smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)C[N+](C)(C)C)c2C)cc1	ZINC000916270586	717193342	/nfs/dbraw/zinc/19/33/42/717193342.db2.gz	JPTKTKGMXNFFCF-UHFFFAOYSA-O	1	0	385.488	2.427	20	50		GEGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948747	609275433	/nfs/dbraw/zinc/27/54/33/609275433.db2.gz	WBBFNQVSORFIGY-CYBMUJFWSA-N	1	0	387.463	2.358	20	50		GEGDRO
Cc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c(OCC[NH+](C)C)c1	ZINC000826290806	608813511	/nfs/dbraw/zinc/81/35/11/608813511.db2.gz	AOTSTUOVCSJJSN-UHFFFAOYSA-N	1	0	396.455	2.264	20	50		GEGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000826446331	607348391	/nfs/dbraw/zinc/34/83/91/607348391.db2.gz	IAWAWKGYWLGFOY-QGZVFWFLSA-N	1	0	377.452	2.222	20	50		GEGDRO
O=C(NNc1cc[nH+]cc1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000826449921	609172999	/nfs/dbraw/zinc/17/29/99/609172999.db2.gz	OXHTYZNQSLEAOB-UHFFFAOYSA-N	1	0	387.403	2.020	20	50		GEGDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815663	720160504	/nfs/dbraw/zinc/16/05/04/720160504.db2.gz	IUPGABGNPWLZNA-JXFKEZNVSA-N	1	0	392.931	2.444	20	50		GEGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000826446380	607345739	/nfs/dbraw/zinc/34/57/39/607345739.db2.gz	JNORLQZLOZCWSX-INIZCTEOSA-N	1	0	395.442	2.361	20	50		GEGDRO
C[NH+](C)Cc1c2ccccc2oc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825870427	607350381	/nfs/dbraw/zinc/35/03/81/607350381.db2.gz	MADBVVMQVKLILK-UHFFFAOYSA-N	1	0	377.408	2.431	20	50		GEGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948411	609157487	/nfs/dbraw/zinc/15/74/87/609157487.db2.gz	LHEPYTPSAKVEAC-ZDUSSCGKSA-N	1	0	387.463	2.358	20	50		GEGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948288	609275453	/nfs/dbraw/zinc/27/54/53/609275453.db2.gz	JLUCUZDXNDXRDA-CYBMUJFWSA-N	1	0	387.463	2.214	20	50		GEGDRO
CC[NH+](CC)CCOc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000825412074	607349357	/nfs/dbraw/zinc/34/93/57/607349357.db2.gz	JHUPZXKVJJHCGY-UHFFFAOYSA-N	1	0	395.467	2.344	20	50		GEGDRO
CC[NH+](CC)CCOc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	ZINC000825413233	607726170	/nfs/dbraw/zinc/72/61/70/607726170.db2.gz	YTAHIVBYXRYYLE-UHFFFAOYSA-N	1	0	395.467	2.344	20	50		GEGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823948675	608094475	/nfs/dbraw/zinc/09/44/75/608094475.db2.gz	UHHTVZXEWDJNPK-LBPRGKRZSA-N	1	0	375.502	2.281	20	50		GEGDRO
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000824498619	609317587	/nfs/dbraw/zinc/31/75/87/609317587.db2.gz	IYTAFLKMWAWCEX-UKRRQHHQSA-N	1	0	384.488	2.146	20	50		GEGDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816275	720190852	/nfs/dbraw/zinc/19/08/52/720190852.db2.gz	KRQPFSSQGLSGCQ-UZLBHIALSA-N	1	0	392.931	2.444	20	50		GEGDRO
O=C(CCl)Nc1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1	ZINC001164736790	720592066	/nfs/dbraw/zinc/59/20/66/720592066.db2.gz	UHBALNCFULGHBK-UHFFFAOYSA-N	1	0	388.903	2.114	20	50		GEGDRO
C[C@H]1CC[C@H](C)[NH+]1CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000824910836	607394368	/nfs/dbraw/zinc/39/43/68/607394368.db2.gz	YQCXLJNMWNMJHY-UWVGGRQHSA-N	1	0	383.378	2.201	20	50		GEGDRO
