smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(-c2cc(C(F)(F)N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)cnc2Cl)cc1	ZINC001164413928	718882136	/nfs/dbraw/zinc/88/21/36/718882136.db2.gz	OEVKAZGBPBWORA-SFHVURJKSA-N	1	0	470.873	5.472	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cnc2Cl)c1	ZINC001164618349	719050487	/nfs/dbraw/zinc/05/04/87/719050487.db2.gz	ASUNEDWUWIBFFL-ILBGXUMGSA-N	1	0	464.947	5.402	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4cc(F)c(F)cc4c(Cl)c2C#N)CC3)cs1	ZINC001164702147	719817125	/nfs/dbraw/zinc/81/71/25/719817125.db2.gz	QZHPBDFFFSHEPX-UHFFFAOYSA-N	1	0	473.980	5.438	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2c(C#N)c(Cl)nc4cccc(C)c42)CC3)cs1	ZINC001164701103	719817276	/nfs/dbraw/zinc/81/72/76/719817276.db2.gz	OAHCRTIRBAYFII-UHFFFAOYSA-N	1	0	452.027	5.468	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)C2	ZINC001164810879	720199426	/nfs/dbraw/zinc/19/94/26/720199426.db2.gz	FHCIWXVMVJQZNP-JTSJOTPCSA-N	1	0	478.640	5.472	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164811351	720204844	/nfs/dbraw/zinc/20/48/44/720204844.db2.gz	GJEWVIPGCWOZQH-WIOPSUGQSA-N	1	0	486.994	5.003	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164814652	720205906	/nfs/dbraw/zinc/20/59/06/720205906.db2.gz	VSSGVIUXCOPCKA-WIOPSUGQSA-N	1	0	486.994	5.003	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164814119	720207144	/nfs/dbraw/zinc/20/71/44/720207144.db2.gz	SORAIUPZJIZSPP-UZUQRXQVSA-N	1	0	495.401	5.143	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164729605	720480013	/nfs/dbraw/zinc/48/00/13/720480013.db2.gz	RZBFFQSQPTXLNT-IZLXSDGUSA-N	1	0	457.581	5.535	20	30		JKEDRO
CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164733369	720548449	/nfs/dbraw/zinc/54/84/49/720548449.db2.gz	MFQBRBOGOXUVIR-HNNXBMFYSA-N	1	0	483.390	5.474	20	30		JKEDRO
CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164733477	720548937	/nfs/dbraw/zinc/54/89/37/720548937.db2.gz	NVUFMYOMKIGFQF-FQEVSTJZSA-N	1	0	474.983	5.335	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CC2	ZINC001164840371	720725830	/nfs/dbraw/zinc/72/58/30/720725830.db2.gz	QAKSNGFLAPHODB-QFIPXVFZSA-N	1	0	490.007	5.054	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)[C@@H]2C	ZINC001164858069	721020303	/nfs/dbraw/zinc/02/03/03/721020303.db2.gz	FTYNQKUTICBZRG-JOCHJYFZSA-N	1	0	476.628	5.905	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)[C@H]2C	ZINC001164862570	721023186	/nfs/dbraw/zinc/02/31/86/721023186.db2.gz	RCPYNLOGEDLNGS-KRWDZBQOSA-N	1	0	484.982	5.436	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)[C@@H]2C	ZINC001164860924	721023543	/nfs/dbraw/zinc/02/35/43/721023543.db2.gz	LURZTERGCDGNPH-CQSZACIVSA-N	1	0	493.389	5.576	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CC2	ZINC001164791973	721495867	/nfs/dbraw/zinc/49/58/67/721495867.db2.gz	HPYAJWYQQLSSAE-UHFFFAOYSA-N	1	0	479.653	6.111	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2	ZINC001164792925	721495900	/nfs/dbraw/zinc/49/59/00/721495900.db2.gz	VNIYBKFLASASQV-UHFFFAOYSA-N	1	0	476.987	5.084	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2	ZINC001164796992	721503794	/nfs/dbraw/zinc/50/37/94/721503794.db2.gz	WFILXPAEWPMLIO-UHFFFAOYSA-N	1	0	474.996	5.070	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)CC2	ZINC001164794854	721504802	/nfs/dbraw/zinc/50/48/02/721504802.db2.gz	DYPLIULJYYLVDB-UHFFFAOYSA-N	1	0	466.416	5.689	20	30		JKEDRO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164911812	721738586	/nfs/dbraw/zinc/73/85/86/721738586.db2.gz	KPAUMOTYVDQPNL-HSZRJFAPSA-N	1	0	471.914	5.032	20	30		