smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1ccccc1Cl)O2	ZINC000085390111	563568520	/nfs/dbraw/zinc/56/85/20/563568520.db2.gz	KPEWMBISULJRLR-ZSOIEALJSA-N	-1	0	300.697	3.654	40	30		DHEBRM
Cc1cc(N=NCc2ccccc2F)nc(-c2ccccc2[O-])n1	ZINC000005002845	563623393	/nfs/dbraw/zinc/62/33/93/563623393.db2.gz	AFBBLCSSZIVHAJ-JAIQZWGSSA-N	-1	0	322.343	3.743	40	30		DHEBRM
Cc1ccc(/N=C\c2cc([N+](=O)[O-])c3ccccc3c2[O-])nc1	ZINC000100701496	563632133	/nfs/dbraw/zinc/63/21/33/563632133.db2.gz	YRAKIUMASYAQPF-GRSHGNNSSA-N	-1	0	307.309	3.908	40	30		DHEBRM
O=C([O-])c1cc(/N=C/c2ccc(N3CCCCC3)cc2)ccc1O	ZINC000005552992	563715941	/nfs/dbraw/zinc/71/59/41/563715941.db2.gz	QKPWPVPVIZUAQM-DEDYPNTBSA-N	-1	0	324.380	3.831	40	30		DHEBRM
COc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1C#N	ZINC000006380906	563716625	/nfs/dbraw/zinc/71/66/25/563716625.db2.gz	NUTLLXNATGHQJT-DJKKODMXSA-N	-1	0	316.744	3.607	40	30		DHEBRM
O=C(C/C(=N/[O-])c1cc(-c2ccccc2)no1)c1ccccc1	ZINC000101627712	568417971	/nfs/dbraw/zinc/41/79/71/568417971.db2.gz	ZANIPGFOHCFXRB-MNDPQUGUSA-N	-1	0	306.321	3.793	40	30		DHEBRM
O=C([O-])c1ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000090443338	185296780	/nfs/dbraw/zinc/29/67/80/185296780.db2.gz	NBWPDELDSTZRMV-UHFFFAOYSA-N	-1	0	320.160	3.597	40	30		DHEBRM
Cc1ccc(C)c(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1	ZINC000015015478	181983736	/nfs/dbraw/zinc/98/37/36/181983736.db2.gz	AXKGQTVSVWVGLQ-VXLYETTFSA-N	-1	0	316.368	3.569	40	30		DHEBRM
CCOc1ccc(Cl)cc1/C=N\c1ccc(O)c(C(=O)[O-])c1	ZINC000409087629	257223687	/nfs/dbraw/zinc/22/36/87/257223687.db2.gz	JFQXKIMBRCIVTB-NVMNQCDNSA-N	-1	0	319.744	3.893	40	30		DHEBRM
C/C(=N\c1ccc(C)cc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362610	257232267	/nfs/dbraw/zinc/23/22/67/257232267.db2.gz	AGVLZVDNPOTZRQ-DEDYPNTBSA-N	-1	0	306.365	3.693	40	30		DHEBRM
CC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCCC(=O)[O-]	ZINC000299817246	334258311	/nfs/dbraw/zinc/25/83/11/334258311.db2.gz	OXXJZDJLYSMGIQ-IQDGFBTQSA-N	-1	0	308.418	3.500	40	30	in-vitro	DHEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-]	ZINC000038179918	563422590	/nfs/dbraw/zinc/42/25/90/563422590.db2.gz	UNKSQWPAQFFSMX-VXLYETTFSA-N	-1	0	314.385	3.997	40	30		DHEBRM
Cc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000135959588	563615818	/nfs/dbraw/zinc/61/58/18/563615818.db2.gz	LJVNPDRONRJIHU-BBKXPMSNSA-N	-1	0	300.408	3.869	40	30		DHEBRM
COc1cc(/C=N/c2cc(C)ccc2C)cc([N+](=O)[O-])c1[O-]	ZINC000008367896	563922241	/nfs/dbraw/zinc/92/22/41/563922241.db2.gz	RFQVYLVCTOHRNA-RQZCQDPDSA-N	-1	0	300.314	3.676	40	30		DHEBRM
O=C([O-])c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1Cl	ZINC000059138687	257217111	/nfs/dbraw/zinc/21/71/11/257217111.db2.gz	PBCJMDXJHQPYHC-VCHYOVAHSA-N	-1	0	318.760	3.982	40	30		DHEBRM
Cc1c(Cl)cccc1/N=C\c1cccc(OCC(=O)[O-])c1	ZINC000409218499	257220519	/nfs/dbraw/zinc/22/05/19/257220519.db2.gz	VQNXCJHZQJEUNG-NVMNQCDNSA-N	-1	0	303.745	3.862	40	30		DHEBRM
O=C([O-])c1ccc(/N=C/c2ccc3ccccc3c2O)cc1O	ZINC000409179936	257221279	/nfs/dbraw/zinc/22/12/79/257221279.db2.gz	QJOZHTNUFUJMQM-VXLYETTFSA-N	-1	0	307.305	3.700	40	30		DHEBRM
COc1cc(/C=N/c2ccc(C)cc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409016267	257224013	/nfs/dbraw/zinc/22/40/13/257224013.db2.gz	SYJZXDYTUUTTNM-MDBUFAAASA-N	-1	0	313.353	3.606	40	30		DHEBRM
COc1cc(C)c(/C=N/c2cccc(C(=O)[O-])c2C)cc1OC	ZINC000408548080	257230315	/nfs/dbraw/zinc/23/03/15/257230315.db2.gz	DAGXCKJKJKNABC-VXLYETTFSA-N	-1	0	313.353	3.769	40	30		DHEBRM
COc1cc(C)c(/C=N/c2ccc(C(=O)[O-])cc2C)cc1OC	ZINC000408548334	257230476	/nfs/dbraw/zinc/23/04/76/257230476.db2.gz	GMSWUOFOEFQZDE-VXLYETTFSA-N	-1	0	313.353	3.769	40	30		DHEBRM
CCOc1cc(/C=N/c2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000006958995	563921817	/nfs/dbraw/zinc/92/18/17/563921817.db2.gz	YYXBFBKQUWUBSX-LICLKQGHSA-N	-1	0	300.314	3.758	40	30		DHEBRM
Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c2ccccc2n1	ZINC000001704694	180889872	/nfs/dbraw/zinc/88/98/72/180889872.db2.gz	MHMQTYLQSCTQCK-VCHYOVAHSA-N	-1	0	307.309	3.908	40	30		DHEBRM
CCOc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000004359246	181101857	/nfs/dbraw/zinc/10/18/57/181101857.db2.gz	DTYQDBDAMICSEB-LICLKQGHSA-N	-1	0	300.314	3.758	40	30		DHEBRM
O=C([O-])c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1O	ZINC000004673351	181134865	/nfs/dbraw/zinc/13/48/65/181134865.db2.gz	CAUZUHMPSMJJJC-VXLYETTFSA-N	-1	0	307.305	3.700	40	30		DHEBRM
O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2)c1[O-]	ZINC000038181990	182994469	/nfs/dbraw/zinc/99/44/69/182994469.db2.gz	QVVPNSJJIOKTOW-FRKPEAEDSA-N	-1	0	309.684	3.539	40	30		DHEBRM
COc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)[O-]	ZINC000409217828	257220718	/nfs/dbraw/zinc/22/07/18/257220718.db2.gz	XCEOEOIRQFUCGT-VXLYETTFSA-N	-1	0	313.353	3.526	40	30		DHEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2cccc(O)c2)c1	ZINC000409099334	257223042	/nfs/dbraw/zinc/22/30/42/257223042.db2.gz	QGYIOUWAAQOQRS-UNOMPAQXSA-N	-1	0	306.321	3.632	40	30		DHEBRM
C[C@H](Oc1ccc(/C=N\c2ccc(Cl)cc2O)cc1)C(=O)[O-]	ZINC000408818188	257226879	/nfs/dbraw/zinc/22/68/79/257226879.db2.gz	YDACRLFOUSIYOI-OAOMGELKSA-N	-1	0	319.744	3.648	40	30		DHEBRM
CCOc1ccccc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000408811332	257226939	/nfs/dbraw/zinc/22/69/39/257226939.db2.gz	LAYJOVBBOHGIHD-CQLSMYGBSA-N	-1	0	313.353	3.688	40	30		DHEBRM
CCn1c(=O)c(/C=N/c2cccc(C)c2)c([O-])c2ccccc21	ZINC000104835016	563565046	/nfs/dbraw/zinc/56/50/46/563565046.db2.gz	JBTAGECLDMMKJB-UDWIEESQSA-N	-1	0	306.365	3.786	40	30		DHEBRM
CN(CCC#N)c1ccc(/C=C(\C(=O)[O-])c2cccs2)cc1	ZINC000005737918	181279489	/nfs/dbraw/zinc/27/94/89/181279489.db2.gz	LYWYYYUWPLDCFP-QINSGFPZSA-N	-1	0	312.394	3.723	40	30		DHEBRM
CCC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccccc1	ZINC000006190945	181318486	/nfs/dbraw/zinc/31/84/86/181318486.db2.gz	SNXBQVUGJKSRHZ-STZFKDTASA-N	-1	0	316.368	3.732	40	30		DHEBRM
O=C([O-])c1ccc(Cl)c(NC=CC(=O)c2ccccc2)c1	ZINC000016451245	182045200	/nfs/dbraw/zinc/04/52/00/182045200.db2.gz	XPWBSBYFKMLYGH-HJWRWDBZSA-N	-1	0	301.729	3.847	40	30		DHEBRM
CCc1ccc(NN=C(C)/C(=N/[O-])C(=O)Nc2ccccc2)cc1	ZINC000057353039	184035059	/nfs/dbraw/zinc/03/50/59/184035059.db2.gz	DKLBCCHFCFSRSS-AXHHTNJHSA-N	-1	0	324.384	3.506	40	30		DHEBRM
COc1cccc(/C=N\c2ccccc2C)c1O[C@H](C)C(=O)[O-]	ZINC000409228607	257220483	/nfs/dbraw/zinc/22/04/83/257220483.db2.gz	ZWUVPJSHRPCJPW-LPXFMOJISA-N	-1	0	313.353	3.606	40	30		DHEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccccn1	ZINC000409238972	257220516	/nfs/dbraw/zinc/22/05/16/257220516.db2.gz	XVUKNNCKBZHVRR-CIAFOILYSA-N	-1	0	319.364	3.938	40	30		DHEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccccn1	ZINC000409236546	257220552	/nfs/dbraw/zinc/22/05/52/257220552.db2.gz	RWJBQECLLPZGOX-CIAFOILYSA-N	-1	0	319.364	3.938	40	30		DHEBRM
