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-])[C@@H](CO)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000005374293	204206274	/nfs/dbraw/zinc/20/62/74/204206274.db2.gz	XZVLGZRDWYTLGI-RUKZRKJTSA-N	-1	0	369.851	2.456	40	10		FECBRM
CCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)[O-])cc1	ZINC000004831839	206180585	/nfs/dbraw/zinc/18/05/85/206180585.db2.gz	HVTGWLSYXUIULO-UWZWCOGJSA-N	-1	0	372.472	2.175	40	10		FECBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(C)C2=O)o1	ZINC000408909757	570698028	/nfs/dbraw/zinc/69/80/28/570698028.db2.gz	IJUVNWYAOPEECR-MDWZMJQESA-N	-1	0	370.386	2.210	40	10		FECBRM
CN1C(=O)/C(=C\c2ccc(C(=O)NC(C)(C)C(=O)[O-])cc2)SC1=S	ZINC000005374717	204205650	/nfs/dbraw/zinc/20/56/50/204205650.db2.gz	XIKSCTVCAMNQCQ-DHZHZOJOSA-N	-1	0	364.448	2.111	40	10		FECBRM
O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cn(C2CCC2)nn1)CC3	ZINC000656612600	571110815	/nfs/dbraw/zinc/11/08/15/571110815.db2.gz	GWUFKLOZBVTVBH-FLIBITNWSA-N	-1	0	363.377	2.356	40	10		FECBRM
C[NH+](C)Cc1c([O-])c(Br)c(C(=O)[O-])c(Br)c1O	ZINC000003843503	204112009	/nfs/dbraw/zinc/11/20/09/204112009.db2.gz	QZGXIFCZXPYBPI-UHFFFAOYSA-N	-1	0	369.009	2.383	40	10		FECBRM
C[C@H]1C[C@@]2(C[C@@](C)(C3=NC([N-]c4ccccc4)=S=C3)OC2=O)C(=O)O1	ZINC000102631632	205977380	/nfs/dbraw/zinc/97/73/80/205977380.db2.gz	REKKQBUWJUBXAW-FJNPEDAXSA-N	-1	0	358.419	2.203	40	10		FECBRM
CC/C(C)=C1/C(=O)[N-]N(c2ccc(I)cc2)C1=O	ZINC000013562091	206305111	/nfs/dbraw/zinc/30/51/11/206305111.db2.gz	ITQYGYQVGRSENS-FLIBITNWSA-N	-1	0	356.163	2.396	40	10		FECBRM
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1ccccc1	ZINC000408892741	263504289	/nfs/dbraw/zinc/50/42/89/263504289.db2.gz	CCXZDWIISCVWTR-UHFFFAOYSA-N	-1	0	352.346	2.024	40	10		FECBRM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000408530576	558685679	/nfs/dbraw/zinc/68/56/79/558685679.db2.gz	JGLFMAVKFBSPTA-FOWTUZBSSA-N	-1	0	353.353	2.443	40	10		FECBRM
Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CN(C)C)C2=O)ccc1Br	ZINC000408529075	558686011	/nfs/dbraw/zinc/68/60/11/558686011.db2.gz	GWNCYUYMINEPQG-JXMROGBWSA-N	-1	0	366.215	2.094	40	10		FECBRM
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)c2C)cc1	ZINC000408591066	558687726	/nfs/dbraw/zinc/68/77/26/558687726.db2.gz	IFTNIRZLSYYHJG-CXUHLZMHSA-N	-1	0	369.377	2.080	40	10		FECBRM
COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000408743068	558689240	/nfs/dbraw/zinc/68/92/40/558689240.db2.gz	ZCSZRBJRORVAII-RVDMUPIBSA-N	-1	0	350.330	2.140	40	10		FECBRM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1	ZINC000408917577	558689922	/nfs/dbraw/zinc/68/99/22/558689922.db2.gz	XQDSMYBPGUNOQF-GHXNOFRVSA-N	-1	0	358.350	2.068	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Cl	ZINC000409391913	570755766	/nfs/dbraw/zinc/75/57/66/570755766.db2.gz	KHILIIPOGVSWNM-XYOKQWHBSA-N	-1	0	357.753	2.410	40	10		FECBRM
CCOc1c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cccc1OC	ZINC000008023085	539474779	/nfs/dbraw/zinc/47/47/79/539474779.db2.gz	VZODGZACDXCZMB-XFFZJAGNSA-N	-1	0	353.421	2.380	40	10		FECBRM
COc1ccc(NC(=O)CC(C)=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000016952203	539637367	/nfs/dbraw/zinc/63/73/67/539637367.db2.gz	DHPBLXNMPOPRQI-QGOAFFKASA-N	-1	0	365.389	2.418	40	10		FECBRM
C#CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000034835251	539977650	/nfs/dbraw/zinc/97/76/50/539977650.db2.gz	LBVMFSLNZWTLPX-VBKFSLOCSA-N	-1	0	363.329	2.068	40	10		FECBRM
COc1ccc(/N=N\C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)[O-])cc1	ZINC000104314253	205999826	/nfs/dbraw/zinc/99/98/26/205999826.db2.gz	LPSDXVIOWJBFPN-YSGBTYPNSA-N	-1	0	350.375	2.104	40	10		FECBRM
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[n-]n1C(=O)c1cccnc1	ZINC000100643970	543025461	/nfs/dbraw/zinc/02/54/61/543025461.db2.gz	XJMIRWYJCIHGRD-HNENSFHCSA-N	-1	0	353.298	2.166	40	10		FECBRM
C[C@@H]1C[C@]2(C[C@@](C)(C3=NC([N-]c4ccccc4)=S=C3)OC2=O)C(=O)O1	ZINC000102631635	543074996	/nfs/dbraw/zinc/07/49/96/543074996.db2.gz	REKKQBUWJUBXAW-VQTKTOELSA-N	-1	0	358.419	2.203	40	10		FECBRM
CCCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000107784042	543278191	/nfs/dbraw/zinc/27/81/91/543278191.db2.gz	OJEFGWAOLWDZEL-UHFFFAOYSA-N	-1	0	367.199	2.377	40	10		FECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1O	ZINC000409372876	570754035	/nfs/dbraw/zinc/75/40/35/570754035.db2.gz	NNAKSLCLPNMNJJ-MDWZMJQESA-N	-1	0	356.334	2.046	40	10		FECBRM