JKEDRO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164912573	721739455	/nfs/dbraw/zinc/73/94/55/721739455.db2.gz	NVSGUBFVMVPQSX-HSZRJFAPSA-N	1	0	489.904	5.171	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]21	ZINC001165026984	721832393	/nfs/dbraw/zinc/83/23/93/721832393.db2.gz	QHZHFLWXQUGVPV-FCORRRHLSA-N	1	0	467.951	5.170	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@@H]21	ZINC001165020635	721832603	/nfs/dbraw/zinc/83/26/03/721832603.db2.gz	CWQBWHWTFDCPGO-XWFZLUIHSA-N	1	0	466.416	5.545	20	30		JKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12	ZINC001165030499	721832620	/nfs/dbraw/zinc/83/26/20/721832620.db2.gz	ZJWMKXGRYGWQPK-XTQVGHSUSA-N	1	0	463.988	5.339	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]21	ZINC001165026986	721832654	/nfs/dbraw/zinc/83/26/54/721832654.db2.gz	QHZHFLWXQUGVPV-NFHUAXAMSA-N	1	0	467.951	5.170	20	30		JKEDRO
N#CCCN(c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2)C1CCCC1	ZINC001165018457	721835775	/nfs/dbraw/zinc/83/57/75/721835775.db2.gz	QXMKNICRBOYOOE-UHFFFAOYSA-N	1	0	451.014	5.419	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1	ZINC001164957286	722024602	/nfs/dbraw/zinc/02/46/02/722024602.db2.gz	AUBMABGPADEMKZ-UHFFFAOYSA-N	1	0	485.635	6.175	20	30		JKEDRO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1	ZINC001164963332	722025512	/nfs/dbraw/zinc/02/55/12/722025512.db2.gz	SFFPYJLQQAAVET-UHFFFAOYSA-N	1	0	452.389	5.301	20	30		JKEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1	ZINC001164996453	722212662	/nfs/dbraw/zinc/21/26/62/722212662.db2.gz	NJNBHQZWCCMTFT-VWLOTQADSA-N	1	0	463.944	5.178	20	30		JKEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164997497	722213075	/nfs/dbraw/zinc/21/30/75/722213075.db2.gz	QWIZFTFYZYANFP-RUZDIDTESA-N	1	0	463.944	5.178	20	30		JKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)cc2c1Cl	ZINC001164388023	718816150	/nfs/dbraw/zinc/81/61/50/718816150.db2.gz	MBYWLQFMNBCNSW-QGZVFWFLSA-N	1	0	479.280	5.469	20	30		JKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)cc2c1Cl	ZINC001164414468	718882061	/nfs/dbraw/zinc/88/20/61/718882061.db2.gz	USAXGNKLEZBRBO-OAHLLOKOSA-N	1	0	479.280	5.611	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2	ZINC001164814916	720123264	/nfs/dbraw/zinc/12/32/64/720123264.db2.gz	UFKIJGQXBZKBQI-AMGIVPHBSA-N	1	0	458.631	5.020	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)C2	ZINC001164810876	720198805	/nfs/dbraw/zinc/19/88/05/720198805.db2.gz	FHCIWXVMVJQZNP-JOMNFKBKSA-N	1	0	478.640	5.472	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164729613	720478820	/nfs/dbraw/zinc/47/88/20/720478820.db2.gz	RZBFFQSQPTXLNT-VSGBNLITSA-N	1	0	457.581	5.535	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2	ZINC001164837684	720725963	/nfs/dbraw/zinc/72/59/63/720725963.db2.gz	GMQJSDOILLVIOH-QFIPXVFZSA-N	1	0	490.007	5.054	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2	ZINC001164837683	720726275	/nfs/dbraw/zinc/72/62/75/720726275.db2.gz	GMQJSDOILLVIOH-JOCHJYFZSA-N	1	0	490.007	5.054	20	30		JKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)cc2c1Cl	ZINC001164842431	720741288	/nfs/dbraw/zinc/74/12/88/720741288.db2.gz	DUDMHUUSYVDXOA-UHFFFAOYSA-N	1	0	491.373	5.207	20	30		JKEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc([C@H](C#N)c5ccccc5F)nn4)CC3)CC2)cc1	ZINC001164759552	721044406	/nfs/dbraw/zinc/04/44/06/721044406.db2.gz	ONWWNBCSYKDZSR-RUZDIDTESA-N	1	0	469.608	5.462	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868016	721186849	/nfs/dbraw/zinc/18/68/49/721186849.db2.gz	JJSJZTPADTXLPS-NSOVKSMOSA-N	1	0	487.607	5.162	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868018	721186984	/nfs/dbraw/zinc/18/69/84/721186984.db2.gz	JJSJZTPADTXLPS-VSGBNLITSA-N	1	0	487.607	5.162	20	30		JKEDRO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1F	ZINC001164993797	722201099	/nfs/dbraw/zinc/20/10/99/722201099.db2.gz	BPSVVUXCMTUXHQ-VWLOTQADSA-N	1	0	465.935	5.192	20	30		JKEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164997498	722212956	/nfs/dbraw/zinc/21/29/56/722212956.db2.gz	QWIZFTFYZYANFP-VWLOTQADSA-N	1	0	463.944	5.178	20	30		JKEDRO