COc1cc(/C=N/c2cccc(C)c2C)cc([N+](=O)[O-])c1[O-]	ZINC000409202975	257221140	/nfs/dbraw/zinc/22/11/40/257221140.db2.gz	VLVOMNOMCCAEDG-RQZCQDPDSA-N	-1	0	300.314	3.676	40	30		DHEBRM
O=[N+]([O-])c1cccc(/C=N/c2cccc(Br)c2)c1[O-]	ZINC000409099714	257223159	/nfs/dbraw/zinc/22/31/59/257223159.db2.gz	SILURBUGCFWQRJ-OVCLIPMQSA-N	-1	0	321.130	3.814	40	30		DHEBRM
COc1cc(/C=N/c2ccc(C)cc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409016269	257224143	/nfs/dbraw/zinc/22/41/43/257224143.db2.gz	SYJZXDYTUUTTNM-OTGIAGGSSA-N	-1	0	313.353	3.606	40	30		DHEBRM
CCOc1ccccc1/N=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000408811333	257226678	/nfs/dbraw/zinc/22/66/78/257226678.db2.gz	LAYJOVBBOHGIHD-QXGSTRBFSA-N	-1	0	313.353	3.688	40	30		DHEBRM
Cc1cc(/N=C\c2cccc([N+](=O)[O-])c2[O-])c2ccccc2n1	ZINC000017427084	563414893	/nfs/dbraw/zinc/41/48/93/563414893.db2.gz	MHMQTYLQSCTQCK-ZDLGFXPLSA-N	-1	0	307.309	3.908	40	30		DHEBRM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cccs2)cc1	ZINC000254770677	563614408	/nfs/dbraw/zinc/61/44/08/563614408.db2.gz	MQDTWYIQCZOWAR-UHFFFAOYSA-N	-1	0	300.412	3.860	40	30		DHEBRM
COc1cccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c1	ZINC000136407532	563616094	/nfs/dbraw/zinc/61/60/94/563616094.db2.gz	CSFPGOILNFGHDD-BBKXPMSNSA-N	-1	0	316.407	3.570	40	30		DHEBRM
CCCCCCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100933114	563647038	/nfs/dbraw/zinc/64/70/38/563647038.db2.gz	BKXJHDNMGIMDTI-QGZVFWFLSA-N	-1	0	300.402	3.955	40	30		DHEBRM
Cc1cc(C#N)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000223718154	563863623	/nfs/dbraw/zinc/86/36/23/563863623.db2.gz	FMHVPYCBGAIESD-UHFFFAOYSA-N	-1	0	300.383	3.604	40	30		DHEBRM
COc1ccc(-n2cccc2/C=N/c2cccc(C(=O)[O-])c2)cc1	ZINC000059104583	257217280	/nfs/dbraw/zinc/21/72/80/257217280.db2.gz	IYJPCQRRVJTTLE-DEDYPNTBSA-N	-1	0	320.348	3.935	40	30		DHEBRM
COc1cccc(/C=N\c2ccccc2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409228606	257220813	/nfs/dbraw/zinc/22/08/13/257220813.db2.gz	ZWUVPJSHRPCJPW-JFENUBAZSA-N	-1	0	313.353	3.606	40	30		DHEBRM
COc1ccc(C(=O)C=C(C)Nc2ccccc2C(=O)[O-])cc1	ZINC000409181199	257221472	/nfs/dbraw/zinc/22/14/72/257221472.db2.gz	ZALWFCPMGXSCCP-VAWYXSNFSA-N	-1	0	311.337	3.592	40	30		DHEBRM
O=C([O-])c1cccc(-n2cccc2C=NNc2ccccc2)c1	ZINC000409101617	257223090	/nfs/dbraw/zinc/22/30/90/257223090.db2.gz	PUZMUCKCARFODW-CPNJWEJPSA-N	-1	0	305.337	3.622	40	30		DHEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000001253915	563280924	/nfs/dbraw/zinc/28/09/24/563280924.db2.gz	OKWSNOMJJHBXTR-BOPFTXTBSA-N	-1	0	316.430	3.879	40	30		DHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C23CC4CC(CC(C4)C2)C3)c1	ZINC000038179914	563422651	/nfs/dbraw/zinc/42/26/51/563422651.db2.gz	GCQXRPKBUBPNSX-VCHYOVAHSA-N	-1	0	300.358	3.688	40	30		DHEBRM
O=C([O-])c1ccc(C/N=C/c2cccn2-c2ccccc2)cc1	ZINC000059249917	563771064	/nfs/dbraw/zinc/77/10/64/563771064.db2.gz	QWHXEFVRWKFTOY-XSFVSMFZSA-N	-1	0	304.349	3.795	40	30		DHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000108923414	563924619	/nfs/dbraw/zinc/92/46/19/563924619.db2.gz	FWXRUUANJITQDQ-AQTCEEOKSA-N	-1	0	316.407	3.570	40	30		DHEBRM
Cc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000108972872	563924686	/nfs/dbraw/zinc/92/46/86/563924686.db2.gz	LJVNPDRONRJIHU-AQTCEEOKSA-N	-1	0	300.408	3.869	40	30		DHEBRM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2O)cc1	ZINC000054360514	1014177850	/nfs/dbraw/zinc/17/78/50/1014177850.db2.gz	JKFQQKYUOPATSW-YVLHZVERSA-N	-1	0	310.382	3.504	40	30		DHEBRM
COc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005286873	1021274432	/nfs/dbraw/zinc/27/44/32/1021274432.db2.gz	SUUSUWOEIVBJIJ-LZYBPNLTSA-N	-1	0	306.705	3.713	40	30		DHEBRM
O=C1/C(=N\[O-])c2ccccc2N1Cc1cccc2ccccc21	ZINC000004619712	181130279	/nfs/dbraw/zinc/13/02/79/181130279.db2.gz	RPLTWBVMGUMCLS-ZZEZOPTASA-N	-1	0	302.333	3.565	40	30		DHEBRM
O=C([O-])c1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1O	ZINC000409179788	257221300	/nfs/dbraw/zinc/22/13/00/257221300.db2.gz	UWPOTJXRVUKDJU-BQYQJAHWSA-N	-1	0	317.728	3.552	40	30		DHEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(O)cc2)c1	ZINC000409100990	257222957	/nfs/dbraw/zinc/22/29/57/257222957.db2.gz	WIGNSTWWSMQHDZ-XDHOZWIPSA-N	-1	0	306.321	3.632	40	30		DHEBRM
Cc1cc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000408904870	257225902	/nfs/dbraw/zinc/22/59/02/257225902.db2.gz	PTOPCXFTMZUSQV-PXNMLYILSA-N	-1	0	315.285	3.576	40	30		DHEBRM
C[C@@H](Oc1ccc(/C=N\c2ccccc2Cl)cc1)C(=O)[O-]	ZINC000408818682	257226466	/nfs/dbraw/zinc/22/64/66/257226466.db2.gz	OKKVIYVEDOMBCN-IPHDDYSGSA-N	-1	0	303.745	3.943	40	30		DHEBRM
CCOc1ccccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000408741004	257226552	/nfs/dbraw/zinc/22/65/52/257226552.db2.gz	NMMRDIGADNSEKN-RBYWHNRPSA-N	-1	0	321.380	3.827	40	30		DHEBRM
CC(=NNc1ccc(C)cc1)/C(=N\[O-])C(=O)Nc1ccccc1C	ZINC000216875094	333389604	/nfs/dbraw/zinc/38/96/04/333389604.db2.gz	OCUJMGSZYUOGDQ-GANJHHLJSA-N	-1	0	324.384	3.560	40	30		DHEBRM
Cc1ccc(C(=O)C=C(O)C(=O)C=C([O-])c2ccc(C)cc2)cc1	ZINC000095398225	525942297	/nfs/dbraw/zinc/94/22/97/525942297.db2.gz	KWTVOUUUBMHLSR-WHYMJUELSA-N	-1	0	322.360	3.940	40	30		DHEBRM
COc1cc(/C=N/c2ccc(C)cc2C)cc([N+](=O)[O-])c1[O-]	ZINC000008368528	563922253	/nfs/dbraw/zinc/92/22/53/563922253.db2.gz	DUGZEQYVBQVRQE-RQZCQDPDSA-N	-1	0	300.314	3.676	40	30		DHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cccs3)SC2=N)s1	ZINC000108043774	563924649	/nfs/dbraw/zinc/92/46/49/563924649.db2.gz	DEAOHKFLJKAKGM-WPMAYMIXSA-N	-1	0	321.452	3.580	40	30		DHEBRM
N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	ZINC000005777617	181282913	/nfs/dbraw/zinc/28/29/13/181282913.db2.gz	WLUNXBDRJKXOMK-LBPRGKRZSA-N	-1	0	323.333	3.695	40	30		DHEBRM
O=C([O-])c1ccccc1NC=CC(=O)c1ccc(Cl)cc1	ZINC000005936664	181297832	/nfs/dbraw/zinc/29/78/32/181297832.db2.gz	RFPGVYMLPSPJSB-KTKRTIGZSA-N	-1	0	301.729	3.847	40	30		DHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccccc2)c1	ZINC000113856262	256584643	/nfs/dbraw/zinc/58/46/43/256584643.db2.gz	HXPNZQOXZDTSPB-OVCLIPMQSA-N	-1	0	321.130	3.814	40	30		DHEBRM
COc1cccc(/C=N\c2cccc(C)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409241670	257220663	/nfs/dbraw/zinc/22/06/63/257220663.db2.gz	LJVKGMXPOTVYMH-JFENUBAZSA-N	-1	0	313.353	3.606	40	30		DHEBRM
COc1cc(/C=N\c2cccc(C)c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409018781	257224329	/nfs/dbraw/zinc/22/43/29/257224329.db2.gz	ZEQIATVVQUENNA-JFENUBAZSA-N	-1	0	313.353	3.606	40	30		DHEBRM