C[C@@H]1C[C@@]2(C[C@@](C)(C3=NC([N-]c4ccccc4)=S=C3)OC2=O)C(=O)O1	ZINC000102631629	205978005	/nfs/dbraw/zinc/97/80/05/205978005.db2.gz	REKKQBUWJUBXAW-CNOZUTPLSA-N	-1	0	358.419	2.203	40	10		FECBRM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Cl)c1O	ZINC000013058458	206299754	/nfs/dbraw/zinc/29/97/54/206299754.db2.gz	KUIWEMNAWDTKLV-WTKPLQERSA-N	-1	0	359.812	2.340	40	10		FECBRM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1[N+](=O)[O-]	ZINC000408547069	558686893	/nfs/dbraw/zinc/68/68/93/558686893.db2.gz	LLZVLZPOKIAFQL-JYRVWZFOSA-N	-1	0	370.321	2.071	40	10		FECBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3)C2=O)cc1	ZINC000006579935	539430797	/nfs/dbraw/zinc/43/07/97/539430797.db2.gz	JOBNOTDCVBAWGK-PTNGSMBKSA-N	-1	0	350.330	2.140	40	10		FECBRM
Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNO)C2=O)cc1C	ZINC000016267912	539629041	/nfs/dbraw/zinc/62/90/41/539629041.db2.gz	BUOFBRYMBBIBHL-YVMONPNESA-N	-1	0	354.160	2.352	40	10		FECBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O	ZINC000408758095	558689501	/nfs/dbraw/zinc/68/95/01/558689501.db2.gz	VFESPWAPXYVNMB-MDWZMJQESA-N	-1	0	353.382	2.222	40	10		FECBRM
COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c1	ZINC000408999837	570710547	/nfs/dbraw/zinc/71/05/47/570710547.db2.gz	WDOPSPJIJOFMEZ-UHFFFAOYSA-N	-1	0	374.736	2.136	40	10		FECBRM
COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000035128895	539979298	/nfs/dbraw/zinc/97/92/98/539979298.db2.gz	TWSMYJYUXHVTOL-KAECEXQPSA-N	-1	0	366.373	2.088	40	10		FECBRM
CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])SC1=S	ZINC000059514309	540865317	/nfs/dbraw/zinc/86/53/17/540865317.db2.gz	DUBDSCVYSYXVQD-RUDMXATFSA-N	-1	0	355.353	2.430	40	10		FECBRM
CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCC(=O)[O-])SC1=S	ZINC000008618735	204337195	/nfs/dbraw/zinc/33/71/95/204337195.db2.gz	ZVQAHFIRHGDKGK-IZZDOVSWSA-N	-1	0	368.392	2.279	40	10		FECBRM
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[n-]n1C(=O)c1ccccc1N	ZINC000100643963	543025434	/nfs/dbraw/zinc/02/54/34/543025434.db2.gz	LFRSAUQVMRADKD-VXPUYCOJSA-N	-1	0	367.325	2.353	40	10		FECBRM
CN(C)c1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C(F)(F)F)nn32)cc1	ZINC000102335895	543065210	/nfs/dbraw/zinc/06/52/10/543065210.db2.gz	PQEXVPGUBVFXLC-NSHDSACASA-N	-1	0	353.304	2.346	40	10		FECBRM
COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000408915494	558689845	/nfs/dbraw/zinc/68/98/45/558689845.db2.gz	WHGQILPMYRFKJI-OQLLNIDSSA-N	-1	0	368.320	2.279	40	10		FECBRM
Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000409108048	570727084	/nfs/dbraw/zinc/72/70/84/570727084.db2.gz	VHGABWLICWLXOK-UKTHLTGXSA-N	-1	0	374.194	2.454	40	10		FECBRM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000004992983	206186298	/nfs/dbraw/zinc/18/62/98/206186298.db2.gz	LWAANWQXYIOOER-MDWZMJQESA-N	-1	0	374.393	2.117	40	10		FECBRM
CCOc1ccccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000110510834	543359739	/nfs/dbraw/zinc/35/97/39/543359739.db2.gz	HEFFYGQTNSFFMA-RAXLEYEMSA-N	-1	0	355.350	2.253	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(F)cc2)c1	ZINC000408806955	558689763	/nfs/dbraw/zinc/68/97/63/558689763.db2.gz	NSHDNZVZXXQACC-UHFFFAOYSA-N	-1	0	370.336	2.163	40	10		FECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C)c3C)C2=O)cc1	ZINC000408783312	558689834	/nfs/dbraw/zinc/68/98/34/558689834.db2.gz	MKJLLCIFRQPOML-MHWRWJLKSA-N	-1	0	353.378	2.317	40	10		FECBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)c1	ZINC000408899352	570696201	/nfs/dbraw/zinc/69/62/01/570696201.db2.gz	ORGFXRNPNKNQHU-RIYZIHGNSA-N	-1	0	352.346	2.381	40	10		FECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1	ZINC000408899905	570696230	/nfs/dbraw/zinc/69/62/30/570696230.db2.gz	RTDNHGZZOMQDTF-OQLLNIDSSA-N	-1	0	368.345	2.076	40	10		FECBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)o1	ZINC000002302115	132383253	/nfs/dbraw/zinc/38/32/53/132383253.db2.gz	DBHKABLYSCQSMV-PKNBQFBNSA-N	-1	0	359.382	2.316	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000408811350	558689963	/nfs/dbraw/zinc/68/99/63/558689963.db2.gz	VIVRUIWNUMVABI-NTEUORMPSA-N	-1	0	368.345	2.076	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(Cc2cccc(F)c2)c1	ZINC000408876700	570694771	/nfs/dbraw/zinc/69/47/71/570694771.db2.gz	QBPIEVLEBOXPHL-UHFFFAOYSA-N	-1	0	354.337	2.175	40	10		FECBRM