C=C1N(C(C)(C)C)C(=O)OC12CC[NH+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2	ZINC000002010309	554008929	/nfs/dbraw/zinc/00/89/29/554008929.db2.gz	OFRYIDMZALXALS-UHFFFAOYSA-N	1	0	468.588	6.476	20	30		JKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)cc2c1Cl	ZINC001164388022	718816221	/nfs/dbraw/zinc/81/62/21/718816221.db2.gz	MBYWLQFMNBCNSW-KRWDZBQOSA-N	1	0	479.280	5.469	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)cnc2Cl)c1	ZINC001164413301	718882150	/nfs/dbraw/zinc/88/21/50/718882150.db2.gz	GZQQNIBOFXPUHG-GOSISDBHSA-N	1	0	470.873	5.472	20	30		JKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)cc2c1Cl	ZINC001164414467	718882160	/nfs/dbraw/zinc/88/21/60/718882160.db2.gz	USAXGNKLEZBRBO-HNNXBMFYSA-N	1	0	479.280	5.611	20	30		JKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)cnc2Cl)cc1	ZINC001164413927	718882184	/nfs/dbraw/zinc/88/21/84/718882184.db2.gz	OEVKAZGBPBWORA-GOSISDBHSA-N	1	0	470.873	5.472	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cnc2Cl)c1	ZINC001164618350	719050538	/nfs/dbraw/zinc/05/05/38/719050538.db2.gz	ASUNEDWUWIBFFL-NOZRDPDXSA-N	1	0	464.947	5.402	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC3)cs1	ZINC001164697987	719816514	/nfs/dbraw/zinc/81/65/14/719816514.db2.gz	CONLKXDVLGKHES-UHFFFAOYSA-N	1	0	481.025	5.194	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164814649	720204751	/nfs/dbraw/zinc/20/47/51/720204751.db2.gz	VSSGVIUXCOPCKA-DHLKQENFSA-N	1	0	486.994	5.003	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164814651	720205453	/nfs/dbraw/zinc/20/54/53/720205453.db2.gz	VSSGVIUXCOPCKA-RDGATRHJSA-N	1	0	486.994	5.003	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164814118	720207604	/nfs/dbraw/zinc/20/76/04/720207604.db2.gz	SORAIUPZJIZSPP-SBUREZEXSA-N	1	0	495.401	5.143	20	30		JKEDRO
CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164733374	720548280	/nfs/dbraw/zinc/54/82/80/720548280.db2.gz	MFQBRBOGOXUVIR-OAHLLOKOSA-N	1	0	483.390	5.474	20	30		JKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12	ZINC001164838009	720730675	/nfs/dbraw/zinc/73/06/75/720730675.db2.gz	PRVXSHBNPDMOBZ-OAQYLSRUSA-N	1	0	461.009	5.328	20	30		JKEDRO
Cc1ccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(C#N)c(Cl)c2c1	ZINC001164836083	720731167	/nfs/dbraw/zinc/73/11/67/720731167.db2.gz	ADEMHYMOHCMFRY-NRFANRHFSA-N	1	0	461.009	5.328	20	30		JKEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc([C@H](C#N)c5ccc(C)cc5)nn4)CC3)CC2)cc1	ZINC001164765434	721041989	/nfs/dbraw/zinc/04/19/89/721041989.db2.gz	PJFQPUWQUFJDAN-HHHXNRCGSA-N	1	0	465.645	5.632	20	30		JKEDRO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164911817	721738407	/nfs/dbraw/zinc/73/84/07/721738407.db2.gz	KPAUMOTYVDQPNL-QHCPKHFHSA-N	1	0	471.914	5.032	20	30		JKEDRO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164912873	721739020	/nfs/dbraw/zinc/73/90/20/721739020.db2.gz	QSIWRXOEHVYFSU-QHCPKHFHSA-N	1	0	488.369	5.546	20	30		JKEDRO