Cc1cc(C=NNc2cccc3cccnc32)c([O-])c([N+](=O)[O-])c1	ZINC000035183058	526095769	/nfs/dbraw/zinc/09/57/69/526095769.db2.gz	GVEOORHGLUNKBN-VXLYETTFSA-N	-1	0	322.324	3.603	40	30		DHEBRM
O=[N+]([O-])c1cc2c(cc1Br)-c1ccccc1/C2=N/[O-]	ZINC000104081856	563562240	/nfs/dbraw/zinc/56/22/40/563562240.db2.gz	OKBCIYJFGIGJNS-SQFISAMPSA-N	-1	0	319.114	3.564	40	30		DHEBRM
N=C1SC(=Cc2ccc(F)cc2)C([O-])=C1c1nccs1	ZINC000136161951	563616207	/nfs/dbraw/zinc/61/62/07/563616207.db2.gz	ZAECRXLVIVVZFR-AAZDMDIYSA-N	-1	0	304.371	3.700	40	30		DHEBRM
Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(O)c(C(=O)[O-])c1	ZINC000015229406	563674054	/nfs/dbraw/zinc/67/40/54/563674054.db2.gz	CXUMGOFYNLTBST-NDENLUEZSA-N	-1	0	324.380	3.750	40	30		DHEBRM
COc1cccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000059302851	563771851	/nfs/dbraw/zinc/77/18/51/563771851.db2.gz	NEUXIBUVGLIKKX-GIJQJNRQSA-N	-1	0	319.744	3.563	40	30		DHEBRM
CN(C)c1ccc(/C=N\c2ccc(C(=O)[O-])cc2Cl)cc1	ZINC000096113519	563774210	/nfs/dbraw/zinc/77/42/10/563774210.db2.gz	YVPOALPNXNRQPE-ZDLGFXPLSA-N	-1	0	302.761	3.855	40	30		DHEBRM
O=C1C(Cl)=CC(=Nc2ccc([O-])c(Cl)c2)C=C1Cl	ZINC000004777951	181151155	/nfs/dbraw/zinc/15/11/55/181151155.db2.gz	NGPKWSXWCZCEDU-UHFFFAOYSA-N	-1	0	302.544	3.946	40	30		DHEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(F)cc2F)cc1)C(=O)[O-]	ZINC000059303073	256539459	/nfs/dbraw/zinc/53/94/59/256539459.db2.gz	VPPBIBGZPHBOBQ-XPAGJJBOSA-N	-1	0	305.280	3.567	40	30		DHEBRM
O=C([O-])c1ccc(/N=C/c2ccc(Br)cc2)cc1O	ZINC000059475086	256539743	/nfs/dbraw/zinc/53/97/43/256539743.db2.gz	ILZWYRNYGPXKBD-LZYBPNLTSA-N	-1	0	320.142	3.604	40	30		DHEBRM
O=C([O-])c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000006221367	257218586	/nfs/dbraw/zinc/21/85/86/257218586.db2.gz	GOUHEDXDJSMPDR-LZYBPNLTSA-N	-1	0	304.689	3.697	40	30		DHEBRM
COc1ccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409093575	257223590	/nfs/dbraw/zinc/22/35/90/257223590.db2.gz	ALCIMVOHBUVIIW-MOSHPQCFSA-N	-1	0	320.348	3.935	40	30		DHEBRM
COc1ccccc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409093598	257223670	/nfs/dbraw/zinc/22/36/70/257223670.db2.gz	APJLKEFHTWJDRG-DEDYPNTBSA-N	-1	0	320.348	3.935	40	30		DHEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)cc2)cc1)C(=O)[O-]	ZINC000408848712	257226405	/nfs/dbraw/zinc/22/64/05/257226405.db2.gz	SMOXZKURFPOPNI-IPHDDYSGSA-N	-1	0	303.745	3.943	40	30		DHEBRM
Cc1ccccc1/N=C\c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000408817955	257226881	/nfs/dbraw/zinc/22/68/81/257226881.db2.gz	XBYXVTBEPITFFW-NVMNQCDNSA-N	-1	0	303.745	3.862	40	30		DHEBRM
CC(=O)/C=C(/c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000104197941	257232515	/nfs/dbraw/zinc/23/25/15/257232515.db2.gz	SWIPQYPHTPMNLK-PTNGSMBKSA-N	-1	0	306.317	3.519	40	30		DHEBRM
O=[N+]([O-])c1cccc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-]	ZINC000038179913	563423041	/nfs/dbraw/zinc/42/30/41/563423041.db2.gz	FGFCUVMUOJERAZ-VCHYOVAHSA-N	-1	0	300.358	3.688	40	30		DHEBRM
O=[N+]([O-])c1ccc2c(c1)/C(=N\[O-])c1cc(Br)ccc1-2	ZINC000104081822	563562261	/nfs/dbraw/zinc/56/22/61/563562261.db2.gz	LYLFWDKPPTXOEK-SQFISAMPSA-N	-1	0	319.114	3.564	40	30		DHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccccc3)SC2=N)s1	ZINC000135852611	563615806	/nfs/dbraw/zinc/61/58/06/563615806.db2.gz	CNFNQQMSLUOUGS-YQWDTSLCSA-N	-1	0	315.423	3.518	40	30		DHEBRM
N=C1SC(=Cc2ccc(F)cc2)C([O-])=C1c1nccs1	ZINC000107831476	563718617	/nfs/dbraw/zinc/71/86/17/563718617.db2.gz	ZAECRXLVIVVZFR-YHXJBOQGSA-N	-1	0	304.371	3.700	40	30		DHEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(N3CCCC3)o2)c1	ZINC000059138683	257217329	/nfs/dbraw/zinc/21/73/29/257217329.db2.gz	USJKXLYORZQDBV-VCHYOVAHSA-N	-1	0	318.760	3.982	40	30		DHEBRM
COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)[O-]	ZINC000409200242	257221252	/nfs/dbraw/zinc/22/12/52/257221252.db2.gz	HEZBJWVPGKIVPM-VXLYETTFSA-N	-1	0	313.353	3.526	40	30		DHEBRM
C#CCn1cc(CNc2cccc(C(=O)[O-])c2)c2ccccc21	ZINC000408614108	257229044	/nfs/dbraw/zinc/22/90/44/257229044.db2.gz	YKRVDZKRUUOOGP-UHFFFAOYSA-N	-1	0	304.349	3.585	40	30		DHEBRM
Cc1cccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000032189105	524156691	/nfs/dbraw/zinc/15/66/91/524156691.db2.gz	QORWBEMTGMBNIY-GIJQJNRQSA-N	-1	0	303.745	3.862	40	30		DHEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2cc(C)ccc2C)c1[O-]	ZINC000002751360	563312498	/nfs/dbraw/zinc/31/24/98/563312498.db2.gz	YOHZIQXXMUGUKL-RQZCQDPDSA-N	-1	0	300.314	3.676	40	30		DHEBRM
COc1ccccc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000139117928	563924637	/nfs/dbraw/zinc/92/46/37/563924637.db2.gz	MPLLTGOIEKKGIV-BBKXPMSNSA-N	-1	0	316.407	3.570	40	30		DHEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1Cl	ZINC000005410283	181240197	/nfs/dbraw/zinc/24/01/97/181240197.db2.gz	WOTRBIWECPPZFX-MKMNVTDBSA-N	-1	0	301.202	3.692	40	30		DHEBRM
Cc1cc([O-])c(C(=O)/C=C/c2cccc3ccccc23)c(=O)o1	ZINC000006050447	181308553	/nfs/dbraw/zinc/30/85/53/181308553.db2.gz	BJWDUVXQHWTOKD-MDZDMXLPSA-N	-1	0	306.317	3.703	40	30		DHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2cccc(O)c2)cc1	ZINC000409247126	257220241	/nfs/dbraw/zinc/22/02/41/257220241.db2.gz	BZLCLCWOOUSVJH-UNOMPAQXSA-N	-1	0	306.321	3.632	40	30		DHEBRM
Cc1ccc(/N=C/c2ccccc2OCC(=O)[O-])cc1Cl	ZINC000409215746	257220448	/nfs/dbraw/zinc/22/04/48/257220448.db2.gz	DYJMRIBGXOBKSD-GIJQJNRQSA-N	-1	0	303.745	3.862	40	30		DHEBRM
Cc1ccc(Cl)cc1/N=C/c1ccccc1OCC(=O)[O-]	ZINC000409198937	257221483	/nfs/dbraw/zinc/22/14/83/257221483.db2.gz	AIFAMJSVHSBDCX-GIJQJNRQSA-N	-1	0	303.745	3.862	40	30		DHEBRM
[O-]c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl	ZINC000408931655	257225221	/nfs/dbraw/zinc/22/52/21/257225221.db2.gz	ONYREZXCGXZMDN-XDHOZWIPSA-N	-1	0	316.788	3.633	40	30		DHEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)cc2O)cc1)C(=O)[O-]	ZINC000408818193	257226476	/nfs/dbraw/zinc/22/64/76/257226476.db2.gz	YDACRLFOUSIYOI-PQQLAPNWSA-N	-1	0	319.744	3.648	40	30		DHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000137614605	563527463	/nfs/dbraw/zinc/52/74/63/563527463.db2.gz	FWXRUUANJITQDQ-BBKXPMSNSA-N	-1	0	316.407	3.570	40	30		DHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(O)cc2)cc1	ZINC000408933436	257225145	/nfs/dbraw/zinc/22/51/45/257225145.db2.gz	JQFWZVKLFUYRDQ-XDHOZWIPSA-N	-1	0	306.321	3.632	40	30		DHEBRM
O=[N+]([O-])c1cc2c(cc1Br)-c1ccccc1/C2=N\[O-]	ZINC000017420416	563461552	/nfs/dbraw/zinc/46/15/52/563461552.db2.gz	OKBCIYJFGIGJNS-FYWRMAATSA-N	-1	0	319.114	3.564	40	30		DHEBRM
CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1ccc(C)o1	ZINC000013575662	563660306	/nfs/dbraw/zinc/66/03/06/563660306.db2.gz	NGSHJPFKXCSPBC-JAIQZWGSSA-N	-1	0	320.356	3.552	40	30		DHEBRM