C[NH+](C)CCCOc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	ZINC000825866457	608811630	/nfs/dbraw/zinc/81/16/30/608811630.db2.gz	YNZXDCCUFUOQSX-UHFFFAOYSA-N	1	0	396.455	2.346	20	50		GEGDRO
C[N+](C)(C)CC(=O)NN=C1c2ccccc2N(Cc2ccccc2Cl)C1=O	ZINC000916270647	717193283	/nfs/dbraw/zinc/19/32/83/717193283.db2.gz	MQBUTSOQZGSUNG-UHFFFAOYSA-O	1	0	385.875	2.413	20	50		GEGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000826448209	607725173	/nfs/dbraw/zinc/72/51/73/607725173.db2.gz	MAEBQEISVGQLPI-KRWDZBQOSA-N	1	0	377.452	2.222	20	50		GEGDRO
C[N+](C)(C)CC(=O)NN=C1CCOc2c(Br)cc(Cl)cc21	ZINC000920361249	717194247	/nfs/dbraw/zinc/19/42/47/717194247.db2.gz	IQGBRWQPWHQFTB-UHFFFAOYSA-O	1	0	375.674	2.412	20	50		GEGDRO
CCC[N@@H+]1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000825326846	607394283	/nfs/dbraw/zinc/39/42/83/607394283.db2.gz	FTOBOGUOORWTRL-ZDUSSCGKSA-N	1	0	383.378	2.203	20	50		GEGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000826448513	607718158	/nfs/dbraw/zinc/71/81/58/607718158.db2.gz	YJDQYSASZZXEEW-UHFFFAOYSA-N	1	0	377.452	2.222	20	50		GEGDRO
O=C(NNc1cc[nH+]cc1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1	ZINC000826449724	609172969	/nfs/dbraw/zinc/17/29/69/609172969.db2.gz	HDGJMYSLIITZQE-UHFFFAOYSA-N	1	0	387.403	2.020	20	50		GEGDRO
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000824498620	609317888	/nfs/dbraw/zinc/31/78/88/609317888.db2.gz	IYTAFLKMWAWCEX-ZFWWWQNUSA-N	1	0	384.488	2.146	20	50		GEGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823948418	608094280	/nfs/dbraw/zinc/09/42/80/608094280.db2.gz	LOGXAUTYHWXASX-LBPRGKRZSA-N	1	0	375.502	2.136	20	50		GEGDRO
COC(=O)c1ccc(COc2ccc(C=NNC(=O)C[N+](C)(C)C)cc2)cc1	ZINC000916270617	717192986	/nfs/dbraw/zinc/19/29/86/717192986.db2.gz	LMGWUMTYZHEKQF-UHFFFAOYSA-O	1	0	384.456	2.209	20	50		GEGDRO
C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000824910835	607394305	/nfs/dbraw/zinc/39/43/05/607394305.db2.gz	YQCXLJNMWNMJHY-NXEZZACHSA-N	1	0	383.378	2.201	20	50		GEGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000826448105	607722033	/nfs/dbraw/zinc/72/20/33/607722033.db2.gz	IUJNRAKGGSXYPK-MRXNPFEDSA-N	1	0	395.442	2.361	20	50		GEGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823948670	608094320	/nfs/dbraw/zinc/09/43/20/608094320.db2.gz	UHHTVZXEWDJNPK-GFCCVEGCSA-N	1	0	375.502	2.281	20	50		GEGDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816274	720190210	/nfs/dbraw/zinc/19/02/10/720190210.db2.gz	KRQPFSSQGLSGCQ-OXQOHEQNSA-N	1	0	392.931	2.444	20	50		GEGDRO
C[NH+](C)Cc1c2ccccc2oc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825870510	607725962	/nfs/dbraw/zinc/72/59/62/607725962.db2.gz	PJYCVZOFEMHOKG-UHFFFAOYSA-N	1	0	377.408	2.431	20	50		GEGDRO
C[NH+]1CCN(c2ccc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)cc2)CC1	ZINC000826038404	608214710	/nfs/dbraw/zinc/21/47/10/608214710.db2.gz	MZXJJPWPSKECEY-UYRXBGFRSA-N	1	0	399.458	2.408	20	50		GEGDRO
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000823954099	609515814	/nfs/dbraw/zinc/51/58/14/609515814.db2.gz	YZZJFNBHBMWMCA-LJQANCHMSA-N	1	0	389.463	2.495	20	50		GEGDRO