N#CCc1ccc(OCc2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)cc1	ZINC001164993854	722208841	/nfs/dbraw/zinc/20/88/41/722208841.db2.gz	CGQBUVMKSHXCMQ-NDEPHWFRSA-N	1	0	456.565	5.111	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2c(C#N)c(Cl)nc4ccc(F)c(C)c42)CC3)cs1	ZINC001164697278	719817033	/nfs/dbraw/zinc/81/70/33/719817033.db2.gz	BBCJEFZHTOWXAZ-UHFFFAOYSA-N	1	0	470.017	5.607	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)C2	ZINC001164810873	720199406	/nfs/dbraw/zinc/19/94/06/720199406.db2.gz	FHCIWXVMVJQZNP-DLFZDVPBSA-N	1	0	478.640	5.472	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164814107	720206689	/nfs/dbraw/zinc/20/66/89/720206689.db2.gz	SORAIUPZJIZSPP-GAJHUEQPSA-N	1	0	495.401	5.143	20	30		JKEDRO
Cc1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(C#N)c(Cl)c2c1	ZINC001164836088	720730692	/nfs/dbraw/zinc/73/06/92/720730692.db2.gz	ADEMHYMOHCMFRY-OAQYLSRUSA-N	1	0	461.009	5.328	20	30		JKEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc([C@@H](C#N)c5ccc(C)cc5)nn4)CC3)CC2)cc1	ZINC001164765435	721042206	/nfs/dbraw/zinc/04/22/06/721042206.db2.gz	PJFQPUWQUFJDAN-MHZLTWQESA-N	1	0	465.645	5.632	20	30		JKEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc([C@@H](C#N)c5ccccc5F)nn4)CC3)CC2)cc1	ZINC001164759555	721044543	/nfs/dbraw/zinc/04/45/43/721044543.db2.gz	ONWWNBCSYKDZSR-VWLOTQADSA-N	1	0	469.608	5.462	20	30		JKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12	ZINC001164913081	721739432	/nfs/dbraw/zinc/73/94/32/721739432.db2.gz	SGXHWXUFKWYHPM-XMMPIXPASA-N	1	0	467.951	5.201	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@@H]21	ZINC001165020633	721832467	/nfs/dbraw/zinc/83/24/67/721832467.db2.gz	CWQBWHWTFDCPGO-GTCCEBARSA-N	1	0	466.416	5.545	20	30		JKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12	ZINC001165030495	721832479	/nfs/dbraw/zinc/83/24/79/721832479.db2.gz	ZJWMKXGRYGWQPK-WGGBDISSSA-N	1	0	463.988	5.339	20	30		JKEDRO
CSc1nc(-c2ccccc2)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1C#N	ZINC001164692781	719810198	/nfs/dbraw/zinc/81/01/98/719810198.db2.gz	MMDDFZKAYRWUEA-UHFFFAOYSA-N	1	0	476.675	5.137	20	30		JKEDRO
Cc1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c(C#N)c(Cl)c2c1	ZINC001164705424	719908553	/nfs/dbraw/zinc/90/85/53/719908553.db2.gz	BSMROSDIBZOGTC-UHFFFAOYSA-N	1	0	453.011	5.001	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2	ZINC001164814917	720123721	/nfs/dbraw/zinc/12/37/21/720123721.db2.gz	UFKIJGQXBZKBQI-CUNXSJBXSA-N	1	0	458.631	5.020	20	30		JKEDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)CC2	ZINC001164715021	720159059	/nfs/dbraw/zinc/15/90/59/720159059.db2.gz	SDTINDILFSSBCL-IBGZPJMESA-N	1	0	496.442	5.316	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164811345	720204594	/nfs/dbraw/zinc/20/45/94/720204594.db2.gz	GJEWVIPGCWOZQH-RCZVLFRGSA-N	1	0	486.994	5.003	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164811332	720204610	/nfs/dbraw/zinc/20/46/10/720204610.db2.gz	GJEWVIPGCWOZQH-DHLKQENFSA-N	1	0	486.994	5.003	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164729616	720480092	/nfs/dbraw/zinc/48/00/92/720480092.db2.gz	RZBFFQSQPTXLNT-WUFINQPMSA-N	1	0	457.581	5.535	20	30		JKEDRO
CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164733486	720548380	/nfs/dbraw/zinc/54/83/80/720548380.db2.gz	NVUFMYOMKIGFQF-HXUWFJFHSA-N	1	0	474.983	5.335	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164746331	720594476	/nfs/dbraw/zinc/59/44/76/720594476.db2.gz	XWLVQTCZTXZLMW-UHFFFAOYSA-N	1	0	474.612	5.142	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2	ZINC001164838687	720728682	/nfs/dbraw/zinc/72/86/82/720728682.db2.gz	XCIKISWJLZVCEN-FQEVSTJZSA-N	1	0	464.972	5.159	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)[C@H]2C	ZINC001164857922	720967439	/nfs/dbraw/zinc/96/74/39/720967439.db2.gz	