[O-]/N=C\c1cc(Br)ccc1OCc1cccc(F)c1	ZINC000006926062	563899816	/nfs/dbraw/zinc/89/98/16/563899816.db2.gz	WZBDSVGCZKXTRH-IUXPMGMMSA-N	-1	0	324.149	3.975	40	30		DHEBRM
[O-]/N=C\c1cc(Br)ccc1OCc1ccccc1F	ZINC000006926917	563899824	/nfs/dbraw/zinc/89/98/24/563899824.db2.gz	QCGSIZGEBQNDMH-IUXPMGMMSA-N	-1	0	324.149	3.975	40	30		DHEBRM
N#Cc1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000409244830	257220276	/nfs/dbraw/zinc/22/02/76/257220276.db2.gz	JGJHZJCCCLUBLD-FYJGNVAPSA-N	-1	0	315.332	3.798	40	30		DHEBRM
CC[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@H]1CCCCCCCC(=O)[O-]	ZINC000299817247	334258257	/nfs/dbraw/zinc/25/82/57/334258257.db2.gz	OXXJZDJLYSMGIQ-NLNRVJQUSA-N	-1	0	308.418	3.500	40	30	in-vitro	DHEBRM
Oc1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001252123	563280992	/nfs/dbraw/zinc/28/09/92/563280992.db2.gz	ZSGVLIPSSPRBLH-YBEGLDIGSA-N	-1	0	302.403	3.576	40	30		DHEBRM
Cc1c(/C=N/c2ccc(O)c(C(=O)[O-])c2)c2ccccc2n1C	ZINC000075286024	563459526	/nfs/dbraw/zinc/45/95/26/563459526.db2.gz	AXPKKQBNMMDAPH-VXLYETTFSA-N	-1	0	308.337	3.641	40	30		DHEBRM
O=C([O-])c1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1	ZINC000100445164	563550612	/nfs/dbraw/zinc/55/06/12/563550612.db2.gz	PCJFXKGWPKIQBM-KTKRTIGZSA-N	-1	0	301.729	3.847	40	30		DHEBRM
CCCCCCCCNC(=O)CSc1ccccc1C(=O)[O-]	ZINC000100978180	563555303	/nfs/dbraw/zinc/55/53/03/563555303.db2.gz	PXGRXHKDISVBDO-UHFFFAOYSA-N	-1	0	323.458	3.954	40	30		DHEBRM
O=C(/C=C\c1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-]	ZINC000005707492	181275736	/nfs/dbraw/zinc/27/57/36/181275736.db2.gz	YPGXNIHFYIFXQL-RJRFIUFISA-N	-1	0	302.713	3.670	40	30		DHEBRM
COc1ccccc1/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000409222732	257220817	/nfs/dbraw/zinc/22/08/17/257220817.db2.gz	DIHIKUOUMXRSDY-DEDYPNTBSA-N	-1	0	320.348	3.935	40	30		DHEBRM
O=C([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000409108590	257223070	/nfs/dbraw/zinc/22/30/70/257223070.db2.gz	XAFQGMYEBIWTQH-LZYBPNLTSA-N	-1	0	304.689	3.697	40	30		DHEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1[O-]	ZINC000408961202	257225095	/nfs/dbraw/zinc/22/50/95/257225095.db2.gz	BHSWWDAWNDPDQO-VIZOYTHASA-N	-1	0	321.676	3.613	40	30		DHEBRM
C[C@H](Oc1ccc(/C=N\c2ccccc2Cl)cc1)C(=O)[O-]	ZINC000408818685	257226682	/nfs/dbraw/zinc/22/66/82/257226682.db2.gz	OKKVIYVEDOMBCN-TZQXVGBESA-N	-1	0	303.745	3.943	40	30		DHEBRM
C#CCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000408614063	257229362	/nfs/dbraw/zinc/22/93/62/257229362.db2.gz	XXKLQTQGISITGJ-UHFFFAOYSA-N	-1	0	315.756	3.662	40	30		DHEBRM
COc1ccccc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000035078668	563296761	/nfs/dbraw/zinc/29/67/61/563296761.db2.gz	MPLLTGOIEKKGIV-AQTCEEOKSA-N	-1	0	316.407	3.570	40	30		DHEBRM
Cc1cc(C=NO)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409387402	563627671	/nfs/dbraw/zinc/62/76/71/563627671.db2.gz	WMTBEMIKPYLORO-UHFFFAOYSA-N	-1	0	318.398	3.541	40	30		DHEBRM
Cc1cccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000038189043	563739166	/nfs/dbraw/zinc/73/91/66/563739166.db2.gz	KQJJNKWVVOUJKY-LZYBPNLTSA-N	-1	0	305.721	3.708	40	30		DHEBRM
Cc1ccc(NN=Cc2ccccc2OCC(=O)[O-])cc1Cl	ZINC000007853117	563864315	/nfs/dbraw/zinc/86/43/15/563864315.db2.gz	AYTVRNQKPGLPQD-GIJQJNRQSA-N	-1	0	318.760	3.558	40	30		DHEBRM
CC(=N\c1ccc(Cl)cc1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000045920358	563889115	/nfs/dbraw/zinc/88/91/15/563889115.db2.gz	PHPDKCDTDGBVEY-VPMBNJIQSA-N	-1	0	315.760	3.901	40	30		DHEBRM
N#Cc1c2ccc([O-])cc2oc(=O)c1-c1nc2ccccc2s1	ZINC000001610752	180878767	/nfs/dbraw/zinc/87/87/67/180878767.db2.gz	NUMVQHABHCWBHI-UHFFFAOYSA-N	-1	0	320.329	3.647	40	30		DHEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000039738109	183021616	/nfs/dbraw/zinc/02/16/16/183021616.db2.gz	YMCOUIHHXLRUSW-WNWAVKOHSA-N	-1	0	312.409	3.882	40	30		DHEBRM
Cc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCCS2)cc1	ZINC000062716085	257128640	/nfs/dbraw/zinc/12/86/40/257128640.db2.gz	CFVKZURCFNJUSG-BQYQJAHWSA-N	-1	0	320.435	3.744	40	30		DHEBRM
Cc1ccc(/N=C/c2ccc(OCC(=O)[O-])cc2)cc1Cl	ZINC000409210073	257220759	/nfs/dbraw/zinc/22/07/59/257220759.db2.gz	KTAOHZXZDCSAIB-GIJQJNRQSA-N	-1	0	303.745	3.862	40	30		DHEBRM
Cc1c(/C=N\Cc2ccc(C(=O)[O-])cc2)c2ccccc2n1C	ZINC000408847788	257226207	/nfs/dbraw/zinc/22/62/07/257226207.db2.gz	RRHREFSQGHPYHX-NDENLUEZSA-N	-1	0	306.365	3.804	40	30		DHEBRM
Cc1cc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1F	ZINC000408857289	257226265	/nfs/dbraw/zinc/22/62/65/257226265.db2.gz	NZKHENLLWODPGT-AINDZBIGSA-N	-1	0	301.317	3.737	40	30		DHEBRM
O=C([O-])CCCCC(N=Nc1ccccc1F)c1ccccn1	ZINC000004137234	563326338	/nfs/dbraw/zinc/32/63/38/563326338.db2.gz	YGKOPZGJYWFPRC-LTGZKZEYSA-N	-1	0	315.348	3.682	40	30		DHEBRM
COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000035587933	563344852	/nfs/dbraw/zinc/34/48/52/563344852.db2.gz	PBCLUMFQTCCAQI-VMPITWQZSA-N	-1	0	313.309	3.514	40	30		DHEBRM
Cc1cc(/C=N/C23CC4CC(CC(C4)C2)C3)c([O-])c([N+](=O)[O-])c1	ZINC000038179919	563422753	/nfs/dbraw/zinc/42/27/53/563422753.db2.gz	SJGIXBKOYMEHPO-VXLYETTFSA-N	-1	0	314.385	3.997	40	30		DHEBRM
CCn1c(=O)c(/C=N/c2ccccc2C)c([O-])c2ccccc21	ZINC000104835010	563564845	/nfs/dbraw/zinc/56/48/45/563564845.db2.gz	PSTVIJXMTOYGIQ-UDWIEESQSA-N	-1	0	306.365	3.786	40	30		DHEBRM
CCCCCCCCCCCC1=C([O-])C(=O)C=C(NC)C1=O	ZINC000106803392	563565863	/nfs/dbraw/zinc/56/58/63/563565863.db2.gz	SWVVHASYMTZFOO-UHFFFAOYSA-N	-1	0	307.434	3.975	40	30	biogenic,in-vitro	DHEBRM
O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N\[O-])cc1	ZINC000100250087	563590158	/nfs/dbraw/zinc/59/01/58/563590158.db2.gz	MULROTQWEMJXMJ-PXNMLYILSA-N	-1	0	306.705	3.635	40	30		DHEBRM
CCN(CC)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000169566247	563610032	/nfs/dbraw/zinc/61/00/32/563610032.db2.gz	FLENWQOKBFXKRL-LDADJPATSA-N	-1	0	313.357	3.897	40	30		DHEBRM
CC(=O)/C=C(\c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000001565262	180873561	/nfs/dbraw/zinc/87/35/61/180873561.db2.gz	SWIPQYPHTPMNLK-RVDMUPIBSA-N	-1	0	306.317	3.519	40	30	world	DHEBRM
O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000005750233	181279933	/nfs/dbraw/zinc/27/99/33/181279933.db2.gz	BXFFWXBUTSJLLH-VIZOYTHASA-N	-1	0	321.676	3.613	40	30		DHEBRM
CC(=NNc1ccccc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000006269014	181325270	/nfs/dbraw/zinc/32/52/70/181325270.db2.gz	LWYCGCPLBUZVMP-CPNJWEJPSA-N	-1	0	306.369	3.722	40	30		DHEBRM
O=C([O-])C(C(=O)/C=C/c1ccc(F)cc1)=C1SCCCS1	ZINC000062716096	257128686	/nfs/dbraw/zinc/12/86/86/257128686.db2.gz	XBIBTWWVKHBHNR-QPJJXVBHSA-N	-1	0	324.398	3.574	40	30		DHEBRM
O=C([O-])c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1	ZINC000409072414	257223740	/nfs/dbraw/zinc/22/37/40/257223740.db2.gz	CCCCHWPARHEAAX-UDWIEESQSA-N	-1	0	312.344	3.875	40	30		DHEBRM