Cc1c(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cccc1[N+](=O)[O-]	ZINC000105484128	543174498	/nfs/dbraw/zinc/17/44/98/543174498.db2.gz	ZXAQSIJLTDELAM-WQLSENKSSA-N	-1	0	370.321	2.071	40	10		FECBRM
Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)[N-]C(=O)N(C)C1=O	ZINC000408757387	558689321	/nfs/dbraw/zinc/68/93/21/558689321.db2.gz	MUWOPJWGHNDWLH-OQLLNIDSSA-N	-1	0	352.394	2.198	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1O	ZINC000408775653	558690094	/nfs/dbraw/zinc/69/00/94/558690094.db2.gz	QYCXCWAIJJMNBS-NTEUORMPSA-N	-1	0	352.346	2.376	40	10		FECBRM
COc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])CC2)cc1	ZINC000006715607	539434701	/nfs/dbraw/zinc/43/47/01/539434701.db2.gz	ZLMRXHAVINLZGK-BODMPHMZSA-N	-1	0	358.438	2.091	40	10		FECBRM
COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)[O-])cc1	ZINC000017261108	539640836	/nfs/dbraw/zinc/64/08/36/539640836.db2.gz	LPSDXVIOWJBFPN-ZIPFOMIPSA-N	-1	0	350.375	2.104	40	10		FECBRM
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[n-]n1C(=O)c1cccnc1	ZINC000068602569	541612793	/nfs/dbraw/zinc/61/27/93/541612793.db2.gz	XJMIRWYJCIHGRD-VHEBQXMUSA-N	-1	0	353.298	2.166	40	10		FECBRM
CC(C)c1ccc(/C=C2\SC(=S)N([C@H](CO)C(=O)[O-])C2=O)cc1	ZINC000005374237	207096669	/nfs/dbraw/zinc/09/66/69/207096669.db2.gz	VKXXWWBXFLZZEO-BFTHVDOESA-N	-1	0	351.449	2.457	40	10		FECBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc2ncccc2c1	ZINC000408965184	570704710	/nfs/dbraw/zinc/70/47/10/570704710.db2.gz	HDXLAUYWNPXGHO-UHFFFAOYSA-N	-1	0	360.373	2.392	40	10		FECBRM
COC(=O)[C@@H](C)Oc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000035339590	539980734	/nfs/dbraw/zinc/98/07/34/539980734.db2.gz	UVAOWRFLKDSWLF-KAECEXQPSA-N	-1	0	366.373	2.088	40	10		FECBRM
COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000058865747	263415759	/nfs/dbraw/zinc/41/57/59/263415759.db2.gz	VJOJCZPHWYRNLH-UHFFFAOYSA-N	-1	0	363.322	2.453	40	10		FECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cn3)C2=O)cc1	ZINC000408533738	558686204	/nfs/dbraw/zinc/68/62/04/558686204.db2.gz	OYNQRXGCYYRKKU-LCYFTJDESA-N	-1	0	372.768	2.322	40	10		FECBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1Cc1ccccc1	ZINC000408593082	558687713	/nfs/dbraw/zinc/68/77/13/558687713.db2.gz	OVMRNZYAUAACFJ-CXUHLZMHSA-N	-1	0	353.378	2.131	40	10		FECBRM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1cccc(Cl)c1	ZINC000408766959	558689746	/nfs/dbraw/zinc/68/97/46/558689746.db2.gz	XUMZWPPODLFSAA-UHFFFAOYSA-N	-1	0	370.748	2.309	40	10		FECBRM
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408768331	558690006	/nfs/dbraw/zinc/69/00/06/558690006.db2.gz	IACUYCHJECUREB-FBKCMUNRSA-N	-1	0	371.389	2.236	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(OC)c1C	ZINC000409392630	570755932	/nfs/dbraw/zinc/75/59/32/570755932.db2.gz	MZPZYAHHVCVJGU-GXDHUFHOSA-N	-1	0	367.361	2.074	40	10		FECBRM
O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)ccc1O	ZINC000020064359	539672255	/nfs/dbraw/zinc/67/22/55/539672255.db2.gz	QGTSDTDAIMYNJH-UHFFFAOYSA-N	-1	0	358.331	2.105	40	10		FECBRM
O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@@H](c2ccc(O)c(O)c2)C1	ZINC000102335839	209234848	/nfs/dbraw/zinc/23/48/48/209234848.db2.gz	APFBELAGPAJBIO-CYBMUJFWSA-N	-1	0	350.334	2.340	40	10		FECBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1Cc1cccc(F)c1	ZINC000408869263	570694109	/nfs/dbraw/zinc/69/41/09/570694109.db2.gz	RUUCEJZSERURQA-UHFFFAOYSA-N	-1	0	354.337	2.175	40	10		FECBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000004999335	539398507	/nfs/dbraw/zinc/39/85/07/539398507.db2.gz	MUIQLMHKYMTGGE-NTEUORMPSA-N	-1	0	358.394	2.417	40	10		FECBRM
C#CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	ZINC000033551736	539974714	/nfs/dbraw/zinc/97/47/14/539974714.db2.gz	VVWHIFHIKZUOTC-QINSGFPZSA-N	-1	0	363.329	2.068	40	10		FECBRM
CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	ZINC000033551730	539974804	/nfs/dbraw/zinc/97/48/04/539974804.db2.gz	WZDQJBULISYBTD-KAMYIIQDSA-N	-1	0	353.334	2.455	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(O)c1	ZINC000408891630	263504319	/nfs/dbraw/zinc/50/43/19/263504319.db2.gz	UDXZGDILJNEQSZ-OQLLNIDSSA-N	-1	0	352.346	2.376	40	10		FECBRM
COc1cc(C)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000408548069	558686915	/nfs/dbraw/zinc/68/69/15/558686915.db2.gz	CROYZQGMMLBUFE-WUXMJOGZSA-N	-1	0	353.421	2.298	40	10		FECBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc2ncccc2c1	ZINC000408547031	558686726	/nfs/dbraw/zinc/68/67/26/558686726.db2.gz	GBULTCTVDATHFZ-GDNBJRDFSA-N	-1	0	362.345	2.402	40	10		FECBRM