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000823948243	609516249	/nfs/dbraw/zinc/51/62/49/609516249.db2.gz	IPUQBAIAJUMLEO-LJQANCHMSA-N	1	0	389.463	2.495	20	50		GEGDRO
O=C(CCl)Nc1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164736997	720579668	/nfs/dbraw/zinc/57/96/68/720579668.db2.gz	XUZOJLXRRBPDOP-UHFFFAOYSA-N	1	0	388.903	2.114	20	50		GEGDRO
CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+](CC)CC	ZINC000825038445	607396130	/nfs/dbraw/zinc/39/61/30/607396130.db2.gz	BRWGOVOCUBIWPS-ZDUSSCGKSA-N	1	0	385.394	2.449	20	50		GEGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000826446330	607348233	/nfs/dbraw/zinc/34/82/33/607348233.db2.gz	IAWAWKGYWLGFOY-KRWDZBQOSA-N	1	0	377.452	2.222	20	50		GEGDRO
CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+](CC)CC	ZINC000825038444	607396020	/nfs/dbraw/zinc/39/60/20/607396020.db2.gz	BRWGOVOCUBIWPS-CYBMUJFWSA-N	1	0	385.394	2.449	20	50		GEGDRO
O=C(NNc1cc[nH+]cc1)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1	ZINC000826449836	609172916	/nfs/dbraw/zinc/17/29/16/609172916.db2.gz	LRWUFINTVKXIDV-UHFFFAOYSA-N	1	0	391.366	2.372	20	50		GEGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000826448104	607721505	/nfs/dbraw/zinc/72/15/05/607721505.db2.gz	IUJNRAKGGSXYPK-INIZCTEOSA-N	1	0	395.442	2.361	20	50		GEGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948410	609157271	/nfs/dbraw/zinc/15/72/71/609157271.db2.gz	LHEPYTPSAKVEAC-CYBMUJFWSA-N	1	0	387.463	2.358	20	50		GEGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948389	609157420	/nfs/dbraw/zinc/15/74/20/609157420.db2.gz	KOBVOOSEPGZJCY-CYBMUJFWSA-N	1	0	387.463	2.214	20	50		GEGDRO
O=C(NNc1cc[nH+]cc1)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1	ZINC000826450167	609172672	/nfs/dbraw/zinc/17/26/72/609172672.db2.gz	ZPGMFIDLIKIDHA-UHFFFAOYSA-N	1	0	387.403	2.020	20	50		GEGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948390	609157255	/nfs/dbraw/zinc/15/72/55/609157255.db2.gz	KOBVOOSEPGZJCY-ZDUSSCGKSA-N	1	0	387.463	2.214	20	50		GEGDRO
O=C(NNc1cc[nH+]cc1)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1	ZINC000826449637	609172762	/nfs/dbraw/zinc/17/27/62/609172762.db2.gz	CBTREQPXCLQHOX-UHFFFAOYSA-N	1	0	387.403	2.020	20	50		GEGDRO
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000824498617	609317610	/nfs/dbraw/zinc/31/76/10/609317610.db2.gz	IYTAFLKMWAWCEX-DZGCQCFKSA-N	1	0	384.488	2.146	20	50		GEGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000826446301	607343387	/nfs/dbraw/zinc/34/33/87/607343387.db2.gz	GVGBXZDLMFJBIM-UHFFFAOYSA-N	1	0	377.452	2.222	20	50		GEGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000826448210	607725359	/nfs/dbraw/zinc/72/53/59/607725359.db2.gz	MAEBQEISVGQLPI-QGZVFWFLSA-N	1	0	377.452	2.222	20	50		GEGDRO
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000823948242	609515864	/nfs/dbraw/zinc/51/58/64/609515864.db2.gz	IPUQBAIAJUMLEO-IBGZPJMESA-N	1	0	389.463	2.495	20	50		GEGDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815671	720159661	/nfs/dbraw/zinc/15/96/61/720159661.db2.gz	IUPGABGNPWLZNA-UZLBHIALSA-N	1	0	392.931	2.444	20	50		GEGDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815668	720159927	/nfs/dbraw/zinc/15/99/27/720159927.db2.gz	IUPGABGNPWLZNA-OXQOHEQNSA-N	1	0	392.931	2.444	20	50		GEGDRO