O=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1[O-]	ZINC000408963099	257225278	/nfs/dbraw/zinc/22/52/78/257225278.db2.gz	MNEGQERSVWGMLP-OVCLIPMQSA-N	-1	0	321.130	3.814	40	30		DHEBRM
COc1ccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000408849765	257225905	/nfs/dbraw/zinc/22/59/05/257225905.db2.gz	YWCZYQNZFWAMQX-NVMNQCDNSA-N	-1	0	319.744	3.563	40	30		DHEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000001242502	563618561	/nfs/dbraw/zinc/61/85/61/563618561.db2.gz	URVRQYARIFTBFL-PDGQHHTCSA-N	-1	0	324.409	3.889	40	30		DHEBRM
O=C([O-])c1cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c1	ZINC000095094022	563651744	/nfs/dbraw/zinc/65/17/44/563651744.db2.gz	VKIMPTISRHPQCI-UHFFFAOYSA-N	-1	0	320.160	3.597	40	30		DHEBRM
Cc1cc(C)nc(N=NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000014140797	563665352	/nfs/dbraw/zinc/66/53/52/563665352.db2.gz	QDBSQIVVGVAGPQ-OMCISZLKSA-N	-1	0	311.172	3.552	40	30		DHEBRM
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1	ZINC000008653399	563927560	/nfs/dbraw/zinc/92/75/60/563927560.db2.gz	OOHWREUZDRTCHX-UHFFFAOYSA-N	-1	0	302.333	3.589	40	30		DHEBRM
O=C([O-])C(C(=O)/C=C/c1cccc(F)c1)=C1SCCCS1	ZINC000062716097	257128903	/nfs/dbraw/zinc/12/89/03/257128903.db2.gz	JMVPYPJKCBGCMA-AATRIKPKSA-N	-1	0	324.398	3.574	40	30		DHEBRM
COc1cccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000409095974	257222792	/nfs/dbraw/zinc/22/27/92/257222792.db2.gz	CAELAAAWSANEAW-DEDYPNTBSA-N	-1	0	320.348	3.935	40	30		DHEBRM
COc1ccc(Cl)cc1/N=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000409101203	257222977	/nfs/dbraw/zinc/22/29/77/257222977.db2.gz	AKNGAKWINTVRJU-LZYBPNLTSA-N	-1	0	306.705	3.713	40	30		DHEBRM
O=C([O-])c1cccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000409084352	257223386	/nfs/dbraw/zinc/22/33/86/257223386.db2.gz	CQQNGZBPUZLFLA-LZYBPNLTSA-N	-1	0	304.689	3.697	40	30		DHEBRM
COc1cc(/C=N\c2cccc(C)c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409018782	257224380	/nfs/dbraw/zinc/22/43/80/257224380.db2.gz	ZEQIATVVQUENNA-LPXFMOJISA-N	-1	0	313.353	3.606	40	30		DHEBRM
O=C([O-])c1cccc(/N=C/c2cc(Br)ccc2O)c1	ZINC000016386072	331566803	/nfs/dbraw/zinc/56/68/03/331566803.db2.gz	COZKVSWECCNMFH-LZYBPNLTSA-N	-1	0	320.142	3.604	40	30		DHEBRM
[O-]c1c(Cl)cc(Br)cc1/C=N/c1cccnc1	ZINC000000431746	563253451	/nfs/dbraw/zinc/25/34/51/563253451.db2.gz	IQQFSBPTUGTZQE-OMCISZLKSA-N	-1	0	311.566	3.954	40	30		DHEBRM
CC(=NOCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC000254870292	563785132	/nfs/dbraw/zinc/78/51/32/563785132.db2.gz	QAZWGFGJOJFUGT-UHFFFAOYSA-N	-1	0	303.745	3.979	40	30		DHEBRM
CCOc1cc(/C=N/c2cccc(C)c2)cc([N+](=O)[O-])c1[O-]	ZINC000006959012	563921811	/nfs/dbraw/zinc/92/18/11/563921811.db2.gz	ZGESYIJZBSZYHJ-LICLKQGHSA-N	-1	0	300.314	3.758	40	30		DHEBRM
Cc1ccc(O)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000003084551	563941915	/nfs/dbraw/zinc/94/19/15/563941915.db2.gz	CVPXSTMLWROPSP-FRKPEAEDSA-N	-1	0	306.705	3.718	40	30		DHEBRM
C/C(=N\c1ncc([S-])s1)c1cc2ccccc2oc1=O	ZINC000004701579	181139286	/nfs/dbraw/zinc/13/92/86/181139286.db2.gz	BSVUAIHIWQGEES-LZYBPNLTSA-N	-1	0	302.380	3.679	40	30		DHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2)c1[O-]	ZINC000005600759	181262333	/nfs/dbraw/zinc/26/23/33/181262333.db2.gz	OUWSSUKTUAHMKE-OVCLIPMQSA-N	-1	0	321.130	3.814	40	30		DHEBRM
O=C([O-])c1cccc(/N=C/c2ccc3c4c(cccc42)C(=O)N3)c1	ZINC000019144969	182105899	/nfs/dbraw/zinc/10/58/99/182105899.db2.gz	SMQWURTYDFBBIL-KEBDBYFISA-N	-1	0	316.316	3.854	40	30		DHEBRM
CCn1c(=O)c(/C=N/c2ccc(C)cc2)c([O-])c2ccccc21	ZINC000104835018	256580435	/nfs/dbraw/zinc/58/04/35/256580435.db2.gz	CGCWVXZJSVLABJ-UDWIEESQSA-N	-1	0	306.365	3.786	40	30		DHEBRM
COc1cccc(/C=N/c2ccc(C(=O)[O-])cc2)c1OC(C)C	ZINC000409014493	257224152	/nfs/dbraw/zinc/22/41/52/257224152.db2.gz	PRHSKSBOZZYSTJ-YBFXNURJSA-N	-1	0	313.353	3.931	40	30		DHEBRM
O=C([O-])c1cccc(/N=C/c2cccn2-c2ccc(O)cc2)c1	ZINC000409019303	257224226	/nfs/dbraw/zinc/22/42/26/257224226.db2.gz	QSQQVOWUMHJSAT-XDHOZWIPSA-N	-1	0	306.321	3.632	40	30		DHEBRM
CCOc1cccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000408852671	257226122	/nfs/dbraw/zinc/22/61/22/257226122.db2.gz	HOKGOOXUARZWEK-QXGSTRBFSA-N	-1	0	313.353	3.688	40	30		DHEBRM
CCn1c(=O)c(C(=O)/C=C/c2ccccc2)c([O-])c2ccccc21	ZINC000100192704	563275417	/nfs/dbraw/zinc/27/54/17/563275417.db2.gz	XQTOAMUSPRRYOE-OUKQBFOZSA-N	-1	0	319.360	3.623	40	30		DHEBRM
Oc1cccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1	ZINC000001475368	563284255	/nfs/dbraw/zinc/28/42/55/563284255.db2.gz	HOMCFZHDRYHTGR-YBEGLDIGSA-N	-1	0	302.403	3.576	40	30		DHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cccs3)SC2=N)s1	ZINC000137153081	563616288	/nfs/dbraw/zinc/61/62/88/563616288.db2.gz	DEAOHKFLJKAKGM-QKJFNYBUSA-N	-1	0	321.452	3.580	40	30		DHEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(F)cc2F)cc1)C(=O)[O-]	ZINC000059303075	563771674	/nfs/dbraw/zinc/77/16/74/563771674.db2.gz	VPPBIBGZPHBOBQ-XTTRTJGBSA-N	-1	0	305.280	3.567	40	30		DHEBRM
CC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCCC(=O)[O-]	ZINC000197550570	1021630266	/nfs/dbraw/zinc/63/02/66/1021630266.db2.gz	OXXJZDJLYSMGIQ-QQUSCTABSA-N	-1	0	308.418	3.500	40	30	in-vitro	DHEBRM
Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(O)c(C(=O)[O-])c1	ZINC000005926065	181296845	/nfs/dbraw/zinc/29/68/45/181296845.db2.gz	CXUMGOFYNLTBST-UDWIEESQSA-N	-1	0	324.380	3.750	40	30		DHEBRM
O=C(/C=C/c1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-]	ZINC000016939611	182064970	/nfs/dbraw/zinc/06/49/70/182064970.db2.gz	YPGXNIHFYIFXQL-DAFODLJHSA-N	-1	0	302.713	3.670	40	30		DHEBRM
COc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])cc2C)cc1	ZINC000409178861	257221219	/nfs/dbraw/zinc/22/12/19/257221219.db2.gz	JDEAYAHRCRBAEO-MDZDMXLPSA-N	-1	0	311.337	3.510	40	30		DHEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccccc2Br)c1[O-]	ZINC000409104328	257223022	/nfs/dbraw/zinc/22/30/22/257223022.db2.gz	CVYUNBSSYBINAC-NVNXTCNLSA-N	-1	0	321.130	3.814	40	30		DHEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cccn1-c1ccc(O)cc1	ZINC000409016286	257224252	/nfs/dbraw/zinc/22/42/52/257224252.db2.gz	GFCCRHPCVLXFFM-UDWIEESQSA-N	-1	0	320.348	3.940	40	30		DHEBRM
CCOc1ccccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000408741007	257226955	/nfs/dbraw/zinc/22/69/55/257226955.db2.gz	NMMRDIGADNSEKN-UOEVCUDDSA-N	-1	0	321.380	3.827	40	30		DHEBRM
N#Cc1cc(Br)c(=O)[n-]c1-c1ccccc1Cl	ZINC000096510643	563486419	/nfs/dbraw/zinc/48/64/19/563486419.db2.gz	LPVXWCLVCNDBMU-UHFFFAOYSA-N	-1	0	309.550	3.742	40	30		DHEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C)cc1	ZINC000001241082	563618705	/nfs/dbraw/zinc/61/87/05/563618705.db2.gz	VQMNSCHXBWACCK-WQRHYEAKSA-N	-1	0	324.409	3.807	40	30		DHEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(Br)cc2)ccc1[O-]	ZINC000059426294	563771681	/nfs/dbraw/zinc/77/16/81/563771681.db2.gz	HUUSKYFFDWDITA-OVCLIPMQSA-N	-1	0	321.130	3.814	40	30		DHEBRM