COCCCN1C(=O)/C(=C\c2ccccc2C(=O)[O-])C(C(=O)OC)=C1C	ZINC000408796839	558690142	/nfs/dbraw/zinc/69/01/42/558690142.db2.gz	ZIDRFLJHQPGWCU-PTNGSMBKSA-N	-1	0	359.378	2.094	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(Cc2ccccc2F)c1	ZINC000408874249	570694124	/nfs/dbraw/zinc/69/41/24/570694124.db2.gz	AOJHKSSGQLZPGW-UHFFFAOYSA-N	-1	0	354.337	2.175	40	10		FECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OC	ZINC000409373545	570754042	/nfs/dbraw/zinc/75/40/42/570754042.db2.gz	UQNPFUJNAAVPIF-NTEUORMPSA-N	-1	0	370.361	2.349	40	10		FECBRM
COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000017261117	539640648	/nfs/dbraw/zinc/64/06/48/539640648.db2.gz	OPIRBQFWEHOLSR-IIQIJDNVSA-N	-1	0	364.402	2.493	40	10		FECBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/N1CCCc2ccccc21	ZINC000032110854	539930037	/nfs/dbraw/zinc/93/00/37/539930037.db2.gz	WHRXWBIVBWSNJE-NTCAYCPXSA-N	-1	0	351.362	2.195	40	10		FECBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000005248138	207090625	/nfs/dbraw/zinc/09/06/25/207090625.db2.gz	NEJALORAPUURRG-UVTDQMKNSA-N	-1	0	352.350	2.122	40	10		FECBRM
CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1C	ZINC000408757762	558689373	/nfs/dbraw/zinc/68/93/73/558689373.db2.gz	QVBDJKZXJKAAFS-GXDHUFHOSA-N	-1	0	353.382	2.099	40	10		FECBRM
CCOC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000001277145	539340986	/nfs/dbraw/zinc/34/09/86/539340986.db2.gz	PFTCOKGPPXBFPK-XFFZJAGNSA-N	-1	0	351.405	2.149	40	10		FECBRM
COCCn1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1C	ZINC000013425560	539586881	/nfs/dbraw/zinc/58/68/81/539586881.db2.gz	NFBGVSSPSPZRLC-YBEGLDIGSA-N	-1	0	371.393	2.006	40	10		FECBRM
COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000035128893	539978983	/nfs/dbraw/zinc/97/89/83/539978983.db2.gz	TWSMYJYUXHVTOL-IGWPVBGESA-N	-1	0	366.373	2.088	40	10		FECBRM
CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	ZINC000059109620	540863457	/nfs/dbraw/zinc/86/34/57/540863457.db2.gz	QNUFLHVSXPBJCC-UKTHLTGXSA-N	-1	0	355.306	2.337	40	10		FECBRM
CN1C(=O)C(=Cc2cc(Cl)cc(Br)c2[O-])C(=O)N(C)C1=O	ZINC000006320523	207137175	/nfs/dbraw/zinc/13/71/75/207137175.db2.gz	RPFYRHHQNDFZCZ-UHFFFAOYSA-N	-1	0	373.590	2.242	40	10		FECBRM
CCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)[O-])cc1	ZINC000004831840	539393362	/nfs/dbraw/zinc/39/33/62/539393362.db2.gz	HVTGWLSYXUIULO-ZGTROFRASA-N	-1	0	372.472	2.175	40	10		FECBRM
O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@H](c2ccc(O)c(O)c2)C1	ZINC000102335835	222294877	/nfs/dbraw/zinc/29/48/77/222294877.db2.gz	APFBELAGPAJBIO-ZDUSSCGKSA-N	-1	0	350.334	2.340	40	10		FECBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cccc(C)c1	ZINC000113834796	263452079	/nfs/dbraw/zinc/45/20/79/263452079.db2.gz	JUERKIKSDRJQLG-UHFFFAOYSA-N	-1	0	366.373	2.332	40	10		FECBRM
O=C([O-])COc1ccc(C=C2SC(=S)NC2=O)cc1Br	ZINC000408529063	558685598	/nfs/dbraw/zinc/68/55/98/558685598.db2.gz	GWEHDCSUPVMPDH-WTKPLQERSA-N	-1	0	374.237	2.401	40	10		FECBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1	ZINC000408948180	570702544	/nfs/dbraw/zinc/70/25/44/570702544.db2.gz	DYZADKMOIDEIOO-RIYZIHGNSA-N	-1	0	366.329	2.090	40	10		FECBRM
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408996971	570709097	/nfs/dbraw/zinc/70/90/97/570709097.db2.gz	FSHAKPZWGZZMDA-PTNGSMBKSA-N	-1	0	359.378	2.094	40	10		FECBRM
COc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)c(OC)c1	ZINC000059594927	540865324	/nfs/dbraw/zinc/86/53/24/540865324.db2.gz	UJWMGSAINWNYFH-XYOKQWHBSA-N	-1	0	358.375	2.128	40	10		FECBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC	ZINC000107851103	543279623	/nfs/dbraw/zinc/27/96/23/543279623.db2.gz	ASBDWIDTRPDNQF-JYRVWZFOSA-N	-1	0	369.333	2.073	40	10		FECBRM
O=C([O-])[C@@H](CO)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374342	539409263	/nfs/dbraw/zinc/40/92/63/539409263.db2.gz	TZBZYQCXKZBVEK-BABIGQSTSA-N	-1	0	361.803	2.126	40	10		FECBRM
C=C(c1cccc(OC)c1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000035041581	539979034	/nfs/dbraw/zinc/97/90/34/539979034.db2.gz	YBHSNLWNTKPEGT-XFXZXTDPSA-N	-1	0	373.477	2.174	40	10		FECBRM
COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)c(C)c1	ZINC000208499121	548665515	/nfs/dbraw/zinc/66/55/15/548665515.db2.gz	SQNLFRWLXREZIP-DHDCSXOGSA-N	-1	0	353.378	2.369	40	10		FECBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1F	ZINC000408595092	558687588	/nfs/dbraw/zinc/68/75/88/558687588.db2.gz	VOXIHOAALSHKBD-RIYZIHGNSA-N	-1	0	357.341	2.211	40	10		FECBRM
COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409122804	570728504	/nfs/dbraw/zinc/72/85/04/570728504.db2.gz	BVLPCYQQLLRQBL-RIYZIHGNSA-N	-1	0	362.407	2.416	40	10		FECBRM
COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc(OC)c1	ZINC000004745228	539392326	/nfs/dbraw/zinc/39/23/26/539392326.db2.gz	QGBJJKBWSCJJKL-QJZKUFFDSA-N	-1	0	353.421	2.378	40	10		FECBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000059475164	540864801	/nfs/dbraw/zinc/86/48/01/540864801.db2.gz	NEJALORAPUURRG-GXDHUFHOSA-N	-1	0	352.350	2.122	40	10		FECBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1cccc(F)c1	ZINC000408595940	558687668	/nfs/dbraw/zinc/68/76/68/558687668.db2.gz	XYEHHMBLPFANIX-VIZOYTHASA-N	-1	0	357.341	2.211	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O	ZINC000408890741	570695118	/nfs/dbraw/zinc/69/51/18/570695118.db2.gz	YMWJZSYNMFJSDU-MDWZMJQESA-N	-1	0	358.737	2.418	40	10		FECBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O	ZINC000409232820	570744462	/nfs/dbraw/zinc/74/44/62/570744462.db2.gz	SGLSLMKRCAJHMM-SDNWHVSQSA-N	-1	0	352.346	2.457	40	10		FECBRM
O=C1/C(=C\c2ccc[nH]2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000005552861	210629020	/nfs/dbraw/zinc/62/90/20/210629020.db2.gz	GXBGHLJRXXIVDR-FMIVXFBMSA-N	-1	0	365.461	2.109	40	10		FECBRM
CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)[O-])C2=O)cc1	ZINC000005374236	210616514	/nfs/dbraw/zinc/61/65/14/210616514.db2.gz	VKXXWWBXFLZZEO-BPLGCGBFSA-N	-1	0	351.449	2.457	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(O)c1	ZINC000408886172	263503794	/nfs/dbraw/zinc/50/37/94/263503794.db2.gz	DVMBIXQPGVJPHQ-NTEUORMPSA-N	-1	0	352.346	2.376	40	10		FECBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000408537235	558686558	/nfs/dbraw/zinc/68/65/58/558686558.db2.gz	ZQIRGICEMAQNQE-JXMROGBWSA-N	-1	0	359.773	2.259	40	10		FECBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408996841	570709016	/nfs/dbraw/zinc/70/90/16/570709016.db2.gz	FFSSKWHRAUZINE-YRNVUSSQSA-N	-1	0	356.359	2.452	40	10		FECBRM
O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005371840	210616957	/nfs/dbraw/zinc/61/69/57/210616957.db2.gz	NOFQQKCTJRWUSQ-YFHOEESVSA-N	-1	0	363.869	2.429	40	10		FECBRM
COC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000409192428	570738010	/nfs/dbraw/zinc/73/80/10/570738010.db2.gz	CIYQGWCSLIZCKS-UHFFFAOYSA-N	-1	0	374.736	2.136	40	10		FECBRM
CCOc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1	ZINC000005372259	210617350	/nfs/dbraw/zinc/61/73/50/210617350.db2.gz	URHKBTUAHUPKHY-XFXZXTDPSA-N	-1	0	373.477	2.174	40	10		FECBRM
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000001277047	539340992	/nfs/dbraw/zinc/34/09/92/539340992.db2.gz	IUIGRXPPGWDYGK-XNYAHFKXSA-N	-1	0	351.405	2.148	40	10		FECBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000035107274	539979308	/nfs/dbraw/zinc/97/93/08/539979308.db2.gz	IHZKIFBMSMBBCI-PTNGSMBKSA-N	-1	0	363.329	2.068	40	10		FECBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1cc(Cl)ccc1O	ZINC000106600204	543241074	/nfs/dbraw/zinc/24/10/74/543241074.db2.gz	CNBCELIQPAUPSG-XFFZJAGNSA-N	-1	0	361.741	2.213	40	10		FECBRM
CCc1nc(SC(=Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])n[nH]1	ZINC000007342622	539455937	/nfs/dbraw/zinc/45/59/37/539455937.db2.gz	MBUDXRUMGWUAGL-SDNWHVSQSA-N	-1	0	360.439	2.422	40	10		FECBRM
CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000035044188	539979258	/nfs/dbraw/zinc/97/92/58/539979258.db2.gz	HZYAFLIZAWTZIF-UVTDQMKNSA-N	-1	0	353.334	2.455	40	10		FECBRM
COC(=O)[C@H](C)Oc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033684293	539975467	/nfs/dbraw/zinc/97/54/67/539975467.db2.gz	ZOMAUIZRUQOOMS-WIOAZZGGSA-N	-1	0	366.373	2.088	40	10		FECBRM
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[n-]n1C(=O)c1ccccc1N	ZINC000068602534	221316483	/nfs/dbraw/zinc/31/64/83/221316483.db2.gz	LFRSAUQVMRADKD-FMQUCBEESA-N	-1	0	367.325	2.353	40	10		FECBRM
CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000108127275	543282828	/nfs/dbraw/zinc/28/28/28/543282828.db2.gz	YDPOMJSVWUVXSX-PTNGSMBKSA-N	-1	0	353.334	2.455	40	10		FECBRM