IFMOZAIOCJEMFL-SFHVURJKSA-N	1	0	456.619	5.453	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)[C@H]2C	ZINC001164858071	721020927	/nfs/dbraw/zinc/02/09/27/721020927.db2.gz	FTYNQKUTICBZRG-QFIPXVFZSA-N	1	0	476.628	5.905	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)[C@H]2C	ZINC001164861193	721024617	/nfs/dbraw/zinc/02/46/17/721024617.db2.gz	NTNVAUQUISMISH-KRWDZBQOSA-N	1	0	484.982	5.436	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164792150	721490705	/nfs/dbraw/zinc/49/07/05/721490705.db2.gz	HMFHEQOYJMJPTE-UHFFFAOYSA-N	1	0	466.363	5.081	20	30		JKEDRO
CSc1nc(-c2ccccc2)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C#N	ZINC001164795079	721497243	/nfs/dbraw/zinc/49/72/43/721497243.db2.gz	CQIWBTDSSUVTJT-UHFFFAOYSA-N	1	0	470.646	5.013	20	30		JKEDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3cc(F)ccc3c(Cl)c2C#N)CC1	ZINC001165030901	721845251	/nfs/dbraw/zinc/84/52/51/721845251.db2.gz	LTRAOCUTXIMROQ-UHFFFAOYSA-N	1	0	468.960	5.017	20	30		JKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cnc2Cl)cc1	ZINC001164963415	722025001	/nfs/dbraw/zinc/02/50/01/722025001.db2.gz	SXADRSUZTPCZJE-UHFFFAOYSA-N	1	0	493.989	5.706	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)cnc2Cl)c1	ZINC001164388444	718816236	/nfs/dbraw/zinc/81/62/36/718816236.db2.gz	OHDUAXASTPJBJF-IBGZPJMESA-N	1	0	470.873	5.329	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)cnc2Cl)c1	ZINC001164618352	719050136	/nfs/dbraw/zinc/05/01/36/719050136.db2.gz	ASUNEDWUWIBFFL-ZCYQVOJMSA-N	1	0	464.947	5.402	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc(Cl)nc2Oc2ccccc2C#N)CC3)cs1	ZINC001164702866	719816444	/nfs/dbraw/zinc/81/64/44/719816444.db2.gz	TWTBVZITUPIRNO-UHFFFAOYSA-N	1	0	481.025	5.194	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2	ZINC001164814919	720123444	/nfs/dbraw/zinc/12/34/44/720123444.db2.gz	UFKIJGQXBZKBQI-WXVAWEFUSA-N	1	0	458.631	5.020	20	30		JKEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)C2	ZINC001164810867	720199257	/nfs/dbraw/zinc/19/92/57/720199257.db2.gz	FHCIWXVMVJQZNP-DHIFEGFHSA-N	1	0	478.640	5.472	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164729611	720479599	/nfs/dbraw/zinc/47/95/99/720479599.db2.gz	RZBFFQSQPTXLNT-NSOVKSMOSA-N	1	0	457.581	5.535	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164839767	720662168	/nfs/dbraw/zinc/66/21/68/720662168.db2.gz	KCUIJHXSYNUURU-QGZVFWFLSA-N	1	0	481.374	5.065	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CC2	ZINC001164840368	720725731	/nfs/dbraw/zinc/72/57/31/720725731.db2.gz	QAKSNGFLAPHODB-JOCHJYFZSA-N	1	0	490.007	5.054	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2	ZINC001164838688	720729885	/nfs/dbraw/zinc/72/98/85/720729885.db2.gz	XCIKISWJLZVCEN-HXUWFJFHSA-N	1	0	464.972	5.159	20	30		JKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12	ZINC001164838007	720730404	/nfs/dbraw/zinc/73/04/04/720730404.db2.gz	PRVXSHBNPDMOBZ-NRFANRHFSA-N	1	0	461.009	5.328	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)[C@@H]2C	ZINC001164861198	721023468	/nfs/dbraw/zinc/02/34/68/721023468.db2.gz	NTNVAUQUISMISH-QGZVFWFLSA-N	1	0	484.982	5.436	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)[C@H]2C	ZINC001164860919	721023898	/nfs/dbraw/zinc/02/38/98/721023898.db2.gz	LURZTERGCDGNPH-AWEZNQCLSA-N	1	0	493.389	5.576	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868020	721187032	/nfs/dbraw/zinc/18/70/32/721187032.db2.gz	JJSJZTPADTXLPS-WUFINQPMSA-N	1	0	487.607	5.162	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2	ZINC001164797423	721504456	/nfs/dbraw/zinc/50/44/56/721504456.db2.gz	ZVBJICLXVHYEBJ-UHFFFAOYSA-N	1	0	467.951	5.314	20	30		JKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12	ZINC001164795236	721504551	/nfs/dbraw/zinc/50/45/51/721504551.db2.gz	IDTORMUQRABEQY-UHFFFAOYSA-N	1	0	463.988	5.483	20	30		JKEDRO