CCOc1cc(/C=N/c2ccccc2C)cc([N+](=O)[O-])c1[O-]	ZINC000006959024	563921834	/nfs/dbraw/zinc/92/18/34/563921834.db2.gz	RGGRUNGBMCYMCV-LICLKQGHSA-N	-1	0	300.314	3.758	40	30		DHEBRM
CC[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1CCCCCCCC(=O)[O-]	ZINC000197550544	1021629016	/nfs/dbraw/zinc/62/90/16/1021629016.db2.gz	OXXJZDJLYSMGIQ-BKAHTCAJSA-N	-1	0	308.418	3.500	40	30	in-vitro	DHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(Br)c2)c1	ZINC000004990344	181185962	/nfs/dbraw/zinc/18/59/62/181185962.db2.gz	ZRIBNYCLHWZAQY-OVCLIPMQSA-N	-1	0	321.130	3.814	40	30		DHEBRM
O=C([O-])C=CC(=NNc1ccccc1)c1ccc(Cl)cc1	ZINC000005603801	181263191	/nfs/dbraw/zinc/26/31/91/181263191.db2.gz	VTAYSKZYWDBWJY-MRBSYODNSA-N	-1	0	300.745	3.797	40	30		DHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2N2CCCC2)c1	ZINC000005927259	181297041	/nfs/dbraw/zinc/29/70/41/181297041.db2.gz	FLLXKWWBBXKJNX-LDADJPATSA-N	-1	0	311.341	3.651	40	30		DHEBRM
Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)[O-])cc1	ZINC000409215600	257220449	/nfs/dbraw/zinc/22/04/49/257220449.db2.gz	BZUQWLOWSMYWOF-GIJQJNRQSA-N	-1	0	303.745	3.862	40	30		DHEBRM
COc1ccccc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000408853125	257226406	/nfs/dbraw/zinc/22/64/06/257226406.db2.gz	LTTQQJHGGIKXME-GIJQJNRQSA-N	-1	0	319.744	3.563	40	30		DHEBRM
O=C(/C=C\c1ccccc1)CCc1c(=O)oc2ccccc2c1[O-]	ZINC000005837783	563331333	/nfs/dbraw/zinc/33/13/33/563331333.db2.gz	QIBANWOLXDOINM-KHPPLWFESA-N	-1	0	320.344	3.714	40	30		DHEBRM
CCc1ccc(/N=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1	ZINC000008084433	563922066	/nfs/dbraw/zinc/92/20/66/563922066.db2.gz	WXBXEKHFKQCKPZ-LICLKQGHSA-N	-1	0	300.314	3.622	40	30		DHEBRM
COc1ccc(/N=C/c2ccc([O-])c(Br)c2)cc1	ZINC000005513510	181251996	/nfs/dbraw/zinc/25/19/96/181251996.db2.gz	MKUBRBQJZTXQIK-CXUHLZMHSA-N	-1	0	306.159	3.914	40	30		DHEBRM
N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	ZINC000005777621	181282868	/nfs/dbraw/zinc/28/28/68/181282868.db2.gz	WLUNXBDRJKXOMK-GFCCVEGCSA-N	-1	0	323.333	3.695	40	30		DHEBRM
O=C([O-])c1ccccc1/C=C1/Cc2cc3c(cc2C1=O)CCC3	ZINC000016958763	182066237	/nfs/dbraw/zinc/06/62/37/182066237.db2.gz	UVRYHLMIVKQCHB-SXGWCWSVSA-N	-1	0	304.345	3.696	40	30		DHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccccc2O)cc1	ZINC000409222324	257220876	/nfs/dbraw/zinc/22/08/76/257220876.db2.gz	WRLCZNVERUPHBM-UNOMPAQXSA-N	-1	0	306.321	3.632	40	30		DHEBRM
O=C([O-])c1cccc(/N=C/c2ccc(N3CCCC3)c(F)c2)c1	ZINC000409068226	257223477	/nfs/dbraw/zinc/22/34/77/257223477.db2.gz	IAAJVNQYGKIAPQ-UDWIEESQSA-N	-1	0	312.344	3.875	40	30		DHEBRM
Cc1cccc(/N=C\c2cc([N+](=O)[O-])c3ccccc3c2[O-])n1	ZINC000100145859	563628669	/nfs/dbraw/zinc/62/86/69/563628669.db2.gz	UQOBWQJIAKUMEA-ZDLGFXPLSA-N	-1	0	307.309	3.908	40	30		DHEBRM
O=[N+]([O-])c1ccc2c(c1)/C(=N/[O-])c1cc(Br)ccc1-2	ZINC000022241182	182314791	/nfs/dbraw/zinc/31/47/91/182314791.db2.gz	LYLFWDKPPTXOEK-FYWRMAATSA-N	-1	0	319.114	3.564	40	30		DHEBRM
C=CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000005600932	256519349	/nfs/dbraw/zinc/51/93/49/256519349.db2.gz	SPURRCOTHMJSKZ-UHFFFAOYSA-N	-1	0	323.458	3.798	40	30		DHEBRM
CN(C)c1ccc(-n2cccc2/C=N/c2ccc(O)cc2)cc1	ZINC000408854388	257226294	/nfs/dbraw/zinc/22/62/94/257226294.db2.gz	DONRVKUMOWXGFR-XSFVSMFZSA-N	-1	0	305.381	4.000	40	30		DHEBRM
CCC/N=C(\C)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643561	563552388	/nfs/dbraw/zinc/55/23/88/563552388.db2.gz	AFVNQXQKMMBORZ-KGENOOAVSA-N	-1	0	320.392	3.915	40	30		DHEBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1CCC#N	ZINC000014607832	563672124	/nfs/dbraw/zinc/67/21/24/563672124.db2.gz	JDCQIEDZDJAZRL-UHFFFAOYSA-N	-1	0	312.398	3.596	40	30		DHEBRM
Cc1ccc(/C=N/c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC000000350998	180764131	/nfs/dbraw/zinc/76/41/31/180764131.db2.gz	AKMVLXJVNGKZCU-XDHOZWIPSA-N	-1	0	310.353	3.549	40	30		DHEBRM
CN(C)c1ccc(/C=N/c2ccc(C(=O)[O-])cc2Cl)cc1	ZINC000000500493	180808199	/nfs/dbraw/zinc/80/81/99/180808199.db2.gz	YVPOALPNXNRQPE-VCHYOVAHSA-N	-1	0	302.761	3.855	40	30		DHEBRM
O=C([O-])c1ccc(-n2cccc2C=NNc2ccccc2)cc1	ZINC000409246428	257220270	/nfs/dbraw/zinc/22/02/70/257220270.db2.gz	IGFLHSQWFXPHHY-CPNJWEJPSA-N	-1	0	305.337	3.622	40	30		DHEBRM
COc1cccc(/C=N/c2cccc(C(=O)[O-])c2)c1OC(C)C	ZINC000409008864	257224902	/nfs/dbraw/zinc/22/49/02/257224902.db2.gz	NQMJRKJSJYDPAZ-YBFXNURJSA-N	-1	0	313.353	3.931	40	30		DHEBRM
COc1ccc(Cl)cc1/N=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408904209	257225839	/nfs/dbraw/zinc/22/58/39/257225839.db2.gz	GLVPGXDCWISINI-LZYBPNLTSA-N	-1	0	306.705	3.713	40	30		DHEBRM
CCOc1cccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000408852665	257225875	/nfs/dbraw/zinc/22/58/75/257225875.db2.gz	HOKGOOXUARZWEK-CQLSMYGBSA-N	-1	0	313.353	3.688	40	30		DHEBRM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cccn2-c2ccccc2)c1	ZINC000408851343	257226188	/nfs/dbraw/zinc/22/61/88/257226188.db2.gz	XZVMLMDMVNCAIT-LDADJPATSA-N	-1	0	307.309	3.842	40	30		DHEBRM
O=C([O-])CCCCC(=NNc1ccc(F)cc1)c1ccccn1	ZINC000035380351	563452813	/nfs/dbraw/zinc/45/28/13/563452813.db2.gz	NOKIIXBRUJOALZ-PGMHBOJBSA-N	-1	0	315.348	3.682	40	30		DHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=[NH+][N-]c1ccc(C)cc1	ZINC000059366694	563771506	/nfs/dbraw/zinc/77/15/06/563771506.db2.gz	STPQUFRECIJUFA-XDHOZWIPSA-N	-1	0	306.369	3.641	40	30		DHEBRM
O=C([O-])c1ccccc1NC=CC(=O)c1ccc(Cl)cc1	ZINC000035191126	563924669	/nfs/dbraw/zinc/92/46/69/563924669.db2.gz	RFPGVYMLPSPJSB-MDZDMXLPSA-N	-1	0	301.729	3.847	40	30		DHEBRM
N#Cc1c([O-])sc(=O)c(C#N)c1-c1ccc(Cl)cc1Cl	ZINC000005943884	181299384	/nfs/dbraw/zinc/29/93/84/181299384.db2.gz	INAAAQVVGNFDBK-UHFFFAOYSA-N	-1	0	323.160	3.531	40	30		DHEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F	ZINC000006592742	181358412	/nfs/dbraw/zinc/35/84/12/181358412.db2.gz	RZANSHZRRHMYNH-VXLYETTFSA-N	-1	0	320.295	3.822	40	30		DHEBRM
COc1cccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000409245976	257220372	/nfs/dbraw/zinc/22/03/72/257220372.db2.gz	BXJRGBCWCVMGIW-DEDYPNTBSA-N	-1	0	320.348	3.935	40	30		DHEBRM
COc1ccc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000409229109	257220684	/nfs/dbraw/zinc/22/06/84/257220684.db2.gz	JXHXDQSUUIUGGO-MOSHPQCFSA-N	-1	0	320.348	3.935	40	30		DHEBRM
Cc1ccc(Cl)cc1/N=C\c1cccc(OCC(=O)[O-])c1	ZINC000409209563	257220900	/nfs/dbraw/zinc/22/09/00/257220900.db2.gz	CLIMMEHDARZMDF-NVMNQCDNSA-N	-1	0	303.745	3.862	40	30		DHEBRM
