraw/zinc/88/60/86/436886086.db2.gz	QTAJPPVTUORZOQ-CABZTGNLSA-N	0	0	331.376	0.070	10	70		ECIERN
O=C(Nc1cccnc1N1CCOCC1)N[C@@H]1CCc2ncnn2C1	ZINC000160971174	225517158	/nfs/dbraw/zinc/51/71/58/225517158.db2.gz	MJICZFLFPZHTKY-GFCCVEGCSA-N	0	0	343.391	0.646	10	70		ECIERN
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)O1	ZINC000161100240	225546563	/nfs/dbraw/zinc/54/65/63/225546563.db2.gz	SULBIOCZTHUJKA-AAEUAGOBSA-N	0	0	331.376	0.334	10	70		ECIERN
Cc1nc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c(=O)[nH]c1C	ZINC000160474905	164804251	/nfs/dbraw/zinc/80/42/51/164804251.db2.gz	OOYJPZAIXNLWDD-LBPRGKRZSA-N	0	0	328.376	0.576	10	70		ECIERN
CC(C)[C@@H](NC(=O)c1cnc2c(c1)ncn2C)C(=O)N1CCOCC1	ZINC000160749457	436877810	/nfs/dbraw/zinc/87/78/10/436877810.db2.gz	OZBPSTVJDFKDKE-CQSZACIVSA-N	0	0	345.403	0.582	10	70		ECIERN
CS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000160944582	436881305	/nfs/dbraw/zinc/88/13/05/436881305.db2.gz	NOZAETUDNWEDBB-LLVKDONJSA-N	0	0	335.389	0.818	10	70		ECIERN
O=C1NC[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)CCN2C1=O	ZINC000159872865	284901675	/nfs/dbraw/zinc/90/16/75/284901675.db2.gz	KKAYOZHJSIVJDD-SNVBAGLBSA-N	0	0	332.310	0.660	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000160952630	436880589	/nfs/dbraw/zinc/88/05/89/436880589.db2.gz	IVSAZJVXWGGMBH-WDEREUQCSA-N	0	0	338.408	0.397	10	70		ECIERN
Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161170881	436885042	/nfs/dbraw/zinc/88/50/42/436885042.db2.gz	NMGGYIOBBVEHPL-LLVKDONJSA-N	0	0	339.363	0.699	10	70		ECIERN
Cn1nccc1C1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161345090	436890243	/nfs/dbraw/zinc/89/02/43/436890243.db2.gz	LPHWRHLVBDXLSB-CYBMUJFWSA-N	0	0	329.408	0.916	10	70		ECIERN
CCn1cc(C2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)cn1	ZINC000159921812	436866964	/nfs/dbraw/zinc/86/69/64/436866964.db2.gz	SBQAKYRJVLTLQN-UHFFFAOYSA-N	0	0	347.419	0.941	10	70		ECIERN
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)O1	ZINC000161099987	436883256	/nfs/dbraw/zinc/88/32/56/436883256.db2.gz	SULBIOCZTHUJKA-WCQYABFASA-N	0	0	331.376	0.334	10	70		ECIERN
Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2CCCS2(=O)=O)cn1	ZINC000160182654	545848453	/nfs/dbraw/zinc/84/84/53/545848453.db2.gz	FXZRKMBFFVGTCW-QWHCGFSZSA-N	0	0	326.422	0.844	10	70		ECIERN
CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@](C)(O)CSC)CC2	ZINC000160065773	436868211	/nfs/dbraw/zinc/86/82/11/436868211.db2.gz	OIUNLGGVZFRRLG-HZMBPMFUSA-N	0	0	327.454	0.569	10	70		ECIERN
C[C@@H]1CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCS1(=O)=O	ZINC000160719785	436876829	/nfs/dbraw/zinc/87/68/29/436876829.db2.gz	VWFMRKYABNZKHO-SECBINFHSA-N	0	0	339.421	0.498	10	70		ECIERN
CCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161151950	436885842	/nfs/dbraw/zinc/88/58/42/436885842.db2.gz	FBMDUYZYOWYCAC-CQSZACIVSA-N	0	0	348.451	0.931	10	70		ECIERN
C[C@H](NC(=O)[C@H]1COCCN1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000160753932	263147578	/nfs/dbraw/zinc/14/75/78/263147578.db2.gz	VVBRZUHQYVRXAM-JOYOIKCWSA-N	0	0	330.381	0.395	10	70		ECIERN
CC1(C)C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c2ccccc2O1	ZINC000159819255	276142222	/nfs/dbraw/zinc/14/22/22/276142222.db2.gz	WKTYIYFYBBHVHJ-SECBINFHSA-N	0	0	330.344	0.678	10	70		ECIERN
C[C@@H]1CN(S(=O)(=O)N2CCC(Cn3cccn3)CC2)C[C@H](C)O1	ZINC000159411099	436859008	/nfs/dbraw/zinc/85/90/08/436859008.db2.gz	VAMDFGMQVDBOJW-OKILXGFUSA-N	0	0	342.465	0.949	10	70		ECIERN
CC(C)C(=O)N1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161073657	436883828	/nfs/dbraw/zinc/88/38/28/436883828.db2.gz	YYLZOHBGHNDFOH-ZDUSSCGKSA-N	0	0	334.424	0.493	10	70		ECIERN
CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161316045	436887242	/nfs/dbraw/zinc/88/72/42/436887242.db2.gz	HLKYFNRHGBBLRW-STQMWFEESA-N	0	0	334.424	0.683	10	70		ECIERN
Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)nc3)CCO2)c1	ZINC000159455748	225222314	/nfs/dbraw/zinc/22/23/14/225222314.db2.gz	KYMFVSAEHQAXAT-CYBMUJFWSA-N	0	0	347.350	0.592	10	70		ECIERN
CC(C)[C@H](NC(=O)c1cnc2c(c1)ncn2C)C(=O)N1CCOCC1	ZINC000160749361	436877801	/nfs/dbraw/zinc/87/78/01/436877801.db2.gz	OZBPSTVJDFKDKE-AWEZNQCLSA-N	0	0	345.403	0.582	10	70		ECIERN
CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@](C)(O)CSC)CC2	ZINC000160065883	164802449	/nfs/dbraw/zinc/80/24/49/164802449.db2.gz	OIUNLGGVZFRRLG-QMTHXVAHSA-N	0	0	327.454	0.569	10	70		ECIERN
CC(C)[C@H](Nc1nn2c(nccc2=O)s1)C(=O)N1CCOCC1	ZINC000159594975	436861103	/nfs/dbraw/zinc/86/11/03/436861103.db2.gz	HGNHTJDZZQOHIK-NSHDSACASA-N	0	0	337.405	0.446	10	70		ECIERN
C[C@H](O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1	ZINC000160863371	436879941	/nfs/dbraw/zinc/87/99/41/436879941.db2.gz	HNXBFTFIMUKLOV-VIFPVBQESA-N	0	0	325.390	0.638	10	70		ECIERN
COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1	ZINC000161033635	225532576	/nfs/dbraw/zinc/53/25/76/225532576.db2.gz	ZIILTKCZTSACMC-JSGCOSHPSA-N	0	0	331.376	0.634	10	70		ECIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000159723840	436863749	/nfs/dbraw/zinc/86/37/49/436863749.db2.gz	VLTUGQQCIVMGKE-YPMHNXCESA-N	0	0	335.383	0.719	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2ccccn2)CC1	ZINC000161231451	436884917	/nfs/dbraw/zinc/88/49/17/436884917.db2.gz	ADGXZZUFOSPBJX-CYBMUJFWSA-N	0	0	327.392	0.520	10	70		ECIERN
CCCCNC(=O)C1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161152057	436885499	/nfs/dbraw/zinc/88/54/99/436885499.db2.gz	FBMDUYZYOWYCAC-AWEZNQCLSA-N	0	0	348.451	0.931	10	70		ECIERN
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000161154715	436886222	/nfs/dbraw/zinc/88/62/22/436886222.db2.gz	QTAJPPVTUORZOQ-SKDRFNHKSA-N	0	0	331.376	0.070	10	70		ECIERN
CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161311893	436887054	/nfs/dbraw/zinc/88/70/54/436887054.db2.gz	ORDAQBZCBJVMNI-UONOGXRCSA-N	0	0	348.451	0.931	10	70		ECIERN
CNS(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)co1	ZINC000159758129	530025045	/nfs/dbraw/zinc/02/50/45/530025045.db2.gz	JPBCWLUNEHQJCF-IUODEOHRSA-N	0	0	342.417	0.955	10	70		ECIERN
CC[C@@H](NC(=O)c1cnc2c(c1)ncn2C)C(=O)N1CCOCC1	ZINC000159952887	436865709	/nfs/dbraw/zinc/86/57/09/436865709.db2.gz	FCWMOQNULWMEER-GFCCVEGCSA-N	0	0	331.376	0.336	10	70		ECIERN
CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)n1	ZINC000160414268	436870943	/nfs/dbraw/zinc/87/09/43/436870943.db2.gz	OJGXLLWLPMSKBK-CYBMUJFWSA-N	0	0	337.424	0.315	10	70		ECIERN
Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000161216369	436886325	/nfs/dbraw/zinc/88/63/25/436886325.db2.gz	UWBOVFVZRKIRPV-GFCCVEGCSA-N	0	0	339.363	0.699	10	70		ECIERN
O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000161469605	436891159	/nfs/dbraw/zinc/89/11/59/436891159.db2.gz	JYHIEISJYYDFMA-SWLSCSKDSA-N	0	0	341.371	0.838	10	70		ECIERN
O=C(c1c[nH]c2ccccc12)N1CSC[C@@H]1C(=O)N1CC(O)C1	ZINC000161473948	436891797	/nfs/dbraw/zinc/89/17/97/436891797.db2.gz	NGIHOFZEVMJSFW-CQSZACIVSA-N	0	0	331.397	0.886	10	70		ECIERN
O=C(COc1ncnc2ccccc21)N1CCn2nc(CO)cc2C1	ZINC000217028300	241232393	/nfs/dbraw/zinc/23/23/93/241232393.db2.gz	WZBJQFYMWXEAIB-UHFFFAOYSA-N	0	0	339.355	0.740	10	70		ECIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ncccc2F)C1	ZINC000159724249	436862904	/nfs/dbraw/zinc/86/29/04/436862904.db2.gz	VLTUGQQCIVMGKE-WCQYABFASA-N	0	0	335.383	0.719	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cccc(O)c2)CC1	ZINC000161103652	436884029	/nfs/dbraw/zinc/88/40/29/436884029.db2.gz	XBZRUBIKHFXHHF-CYBMUJFWSA-N	0	0	342.403	0.830	10	70		ECIERN
C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)N1CCOCC1	ZINC000160286772	436871215	/nfs/dbraw/zinc/87/12/15/436871215.db2.gz	ZCVOXVVGVFVFSZ-CYBMUJFWSA-N	0	0	334.411	0.690	10	70		ECIERN
CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161207617	436885140	/nfs/dbraw/zinc/88/51/40/436885140.db2.gz	IHTXHFIZXHITSW-KGLIPLIRSA-N	0	0	348.451	0.931	10	70		ECIERN
O=C(N[C@@H]1CCc2ncnn2C1)c1cnn(-c2ccc(F)cc2)n1	ZINC000159972672	284121834	/nfs/dbraw/zinc/12/18/34/284121834.db2.gz	QAVYMIFLZFYJPO-LLVKDONJSA-N	0	0	327.323	0.743	10	70		ECIERN
CCc1noc(C)c1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000160952497	436882176	/nfs/dbraw/zinc/88/21/76/436882176.db2.gz	IVSAZJVXWGGMBH-GHMZBOCLSA-N	0	0	338.408	0.397	10	70		ECIERN
Cc1ccoc1C(=O)NCCCNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161234043	436885676	/nfs/dbraw/zinc/88/56/76/436885676.db2.gz	AFWMJPRFRDPGLY-GFCCVEGCSA-N	0	0	346.391	0.614	10	70		ECIERN