Cc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c(C#N)c(Cl)c2c1	ZINC001164912216	721739476	/nfs/dbraw/zinc/73/94/76/721739476.db2.gz	MZPVHIMEBOUZFK-XMMPIXPASA-N	1	0	467.951	5.201	20	30		JKEDRO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1	ZINC001165014545	721766940	/nfs/dbraw/zinc/76/69/40/721766940.db2.gz	GPYCDHGLELCDLB-UHFFFAOYSA-N	1	0	460.271	5.316	20	30		JKEDRO
CN(Cc1ccc(C#N)cc1)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2	ZINC001165016965	721837210	/nfs/dbraw/zinc/83/72/10/721837210.db2.gz	GSFNZJVCBMEFAS-UHFFFAOYSA-N	1	0	458.993	5.265	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cnc2Cl)c1	ZINC001164957447	722025078	/nfs/dbraw/zinc/02/50/78/722025078.db2.gz	CCOOMAQVLIUBFE-UHFFFAOYSA-N	1	0	493.989	5.706	20	30		JKEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164996597	722212990	/nfs/dbraw/zinc/21/29/90/722212990.db2.gz	OEKQASUKYZWIJO-VWLOTQADSA-N	1	0	463.944	5.178	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)cnc2Cl)c1	ZINC001164618351	719050301	/nfs/dbraw/zinc/05/03/01/719050301.db2.gz	ASUNEDWUWIBFFL-UKILVPOCSA-N	1	0	464.947	5.402	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4ccc(C)cc4c(Cl)c2C#N)CC3)cs1	ZINC001164700960	719817190	/nfs/dbraw/zinc/81/71/90/719817190.db2.gz	NKNIFXUDCOUVJF-UHFFFAOYSA-N	1	0	452.027	5.468	20	30		JKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12	ZINC001164705911	719909440	/nfs/dbraw/zinc/90/94/40/719909440.db2.gz	FSDNIVFLLNCUJU-UHFFFAOYSA-N	1	0	453.011	5.001	20	30		JKEDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)CC2	ZINC001164715029	720159189	/nfs/dbraw/zinc/15/91/89/720159189.db2.gz	SDTINDILFSSBCL-LJQANCHMSA-N	1	0	496.442	5.316	20	30		JKEDRO
CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164734138	720548405	/nfs/dbraw/zinc/54/84/05/720548405.db2.gz	VYSJPJTXERTHOB-FQEVSTJZSA-N	1	0	474.983	5.335	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2	ZINC001164841946	720692668	/nfs/dbraw/zinc/69/26/68/720692668.db2.gz	KKUCZTTXBNEMEE-OAQYLSRUSA-N	1	0	491.998	5.068	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2	ZINC001164841941	720692750	/nfs/dbraw/zinc/69/27/50/720692750.db2.gz	KKUCZTTXBNEMEE-NRFANRHFSA-N	1	0	491.998	5.068	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2	ZINC001164836904	720731002	/nfs/dbraw/zinc/73/10/02/720731002.db2.gz	IKZJCYBBXXQWHZ-GOSISDBHSA-N	1	0	482.962	5.298	20	30		JKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)cnc2Cl)cc1	ZINC001164843936	720741779	/nfs/dbraw/zinc/74/17/79/720741779.db2.gz	MULRWWGLHVBQFX-UHFFFAOYSA-N	1	0	482.966	5.067	20	30		JKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12	ZINC001164913080	721739054	/nfs/dbraw/zinc/73/90/54/721739054.db2.gz	SGXHWXUFKWYHPM-DEOSSOPVSA-N	1	0	467.951	5.201	20	30		JKEDRO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164912574	721739307	/nfs/dbraw/zinc/73/93/07/721739307.db2.gz	NVSGUBFVMVPQSX-QHCPKHFHSA-N	1	0	489.904	5.171	20	30		JKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12	ZINC001165030490	721832537	/nfs/dbraw/zinc/83/25/37/721832537.db2.gz	ZJWMKXGRYGWQPK-KPDCDPCYSA-N	1	0	463.988	5.339	20	30		JKEDRO
N#CCCN(c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O)C1CCCC1	ZINC001165018421	721835670	/nfs/dbraw/zinc/83/56/70/721835670.db2.gz	PRKLRKZUVQFEOA-UHFFFAOYSA-N	1	0	464.997	5.059	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c(Cl)nn2)c1	ZINC001164965063	722024981	/nfs/dbraw/zinc/02/49/81/722024981.db2.gz	ZKYZDKBJKPCVLJ-UHFFFAOYSA-N	1	0	494.977	5.101	20	30		JKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c(Cl)nn2)cc1	ZINC001164959584	722025065	/nfs/dbraw/zinc/02/50/65/722025065.db2.gz	HZYGKCUFCNZOBY-UHFFFAOYSA-N	1	0	494.977	5.101	20	30		JKEDRO