Cc1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000408854194	257225989	/nfs/dbraw/zinc/22/59/89/257225989.db2.gz	ZKZDQUJNUKJFJL-GIJQJNRQSA-N	-1	0	303.745	3.862	40	30		DHEBRM
O=[N+]([O-])c1cc(/C=N\c2ccccc2Br)ccc1[O-]	ZINC000408905332	257226323	/nfs/dbraw/zinc/22/63/23/257226323.db2.gz	XJLWRGQULYVUSL-NVNXTCNLSA-N	-1	0	321.130	3.814	40	30		DHEBRM
COc1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001261213	563280713	/nfs/dbraw/zinc/28/07/13/563280713.db2.gz	BXRDXSDYRRFJAT-BOPFTXTBSA-N	-1	0	316.430	3.879	40	30		DHEBRM
Cc1cc(/C=N/c2ccc3ncccc3c2)c([O-])c([N+](=O)[O-])c1	ZINC000004357473	181102125	/nfs/dbraw/zinc/10/21/25/181102125.db2.gz	IRYHHZUVLBMUCR-VXLYETTFSA-N	-1	0	307.309	3.908	40	30		DHEBRM
CCc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1	ZINC000006821886	181395054	/nfs/dbraw/zinc/39/50/54/181395054.db2.gz	UIWJOCWQPSCDGF-YBFXNURJSA-N	-1	0	316.368	3.515	40	30		DHEBRM
CCc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCS2)cc1	ZINC000062716077	257128843	/nfs/dbraw/zinc/12/88/43/257128843.db2.gz	CBSAEYKIXUKUQT-BQYQJAHWSA-N	-1	0	320.435	3.608	40	30		DHEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccccc2O)c1	ZINC000409117208	257222074	/nfs/dbraw/zinc/22/20/74/257222074.db2.gz	NTWKPYVDVDFBNJ-UNOMPAQXSA-N	-1	0	306.321	3.632	40	30		DHEBRM
O=C([O-])c1cc(/N=C\c2ccc(N3CCCC3)o2)ccc1Cl	ZINC000408847066	257225856	/nfs/dbraw/zinc/22/58/56/257225856.db2.gz	LFNPFWVRPUTZND-ZDLGFXPLSA-N	-1	0	318.760	3.982	40	30		DHEBRM
CCN(CC)c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408904362	257226409	/nfs/dbraw/zinc/22/64/09/257226409.db2.gz	IHKOAZAGTQAGFO-LDADJPATSA-N	-1	0	313.357	3.897	40	30		DHEBRM
CC(=NNc1ccccc1C)/C(=N\[O-])C(=O)Nc1ccccc1C	ZINC000216875030	333389519	/nfs/dbraw/zinc/38/95/19/333389519.db2.gz	SYDPWUKHUMXQIB-GANJHHLJSA-N	-1	0	324.384	3.560	40	30		DHEBRM
O=c1c2ccccc2nc2c(/C=N\c3ccc(Cl)cc3)c[n-]n21	ZINC000100946437	563554708	/nfs/dbraw/zinc/55/47/08/563554708.db2.gz	LOKRXJPAOFJVPK-OCKHKDLRSA-N	-1	0	322.755	3.580	40	30		DHEBRM
N#Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000015017574	563781418	/nfs/dbraw/zinc/78/14/18/563781418.db2.gz	JUYSEGHSZDCYQO-WBAXXEDZSA-N	-1	0	320.348	3.501	40	30		DHEBRM
C/C(=N\c1cccc(C(=O)[O-])c1)c1cc2ccccc2oc1=O	ZINC000004701595	181138889	/nfs/dbraw/zinc/13/88/89/181138889.db2.gz	FMCPKBLQQXQSEX-YBFXNURJSA-N	-1	0	307.305	3.632	40	30		DHEBRM
CC(=NNc1ccc(C)c(C)c1)/C(=N/[O-])C(=O)Nc1ccccc1	ZINC000057353041	184035321	/nfs/dbraw/zinc/03/53/21/184035321.db2.gz	ZVYZSVAMWZTTKH-DXAIXTPVSA-N	-1	0	324.384	3.560	40	30		DHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccccc2Br)c1	ZINC000409095215	257223438	/nfs/dbraw/zinc/22/34/38/257223438.db2.gz	GXALTRGJGFWOIF-NVNXTCNLSA-N	-1	0	321.130	3.814	40	30		DHEBRM
Cc1c(/C=N\c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2n1C	ZINC000408851669	257226222	/nfs/dbraw/zinc/22/62/22/257226222.db2.gz	MAMWKDHLURBKRZ-ZDLGFXPLSA-N	-1	0	309.325	3.851	40	30		DHEBRM
CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000408623672	257228318	/nfs/dbraw/zinc/22/83/18/257228318.db2.gz	ROLJMXZBIOYISB-CMDGGOBGSA-N	-1	0	313.309	3.595	40	30		DHEBRM
COc1cccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c1	ZINC000107885139	563924576	/nfs/dbraw/zinc/92/45/76/563924576.db2.gz	CSFPGOILNFGHDD-AQTCEEOKSA-N	-1	0	316.407	3.570	40	30		DHEBRM
O=C([O-])C(C(=O)/C=C/c1ccccc1F)=C1SCCCS1	ZINC000062716093	257129138	/nfs/dbraw/zinc/12/91/38/257129138.db2.gz	JFQMMHBLETZEEY-VOTSOKGWSA-N	-1	0	324.398	3.574	40	30		DHEBRM
COc1cc(/C=N/c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1[O-]	ZINC000409202808	257220809	/nfs/dbraw/zinc/22/08/09/257220809.db2.gz	SMDDZTDXABJVMW-RQZCQDPDSA-N	-1	0	300.314	3.676	40	30		DHEBRM
COc1cc(C)c(/C=N\c2cc(C(=O)[O-])ccc2C)cc1OC	ZINC000408548380	257230130	/nfs/dbraw/zinc/23/01/30/257230130.db2.gz	HGLIRJGNKRINSM-GRSHGNNSSA-N	-1	0	313.353	3.769	40	30		DHEBRM
Cc1ccsc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000033379669	563924509	/nfs/dbraw/zinc/92/45/09/563924509.db2.gz	FTZWSIFBZVILGD-SIOABDBPSA-N	-1	0	306.437	3.931	40	30		DHEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(Br)cc2)c1[O-]	ZINC000038183657	563423106	/nfs/dbraw/zinc/42/31/06/563423106.db2.gz	CYBUDEZSIVGBFF-OVCLIPMQSA-N	-1	0	321.130	3.814	40	30		DHEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F	ZINC000035731414	1032863940	/nfs/dbraw/zinc/86/39/40/1032863940.db2.gz	RZANSHZRRHMYNH-GRSHGNNSSA-N	-1	0	320.295	3.822	40	30		DHEBRM
O=C(/C=C/c1ccccc1)CCc1c(=O)oc2ccccc2c1[O-]	ZINC000016958201	182066243	/nfs/dbraw/zinc/06/62/43/182066243.db2.gz	QIBANWOLXDOINM-ZHACJKMWSA-N	-1	0	320.344	3.714	40	30		DHEBRM
COc1cccc(/C=N/c2ccc(C)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409235997	257220459	/nfs/dbraw/zinc/22/04/59/257220459.db2.gz	RANDFUFEOBNMEO-OTGIAGGSSA-N	-1	0	313.353	3.606	40	30		DHEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1[O-]	ZINC000409098156	257223154	/nfs/dbraw/zinc/22/31/54/257223154.db2.gz	NOTOEQCYCMXLHX-VIZOYTHASA-N	-1	0	321.676	3.613	40	30		DHEBRM
N#Cc1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409095512	257223637	/nfs/dbraw/zinc/22/36/37/257223637.db2.gz	IEIDUTVYSTZNJV-FYJGNVAPSA-N	-1	0	315.332	3.798	40	30		DHEBRM
O=C([O-])c1cc(/N=C\c2cccn2-c2ccccc2)ccc1O	ZINC000408818162	257226856	/nfs/dbraw/zinc/22/68/56/257226856.db2.gz	ZMEZQDYMYWRNHP-UNOMPAQXSA-N	-1	0	306.321	3.632	40	30		DHEBRM
Cc1oc(/N=C/c2ccc([O-])c(Br)c2)c(C#N)c1C	ZINC000408723192	257228003	/nfs/dbraw/zinc/22/80/03/257228003.db2.gz	OPQJWOVBQRKURZ-REZTVBANSA-N	-1	0	319.158	3.987	40	30		DHEBRM
C#CCOc1ccc(Cl)cc1CNc1cccc(C(=O)[O-])c1	ZINC000408603696	257229158	/nfs/dbraw/zinc/22/91/58/257229158.db2.gz	CJZAZWJWNGZQOC-UHFFFAOYSA-N	-1	0	315.756	3.662	40	30		DHEBRM
C=C1C(=O)c2ccccc2C([O-])=C1C(=O)C=Cc1ccccc1	ZINC000104232133	257232442	/nfs/dbraw/zinc/23/24/42/257232442.db2.gz	YVYQSKQQTPWMKY-QXMHVHEDSA-N	-1	0	302.329	3.665	40	30		DHEBRM
CC/N=C(\C)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370478	257272765	/nfs/dbraw/zinc/27/27/65/257272765.db2.gz	VEZLHGDDJHRFER-DEDYPNTBSA-N	-1	0	306.365	3.525	40	30		DHEBRM
CC(=O)c1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003191686	563323326	/nfs/dbraw/zinc/32/33/26/563323326.db2.gz	BICSVBXNJJOMCD-CAOOACKPSA-N	-1	0	318.716	3.907	40	30		DHEBRM
C/C(=N\c1cccc(C)c1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000104826151	563564995	/nfs/dbraw/zinc/56/49/95/563564995.db2.gz	OXOMDWNJKJMVKK-DEDYPNTBSA-N	-1	0	306.365	3.693	40	30		DHEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(C)c2)cc1	ZINC000002337176	563619668	/nfs/dbraw/zinc/61/96/68/563619668.db2.gz	ATSKITVXUHDGBU-WQRHYEAKSA-N	-1	0	324.409	3.807	40	30		DHEBRM
N#Cc1c(CCc2ccccc2)cc(-c2ccccc2)[n-]c1=O	ZINC000017013124	563626953	/nfs/dbraw/zinc/62/69/53/563626953.db2.gz	UVSLSSVRKPKVQF-UHFFFAOYSA-N	-1	0	300.361	3.699	40	30		DHEBRM