Nc1cc(N)c(S(=O)(=O)[O-])cc1NN=C1C=C([N+](=O)[O-])C=CC1=O	ZINC000104369989	222354982	/nfs/dbraw/zinc/35/49/82/222354982.db2.gz	PNSZUHGNMLTLEA-NXVVXOECSA-N	-1	0	353.316	2.127	40	10		FECBRM
COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000008569670	263355987	/nfs/dbraw/zinc/35/59/87/263355987.db2.gz	HTQCEXTXKGCJQG-ZROIWOOFSA-N	-1	0	362.407	2.225	40	10		FECBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNNc3ccccc3)C2=O)c1	ZINC000408534062	558686372	/nfs/dbraw/zinc/68/63/72/558686372.db2.gz	UQVHTPKHYLJXEZ-RVDMUPIBSA-N	-1	0	350.378	2.387	40	10		FECBRM
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408768334	558690022	/nfs/dbraw/zinc/69/00/22/558690022.db2.gz	IACUYCHJECUREB-KWZJRMENSA-N	-1	0	371.389	2.236	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1O	ZINC000408912399	558690012	/nfs/dbraw/zinc/69/00/12/558690012.db2.gz	QPQRDMVOYKESAH-NTUHNPAUSA-N	-1	0	356.309	2.206	40	10		FECBRM
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)c1	ZINC000408807319	558690104	/nfs/dbraw/zinc/69/01/04/558690104.db2.gz	BTGYGOKWCLIQMS-YBEGLDIGSA-N	-1	0	353.378	2.451	40	10		FECBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000409021571	570713497	/nfs/dbraw/zinc/71/34/97/570713497.db2.gz	NWWZGIOMGPJCDK-UKTHLTGXSA-N	-1	0	359.382	2.316	40	10		FECBRM
CC(C)OC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1	ZINC000004853178	539394327	/nfs/dbraw/zinc/39/43/27/539394327.db2.gz	RYYSURLYGOXITN-UHFFFAOYSA-N	-1	0	368.345	2.261	40	10		FECBRM
O=C([O-])[C@H](CO)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374339	539409251	/nfs/dbraw/zinc/40/92/51/539409251.db2.gz	TZBZYQCXKZBVEK-SGRPLGENSA-N	-1	0	361.803	2.126	40	10		FECBRM
O=C([O-])[C@@H]1CC(c2ccc(Cl)cc2)=NN1/C=C1\SC(=S)NC1=O	ZINC000256028235	223001185	/nfs/dbraw/zinc/00/11/85/223001185.db2.gz	ZMVPMSNKPZGYHA-OYUORYAFSA-N	-1	0	367.839	2.192	40	10		FECBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000013099284	220057018	/nfs/dbraw/zinc/05/70/18/220057018.db2.gz	TZERFUCXCBLOGZ-MJWGMMHASA-N	-1	0	357.395	2.209	40	10	in-vitro	FECBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1	ZINC000408837535	558689873	/nfs/dbraw/zinc/68/98/73/558689873.db2.gz	HZICDNYMWMYMAP-UHFFFAOYSA-N	-1	0	368.345	2.387	40	10		FECBRM
O=C([N-]N1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1[N+](=O)[O-]	ZINC000005552850	219688207	/nfs/dbraw/zinc/68/82/07/219688207.db2.gz	HOOZALVNXIVCHI-WQLSENKSSA-N	-1	0	374.403	2.469	40	10		FECBRM
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000105523529	543175125	/nfs/dbraw/zinc/17/51/25/543175125.db2.gz	YCWAFSWHTIDEII-PTNGSMBKSA-N	-1	0	359.378	2.094	40	10		FECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCCO4)C2=O)cc1	ZINC000408899940	570696072	/nfs/dbraw/zinc/69/60/72/570696072.db2.gz	QNYQDKLKTWRMDG-XNTDXEJSSA-N	-1	0	364.357	2.433	40	10		FECBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000409404031	570757603	/nfs/dbraw/zinc/75/76/03/570757603.db2.gz	BMKMZRZWGQYXLO-ATVHPVEESA-N	-1	0	366.373	2.090	40	10		FECBRM
COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000017261114	220212085	/nfs/dbraw/zinc/21/20/85/220212085.db2.gz	OPIRBQFWEHOLSR-XESANNGCSA-N	-1	0	364.402	2.493	40	10		FECBRM
COc1ccc(/N=N\C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000104314258	222356137	/nfs/dbraw/zinc/35/61/37/222356137.db2.gz	OPIRBQFWEHOLSR-HGLYGGTCSA-N	-1	0	364.402	2.493	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c(OC)c1	ZINC000408802720	558690083	/nfs/dbraw/zinc/69/00/83/558690083.db2.gz	GNDQIWIFMAEWMK-OQLLNIDSSA-N	-1	0	368.345	2.076	40	10		FECBRM
Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1	ZINC000408951653	570702423	/nfs/dbraw/zinc/70/24/23/570702423.db2.gz	MGRDGKSRVANYGI-RIYZIHGNSA-N	-1	0	350.330	2.390	40	10		FECBRM
CN1C(=O)/C(=C/c2ccc(C(=O)NCCCC(=O)[O-])cc2)SC1=S	ZINC000005374707	539409371	/nfs/dbraw/zinc/40/93/71/539409371.db2.gz	LTDGRFITVXZTIZ-XFXZXTDPSA-N	-1	0	364.448	2.112	40	10		FECBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408804425	558689798	/nfs/dbraw/zinc/68/97/98/558689798.db2.gz	FWHPLXOEQNPJPA-NTEUORMPSA-N	-1	0	367.317	2.270	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(F)c1	ZINC000408947312	570702021	/nfs/dbraw/zinc/70/20/21/570702021.db2.gz	BYJPSLVJOPRYRQ-NTUHNPAUSA-N	-1	0	354.293	2.221	40	10		FECBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000002211925	539345470	/nfs/dbraw/zinc/34/54/70/539345470.db2.gz	ZGMBYGVZIKUKEF-UXBLZVDNSA-N	-1	0	365.139	2.297	40	10		FECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	ZINC000005125624	539403676	/nfs/dbraw/zinc/40/36/76/539403676.db2.gz	JAQBSGDFNSRHEJ-WJDWOHSUSA-N	-1	0	352.346	2.457	40	10		FECBRM