N#Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2cc(-c3ccccc3)sc21	ZINC001164963864	722056554	/nfs/dbraw/zinc/05/65/54/722056554.db2.gz	OSRUZTHZTDQEJH-UHFFFAOYSA-N	1	0	495.652	5.349	20	30		JKEDRO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1F	ZINC001164993796	722200765	/nfs/dbraw/zinc/20/07/65/722200765.db2.gz	BPSVVUXCMTUXHQ-RUZDIDTESA-N	1	0	465.935	5.192	20	30		JKEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164996596	722212810	/nfs/dbraw/zinc/21/28/10/722212810.db2.gz	OEKQASUKYZWIJO-RUZDIDTESA-N	1	0	463.944	5.178	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)cnc2Cl)c1	ZINC001164388448	718816113	/nfs/dbraw/zinc/81/61/13/718816113.db2.gz	OHDUAXASTPJBJF-LJQANCHMSA-N	1	0	470.873	5.329	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)cnc2Cl)c1	ZINC001164413302	718882192	/nfs/dbraw/zinc/88/21/92/718882192.db2.gz	GZQQNIBOFXPUHG-SFHVURJKSA-N	1	0	470.873	5.472	20	30		JKEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC2)CC1	ZINC001164616365	719027599	/nfs/dbraw/zinc/02/75/99/719027599.db2.gz	CBLKAPZKEXYISC-UHFFFAOYSA-N	1	0	474.630	5.079	20	30		JKEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)CC2)CC1	ZINC001164617582	719035580	/nfs/dbraw/zinc/03/55/80/719035580.db2.gz	MFNKRWQUFVDUHH-UHFFFAOYSA-N	1	0	494.639	5.531	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC3)cs1	ZINC001164692759	719809170	/nfs/dbraw/zinc/80/91/70/719809170.db2.gz	MFGDMGZFDKGMJE-UHFFFAOYSA-N	1	0	483.016	5.208	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(COc4ccc(CC#N)cc4)cn2)CC3)cs1	ZINC001164692265	719813925	/nfs/dbraw/zinc/81/39/25/719813925.db2.gz	PBOKXCUEJFYPTH-UHFFFAOYSA-N	1	0	473.646	5.127	20	30		JKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2c(C#N)c(Cl)nc4cccc(Cl)c42)CC3)cs1	ZINC001164698601	719816975	/nfs/dbraw/zinc/81/69/75/719816975.db2.gz	FHLXQBZVTVXDSP-UHFFFAOYSA-N	1	0	472.445	5.813	20	30		JKEDRO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164707319	719909134	/nfs/dbraw/zinc/90/91/34/719909134.db2.gz	PHRDMPMYWREEJK-UHFFFAOYSA-N	1	0	473.429	5.346	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2	ZINC001164814913	720123421	/nfs/dbraw/zinc/12/34/21/720123421.db2.gz	UFKIJGQXBZKBQI-AJTFRIOCSA-N	1	0	458.631	5.020	20	30		JKEDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)CC2	ZINC001164714073	720158866	/nfs/dbraw/zinc/15/88/66/720158866.db2.gz	OCSPUGILAPWVSL-FQEVSTJZSA-N	1	0	494.014	5.110	20	30		JKEDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)CC2	ZINC001164714077	720159039	/nfs/dbraw/zinc/15/90/39/720159039.db2.gz	OCSPUGILAPWVSL-HXUWFJFHSA-N	1	0	494.014	5.110	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164814650	720204713	/nfs/dbraw/zinc/20/47/13/720204713.db2.gz	VSSGVIUXCOPCKA-RCZVLFRGSA-N	1	0	486.994	5.003	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164811348	720204727	/nfs/dbraw/zinc/20/47/27/720204727.db2.gz	GJEWVIPGCWOZQH-RDGATRHJSA-N	1	0	486.994	5.003	20	30		JKEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164814117	720206398	/nfs/dbraw/zinc/20/63/98/720206398.db2.gz	SORAIUPZJIZSPP-HXOBKFHXSA-N	1	0	495.401	5.143	20	30		JKEDRO
CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164734139	720548968	/nfs/dbraw/zinc/54/89/68/720548968.db2.gz	VYSJPJTXERTHOB-HXUWFJFHSA-N	1	0	474.983	5.335	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164839759	720661318	/nfs/dbraw/zinc/66/13/18/720661318.db2.gz	KCUIJHXSYNUURU-KRWDZBQOSA-N	1	0	481.374	5.065	20	30		JKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2	ZINC001164836907	720731320	/nfs/dbraw/zinc/73/13/20/720731320.db2.gz	IKZJCYBBXXQWHZ-SFHVURJKSA-N	1	0	482.962	5.298	20	30		JKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)cnc2Cl)c1	ZINC001164844300	720741513	/nfs/dbraw/zinc/74/15/13/720741513.db2.gz	OXUQBGNWPWCNMW-UHFFFAOYSA-N	1	0	482.966	5.067	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)[C@@H]2C	ZINC001164857915	720967036	/nfs/dbraw/zinc/96/70/36/720967036.db2.gz	IFMOZAIOCJEMFL-GOSISDBHSA-N	1	0	456.619	5.453	20	30		JKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)[C@@H]2C	ZINC001164862574	721023639	/nfs/dbraw/zinc/02/36/39/721023639.db2.gz	RCPYNLOGEDLNGS-QGZVFWFLSA-N	1	0	484.982	5.436	20	30		JKEDRO
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868007	721186340	/nfs/dbraw/zinc/18/63/40/721186340.db2.gz	JJSJZTPADTXLPS-IZLXSDGUSA-N	1	0	487.607	5.162	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2	ZINC001164795999	721500853	/nfs/dbraw/zinc/50/08/53/721500853.db2.gz	OUORHICPEQSAAH-UHFFFAOYSA-N	1	0	467.617	5.003	20	30		JKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)CC2	ZINC001164795600	721503598	/nfs/dbraw/zinc/50/35/98/721503598.db2.gz	MKKRUDQOSHNDFV-UHFFFAOYSA-N	1	0	474.996	5.070	20	30		JKEDRO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164912870	721739131	/nfs/dbraw/zinc/73/91/31/721739131.db2.gz	QSIWRXOEHVYFSU-HSZRJFAPSA-N	1	0	488.369	5.546	20	30		JKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12	ZINC001164909130	721739143	/nfs/dbraw/zinc/73/91/43/721739143.db2.gz	CAQPPNDGPGSAAJ-DEOSSOPVSA-N	1	0	485.941	5.340	20	30		JKEDRO
Cc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c(C#N)c(Cl)c2c1	ZINC001164912212	721739502	/nfs/dbraw/zinc/73/95/02/721739502.db2.gz	MZPVHIMEBOUZFK-DEOSSOPVSA-N	1	0	467.951	5.201	20	30		JKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12	ZINC001164909131	721739582	/nfs/dbraw/zinc/73/95/82/721739582.db2.gz	CAQPPNDGPGSAAJ-XMMPIXPASA-N	1	0	485.941	5.340	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@H]21	ZINC001165020637	721832450	/nfs/dbraw/zinc/83/24/50/721832450.db2.gz	CWQBWHWTFDCPGO-ZWDAVXSWSA-N	1	0	466.416	5.545	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@H]21	ZINC001165020625	721832542	/nfs/dbraw/zinc/83/25/42/721832542.db2.gz	CWQBWHWTFDCPGO-DKZVUGQWSA-N	1	0	466.416	5.545	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@@H]21	ZINC001165026985	721832596	/nfs/dbraw/zinc/83/25/96/721832596.db2.gz	QHZHFLWXQUGVPV-IGCHPXFFSA-N	1	0	467.951	5.170	20	30		JKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@@H]21	ZINC001165026783	721832611	/nfs/dbraw/zinc/83/26/11/721832611.db2.gz	QHZHFLWXQUGVPV-BIFSNJIPSA-N	1	0	467.951	5.170	20	30		JKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12	ZINC001165030494	721832639	/nfs/dbraw/zinc/83/26/39/721832639.db2.gz	ZJWMKXGRYGWQPK-NYDSKATKSA-N	1	0	463.988	5.339	20	30		JKEDRO
N#Cc1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2cc(-c3ccccc3)sc21	ZINC001164953147	722018255	/nfs/dbraw/zinc/01/82/55/722018255.db2.gz	SBZWJFJPUWFDEB-UHFFFAOYSA-N	1	0	465.626	5.722	20	30		JKEDRO
N#CCc1ccc(OCc2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)cc1	ZINC001164993846	722209265	/nfs/dbraw/zinc/20/92/65/722209265.db2.gz	CGQBUVMKSHXCMQ-MUUNZHRXSA-N	1	0	456.565	5.111	20	30		JKEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1	ZINC001164996450	722212868	/nfs/dbraw/zinc/21/28/68/722212868.db2.gz	NJNBHQZWCCMTFT-RUZDIDTESA-N	1	0	463.944	5.178	20	30		JKEDRO