O=C([O-])COc1ccc(/C=N/c2cccc(F)c2)cc1Cl	ZINC000059250474	563770868	/nfs/dbraw/zinc/77/08/68/563770868.db2.gz	ZWPNGQFPTLPUJK-QGMBQPNBSA-N	-1	0	307.708	3.693	40	30		DHEBRM
Cc1ccc(C2=C([O-])C(=O)C(c3ccc(C)cc3)C(=O)C2=O)cc1	ZINC000001711016	563924885	/nfs/dbraw/zinc/92/48/85/563924885.db2.gz	QUOHQFDAFULRSX-UHFFFAOYSA-N	-1	0	320.344	3.694	40	30		DHEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)cc2)c1[O-]	ZINC000003155005	563942513	/nfs/dbraw/zinc/94/25/13/563942513.db2.gz	HUWXNIUMOBWDNM-LZYBPNLTSA-N	-1	0	306.705	3.713	40	30		DHEBRM
Cc1cc([O-])c(C(=O)/C=C/c2ccc3ccccc3c2)c(=O)o1	ZINC000006188577	181318161	/nfs/dbraw/zinc/31/81/61/181318161.db2.gz	MPYUIUONOASLSJ-VQHVLOKHSA-N	-1	0	306.317	3.703	40	30		DHEBRM
CCCCCCCCN1CCN=C1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000100933916	256567017	/nfs/dbraw/zinc/56/70/17/256567017.db2.gz	QKMHLUPRWLKKIJ-UHFFFAOYSA-N	-1	0	319.405	3.723	40	30		DHEBRM
Cc1ccc(/N=C\c2cccc(OCC(=O)[O-])c2)cc1Cl	ZINC000409210872	257220443	/nfs/dbraw/zinc/22/04/43/257220443.db2.gz	HHZKJLHVVUQACA-NVMNQCDNSA-N	-1	0	303.745	3.862	40	30		DHEBRM
COc1cccc(/C=N\c2cccc(C)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409241671	257220625	/nfs/dbraw/zinc/22/06/25/257220625.db2.gz	LJVKGMXPOTVYMH-LPXFMOJISA-N	-1	0	313.353	3.606	40	30		DHEBRM
COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Cl)c1[O-]	ZINC000409142014	257221911	/nfs/dbraw/zinc/22/19/11/257221911.db2.gz	AFTYARRWNYKOOY-CNHKJKLMSA-N	-1	0	304.733	3.886	40	30		DHEBRM
C[C@H](Oc1ccc(/C=N\c2ccc(Cl)cc2)cc1)C(=O)[O-]	ZINC000408848715	257226062	/nfs/dbraw/zinc/22/60/62/257226062.db2.gz	SMOXZKURFPOPNI-TZQXVGBESA-N	-1	0	303.745	3.943	40	30		DHEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc3ncccc3c2)cc1)C(=O)[O-]	ZINC000408853995	257226134	/nfs/dbraw/zinc/22/61/34/257226134.db2.gz	VGJMNHKYAZQKBB-LNOXHEFASA-N	-1	0	320.348	3.837	40	30		DHEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C)cc2)cc1	ZINC000001246215	563618468	/nfs/dbraw/zinc/61/84/68/563618468.db2.gz	AROZNJWMQROWNO-WQRHYEAKSA-N	-1	0	324.409	3.807	40	30		DHEBRM
CCCCCCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100933113	563647017	/nfs/dbraw/zinc/64/70/17/563647017.db2.gz	BKXJHDNMGIMDTI-KRWDZBQOSA-N	-1	0	300.402	3.955	40	30		DHEBRM
CCc1n[n-]c(=S)n1N=Cc1cccc(Cl)c1Cl	ZINC000006684819	181371031	/nfs/dbraw/zinc/37/10/31/181371031.db2.gz	SGPSXAHLFGZBIZ-MKMNVTDBSA-N	-1	0	301.202	3.692	40	30		DHEBRM
O=C([O-])c1ccccc1OCC(F)(F)C(F)(F)C(F)(F)F	ZINC000059033498	184133874	/nfs/dbraw/zinc/13/38/74/184133874.db2.gz	SBNJKKQESHZJIP-UHFFFAOYSA-N	-1	0	320.160	3.597	40	30		DHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\OCc2ccccc2)cc1	ZINC000408935172	257225158	/nfs/dbraw/zinc/22/51/58/257225158.db2.gz	MUSAZQHZDRMPHD-MOSHPQCFSA-N	-1	0	320.348	3.726	40	30		DHEBRM
COc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000408962835	257225417	/nfs/dbraw/zinc/22/54/17/257225417.db2.gz	KAIBXGUHNPPRCV-LZYBPNLTSA-N	-1	0	306.705	3.713	40	30		DHEBRM
CN(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000000257263	563606995	/nfs/dbraw/zinc/60/69/95/563606995.db2.gz	QTSVQZUWSPRAQN-PDGQHHTCSA-N	-1	0	323.425	3.556	40	30		DHEBRM
O=C([O-])/C=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000083324513	185222071	/nfs/dbraw/zinc/22/20/71/185222071.db2.gz	KBXCBBOPXFWBOU-VURMDHGXSA-N	-1	0	316.172	3.988	40	30		DHEBRM
Cc1cccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000108006163	185498382	/nfs/dbraw/zinc/49/83/82/185498382.db2.gz	QORWBEMTGMBNIY-NVMNQCDNSA-N	-1	0	303.745	3.862	40	30		DHEBRM
O=C([O-])c1ccc(C/N=C/c2cccn2-c2ccc(O)cc2)cc1	ZINC000409018290	257224157	/nfs/dbraw/zinc/22/41/57/257224157.db2.gz	KMKSUOZZDRIXRB-DEDYPNTBSA-N	-1	0	320.348	3.500	40	30		DHEBRM
COc1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000408955074	257225281	/nfs/dbraw/zinc/22/52/81/257225281.db2.gz	VWLGNYKRUJMYTL-DEDYPNTBSA-N	-1	0	320.348	3.935	40	30		DHEBRM
C[C@H](Oc1ccc(/C=N/c2ccc3ncccc3c2)cc1)C(=O)[O-]	ZINC000408853996	257226218	/nfs/dbraw/zinc/22/62/18/257226218.db2.gz	VGJMNHKYAZQKBB-XMOVILSBSA-N	-1	0	320.348	3.837	40	30		DHEBRM
C[C@H](Oc1ccc(/C=N/c2cccc(Cl)c2)cc1)C(=O)[O-]	ZINC000408853254	257226251	/nfs/dbraw/zinc/22/62/51/257226251.db2.gz	QKNMMGRACDSLIN-HPAYWCODSA-N	-1	0	303.745	3.943	40	30		DHEBRM
O=C([O-])COc1ccc(/C=N\c2ccccc2F)cc1Cl	ZINC000408855125	257226333	/nfs/dbraw/zinc/22/63/33/257226333.db2.gz	CHEJPUJWNQWBIR-LSCVHKIXSA-N	-1	0	307.708	3.693	40	30		DHEBRM
Cc1cc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1F	ZINC000408857303	257226381	/nfs/dbraw/zinc/22/63/81/257226381.db2.gz	NZKHENLLWODPGT-NJDFMEINSA-N	-1	0	301.317	3.737	40	30		DHEBRM
C=C1C(=O)c2ccccc2C([O-])=C1C(=O)C=Cc1ccccc1	ZINC000001584322	563286332	/nfs/dbraw/zinc/28/63/32/563286332.db2.gz	YVYQSKQQTPWMKY-VAWYXSNFSA-N	-1	0	302.329	3.665	40	30		DHEBRM
O=C([O-])c1ccccc1/C=C1\Cc2cc3c(cc2C1=O)CCC3	ZINC000001645330	563289399	/nfs/dbraw/zinc/28/93/99/563289399.db2.gz	UVRYHLMIVKQCHB-CXUHLZMHSA-N	-1	0	304.345	3.696	40	30		DHEBRM
C/C(=N\c1ccccc1C)c1c([O-])c2ccccc2n(C)c1=O	ZINC000104826145	563565022	/nfs/dbraw/zinc/56/50/22/563565022.db2.gz	VJRDZSDDSOAEGO-DEDYPNTBSA-N	-1	0	306.365	3.693	40	30		DHEBRM
Cc1ccsc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000137505560	563924658	/nfs/dbraw/zinc/92/46/58/563924658.db2.gz	FTZWSIFBZVILGD-UEAMHWONSA-N	-1	0	306.437	3.931	40	30		DHEBRM
CCN(CC)c1ccc(C=[NH+][N-]c2cccc(C(=O)[O-])c2)cc1	ZINC000006318340	181329969	/nfs/dbraw/zinc/32/99/69/181329969.db2.gz	PVTBUBMZXVCKRE-CPNJWEJPSA-N	-1	0	311.385	3.677	40	30		DHEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(F)cc2)cc1Cl	ZINC000059678769	256540971	/nfs/dbraw/zinc/54/09/71/256540971.db2.gz	DUAUMERIBQJYHV-QGMBQPNBSA-N	-1	0	307.708	3.693	40	30		DHEBRM
COc1cccc(/C=N/c2ccc(C)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409235996	257220927	/nfs/dbraw/zinc/22/09/27/257220927.db2.gz	RANDFUFEOBNMEO-MDBUFAAASA-N	-1	0	313.353	3.606	40	30		DHEBRM
C[C@@H](Oc1ccc(/C=N/c2cccc(Cl)c2)cc1)C(=O)[O-]	ZINC000408853255	257226240	/nfs/dbraw/zinc/22/62/40/257226240.db2.gz	QKNMMGRACDSLIN-VDCVXVNISA-N	-1	0	303.745	3.943	40	30		DHEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000036056557	520682669	/nfs/dbraw/zinc/68/26/69/520682669.db2.gz	YMCOUIHHXLRUSW-CKHUQHTPSA-N	-1	0	312.409	3.882	40	30		DHEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)cc1)O2	ZINC000085390118	563568354	/nfs/dbraw/zinc/56/83/54/563568354.db2.gz	FPZHCBCVPYHUBR-AUWJEWJLSA-N	-1	0	300.697	3.654	40	30		DHEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1cccc(Cl)c1)O2	ZINC000085390116	563568625	/nfs/dbraw/zinc/56/86/25/563568625.db2.gz	QNRBMSDFFFZHHI-AUWJEWJLSA-N	-1	0	300.697	3.654	40	30		DHEBRM