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000824910834	607394242	/nfs/dbraw/zinc/39/42/42/607394242.db2.gz	YQCXLJNMWNMJHY-AOOOYVTPSA-N	1	0	383.378	2.201	20	50		GEGDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815666	720160259	/nfs/dbraw/zinc/16/02/59/720160259.db2.gz	IUPGABGNPWLZNA-OXJNMPFZSA-N	1	0	392.931	2.444	20	50		GEGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CCC([NH+]2CCCCC2)CC1	ZINC000823281014	606198996	/nfs/dbraw/zinc/19/89/96/606198996.db2.gz	LSNVJQJIZIJGEA-UHFFFAOYSA-N	1	0	384.488	2.290	20	50		GEGDRO
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000823954098	609516468	/nfs/dbraw/zinc/51/64/68/609516468.db2.gz	YZZJFNBHBMWMCA-IBGZPJMESA-N	1	0	389.463	2.495	20	50		GEGDRO
CC(C)[NH+]1CCC(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1	ZINC000824296244	607394380	/nfs/dbraw/zinc/39/43/80/607394380.db2.gz	FTSHZORBMBNXEQ-UHFFFAOYSA-N	1	0	397.405	2.449	20	50		GEGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948748	609275445	/nfs/dbraw/zinc/27/54/45/609275445.db2.gz	WBBFNQVSORFIGY-ZDUSSCGKSA-N	1	0	387.463	2.358	20	50		GEGDRO
CCC[N@@H+]1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000825326845	607394194	/nfs/dbraw/zinc/39/41/94/607394194.db2.gz	FTOBOGUOORWTRL-CYBMUJFWSA-N	1	0	383.378	2.203	20	50		GEGDRO
CCCC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1	ZINC000825282772	607921547	/nfs/dbraw/zinc/92/15/47/607921547.db2.gz	ZRUWQRZHBPRCDG-UHFFFAOYSA-N	1	0	399.499	2.063	20	50		GEGDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816272	720190777	/nfs/dbraw/zinc/19/07/77/720190777.db2.gz	KRQPFSSQGLSGCQ-JXFKEZNVSA-N	1	0	392.931	2.444	20	50		GEGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C2CCCCC2)CC1	ZINC000823280962	606163500	/nfs/dbraw/zinc/16/35/00/606163500.db2.gz	JYGFPLOMDJKHNY-UHFFFAOYSA-N	1	0	384.488	2.290	20	50		GEGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000826446381	607346006	/nfs/dbraw/zinc/34/60/06/607346006.db2.gz	JNORLQZLOZCWSX-MRXNPFEDSA-N	1	0	395.442	2.361	20	50		GEGDRO
O=C(NNc1cc[nH+]cc1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1	ZINC000826449640	609172826	/nfs/dbraw/zinc/17/28/26/609172826.db2.gz	CGQDUZIBAZPRNA-UHFFFAOYSA-N	1	0	387.403	2.020	20	50		GEGDRO
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000824498618	609317844	/nfs/dbraw/zinc/31/78/44/609317844.db2.gz	IYTAFLKMWAWCEX-HIFRSBDPSA-N	1	0	384.488	2.146	20	50		GEGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823948417	608094305	/nfs/dbraw/zinc/09/43/05/608094305.db2.gz	LOGXAUTYHWXASX-GFCCVEGCSA-N	1	0	375.502	2.136	20	50		GEGDRO
C[NH+]1CCN(c2ccc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)cc2)CC1	ZINC000826038403	608214900	/nfs/dbraw/zinc/21/49/00/608214900.db2.gz	MZXJJPWPSKECEY-CPNJWEJPSA-N	1	0	399.458	2.408	20	50		GEGDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816273	720190315	/nfs/dbraw/zinc/19/03/15/720190315.db2.gz	KRQPFSSQGLSGCQ-OXJNMPFZSA-N	1	0	392.931	2.444	20	50		GEGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948290	609275335	/nfs/dbraw/zinc/27/53/35/609275335.db2.gz	JLUCUZDXNDXRDA-ZDUSSCGKSA-N	1	0	387.463	2.214	20	50		GEGDRO