CC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000110357930	543356440	/nfs/dbraw/zinc/35/64/40/543356440.db2.gz	ZZXHOKBABNPAOI-DHDCSXOGSA-N	-1	0	353.334	2.057	40	10		FECBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2	ZINC000408547095	558686573	/nfs/dbraw/zinc/68/65/73/558686573.db2.gz	VCRMDTLKMUNXNV-YBEGLDIGSA-N	-1	0	369.421	2.300	40	10		FECBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000408547034	558686866	/nfs/dbraw/zinc/68/68/66/558686866.db2.gz	GPIXHBGBJZWDED-GDNBJRDFSA-N	-1	0	355.350	2.253	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(O)c1	ZINC000408892060	570695582	/nfs/dbraw/zinc/69/55/82/570695582.db2.gz	AJVYPNKQGKEQJD-OQLLNIDSSA-N	-1	0	352.346	2.376	40	10		FECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3cccc(C)c3)C2=O)cc1	ZINC000408535663	558686438	/nfs/dbraw/zinc/68/64/38/558686438.db2.gz	UEBLCZDOCJQXHM-WJDWOHSUSA-N	-1	0	366.377	2.087	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/C=C/c1ccco1	ZINC000408955210	570702484	/nfs/dbraw/zinc/70/24/84/570702484.db2.gz	TZXBMFGQENRBQF-GRWPVRQFSA-N	-1	0	352.302	2.231	40	10		FECBRM
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000001277045	539341068	/nfs/dbraw/zinc/34/10/68/539341068.db2.gz	IUIGRXPPGWDYGK-CLUBXZQOSA-N	-1	0	351.405	2.148	40	10		FECBRM
O=C1c2cccc(S(=O)(=O)[O-])c2C(=O)c2c(Cl)ccc([N+](=O)[O-])c21	ZINC000004783231	204163081	/nfs/dbraw/zinc/16/30/81/204163081.db2.gz	CZZFIABCNJUYFY-UHFFFAOYSA-N	-1	0	367.722	2.270	40	10		FECBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OCC#N)c1	ZINC000107715971	543277119	/nfs/dbraw/zinc/27/71/19/543277119.db2.gz	IKGJNPDQBLAFMZ-ATVHPVEESA-N	-1	0	362.389	2.116	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(C)cc2)c1	ZINC000408819470	558690051	/nfs/dbraw/zinc/69/00/51/558690051.db2.gz	XFDZTPZZZADDNH-UHFFFAOYSA-N	-1	0	366.373	2.332	40	10		FECBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1	ZINC000408828386	558690066	/nfs/dbraw/zinc/69/00/66/558690066.db2.gz	MVNXRZZUZHWVAR-UHFFFAOYSA-N	-1	0	368.345	2.387	40	10		FECBRM
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)c1	ZINC000408816383	558690072	/nfs/dbraw/zinc/69/00/72/558690072.db2.gz	LIYYJMUECAKMHR-NVNXTCNLSA-N	-1	0	353.378	2.369	40	10		FECBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1	ZINC000016215419	539629246	/nfs/dbraw/zinc/62/92/46/539629246.db2.gz	QQHCHEMEOBPCQB-YBEGLDIGSA-N	-1	0	366.373	2.366	40	10		FECBRM
COC(=O)[C@H](C)Oc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000035339589	539980829	/nfs/dbraw/zinc/98/08/29/539980829.db2.gz	UVAOWRFLKDSWLF-IGWPVBGESA-N	-1	0	366.373	2.088	40	10		FECBRM
O=C([O-])[C@H]1CC(c2ccc(Cl)cc2)=NN1/C=C1\SC(=S)NC1=O	ZINC000256028234	549710103	/nfs/dbraw/zinc/71/01/03/549710103.db2.gz	ZMVPMSNKPZGYHA-CHPNCVJKSA-N	-1	0	367.839	2.192	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000409389497	570756778	/nfs/dbraw/zinc/75/67/78/570756778.db2.gz	BNXUGUMHQQIXQS-YLTNESKFSA-N	-1	0	364.317	2.212	40	10		FECBRM
CCOc1cc(N(CC)CC)ccc1C=C1C(=O)N(c2nnn[n-]2)N=C1C	ZINC000034087006	539976175	/nfs/dbraw/zinc/97/61/75/539976175.db2.gz	POUPBRUMWZTQIQ-XNTDXEJSSA-N	-1	0	369.429	2.251	40	10		FECBRM
CCN1c2ccccc2/C(=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)C1=O	ZINC000001281985	203804706	/nfs/dbraw/zinc/80/47/06/203804706.db2.gz	YOUAUWODSIYXAY-RWKJSZNZSA-N	-1	0	362.432	2.098	40	10		FECBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc(OC)c1O	ZINC000005544243	204214587	/nfs/dbraw/zinc/21/45/87/204214587.db2.gz	SZVXCQFODRBLBH-ZSOIEALJSA-N	-1	0	354.362	2.179	40	10		FECBRM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1cccc(O)c1	ZINC000408526163	558685705	/nfs/dbraw/zinc/68/57/05/558685705.db2.gz	ABDQLAPOPCTEEL-FOWTUZBSSA-N	-1	0	351.362	2.009	40	10		FECBRM
CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1C	ZINC000408757626	558689530	/nfs/dbraw/zinc/68/95/30/558689530.db2.gz	OBNUFSKZSZPZLE-XNTDXEJSSA-N	-1	0	367.409	2.407	40	10		FECBRM
CCOc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O)OCO2	ZINC000409096908	558690361	/nfs/dbraw/zinc/69/03/61/558690361.db2.gz	HALALQRETLBNBX-QCDXTXTGSA-N	-1	0	367.404	2.100	40	10		FECBRM
CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000059109624	540863494	/nfs/dbraw/zinc/86/34/94/540863494.db2.gz	AJPBXLIUZDYFBU-UKTHLTGXSA-N	-1	0	355.306	2.337	40	10		FECBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000022910159	204789806	/nfs/dbraw/zinc/78/98/06/204789806.db2.gz	TZERFUCXCBLOGZ-AMGRQBIBSA-N	-1	0	357.395	2.209	40	10	in-vitro	FECBRM
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)NC1=S	ZINC000409391701	570755842	/nfs/dbraw/zinc/75/58/42/570755842.db2.gz	KVEDVHHIGLLSTO-UKTHLTGXSA-N	-1	0	370.386	2.291	40	10		FECBRM
O=C([O-])CN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)SC1=S	ZINC000003043981	206158006	/nfs/dbraw/zinc/15/80/06/206158006.db2.gz	GYRKFVYJMREVDM-WTDSWWLTSA-N	-1	0	357.796	2.355	40	10		FECBRM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(C3CCCC3)C1=O)OCO2	ZINC000004992988	206187346	/nfs/dbraw/zinc/18/73/46/206187346.db2.gz	ZLBUYMDOUSWRFH-NTUHNPAUSA-N	-1	0	372.377	2.218	40	10		FECBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408953973	570702460	/nfs/dbraw/zinc/70/24/60/570702460.db2.gz	QSGOQCWSCPNUPU-RIYZIHGNSA-N	-1	0	350.330	2.390	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1F	ZINC000408955930	570702905	/nfs/dbraw/zinc/70/29/05/570702905.db2.gz	VHACSLXYZUAXMY-KPKJPENVSA-N	-1	0	354.293	2.221	40	10		FECBRM
COc1ccc(NC(=O)CC(C)=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000001609047	204013823	/nfs/dbraw/zinc/01/38/23/204013823.db2.gz	DHPBLXNMPOPRQI-AQTBWJFISA-N	-1	0	365.389	2.418	40	10		FECBRM
C=C(c1ccc(F)cc1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000006561896	204253340	/nfs/dbraw/zinc/25/33/40/204253340.db2.gz	FRJHHBQTGXYQFF-FLIBITNWSA-N	-1	0	361.441	2.305	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2	ZINC000408854551	263501671	/nfs/dbraw/zinc/50/16/71/263501671.db2.gz	IECQAZPIEUAFBD-NTEUORMPSA-N	-1	0	368.320	2.263	40	10		FECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN(C)c3ccccc3)C2=O)c(C)c1	ZINC000408533972	558686226	/nfs/dbraw/zinc/68/62/26/558686226.db2.gz	UHNRMVUPSRPQJE-FOWTUZBSSA-N	-1	0	364.405	2.411	40	10		FECBRM
CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000409390534	570755902	/nfs/dbraw/zinc/75/59/02/570755902.db2.gz	DZWMVCIFDJOSMI-LCYFTJDESA-N	-1	0	370.386	2.291	40	10		FECBRM
COc1ccc(N2C(=O)/C(=C\c3ccccc3O)C(=O)[N-]C2=S)cc1	ZINC000005661575	539415283	/nfs/dbraw/zinc/41/52/83/539415283.db2.gz	FARHVGJLRUJNJW-UVTDQMKNSA-N	-1	0	354.387	2.232	40	10		FECBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000013425344	539586833	/nfs/dbraw/zinc/58/68/33/539586833.db2.gz	GHBAXBPSQSZGHS-MDWZMJQESA-N	-1	0	366.329	2.090	40	10		FECBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S	ZINC000004503495	206177682	/nfs/dbraw/zinc/17/76/82/206177682.db2.gz	KJRDZNXQXQNIKF-RUDMXATFSA-N	-1	0	374.237	2.441	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000002278272	132383036	/nfs/dbraw/zinc/38/30/36/132383036.db2.gz	IHSFPUXDLCDFJM-NTUHNPAUSA-N	-1	0	354.293	2.221	40	10		FECBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100136855	543024583	/nfs/dbraw/zinc/02/45/83/543024583.db2.gz	TZERFUCXCBLOGZ-RAJOGRCSSA-N	-1	0	357.395	2.209	40	10	in-vitro	FECBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000005006489	535486283	/nfs/dbraw/zinc/48/62/83/535486283.db2.gz	BVAGJMJLHXLYCC-RVDMUPIBSA-N	-1	0	352.346	2.457	40	10		FECBRM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)cc1Br	ZINC000408527607	558685823	/nfs/dbraw/zinc/68/58/23/558685823.db2.gz	DRUTYPSGPUHMOX-RMKNXTFCSA-N	-1	0	352.188	2.070	40	10		FECBRM
COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408533653	558686256	/nfs/dbraw/zinc/68/62/56/558686256.db2.gz	ZSOLUPYBJWGPGU-WTKPLQERSA-N	-1	0	359.812	2.301	40	10		FECBRM
Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408914446	558690018	/nfs/dbraw/zinc/69/00/18/558690018.db2.gz	XVTHCFPQGHNNNZ-RIYZIHGNSA-N	-1	0	355.419	2.446	40	10		FECBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC(C)C	ZINC000408805129	558689824	/nfs/dbraw/zinc/68/98/24/558689824.db2.gz	IOPDXFHLTFXCGK-UHFFFAOYSA-N	-1	0	352.774	2.275	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccccc2)c1	ZINC000408800610	558690079	/nfs/dbraw/zinc/69/00/79/558690079.db2.gz	NXEJQEYMQOEMRF-UHFFFAOYSA-N	-1	0	352.346	2.024	40	10		FECBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)s1	ZINC000408951922	570702473	/nfs/dbraw/zinc/70/24/73/570702473.db2.gz	MWLZKRNBUJEWSV-KPKJPENVSA-N	-1	0	356.359	2.452	40	10		FECBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(C)C)C2=O)ccc1Br	ZINC000006500908	539429833	/nfs/dbraw/zinc/42/98/33/539429833.db2.gz	WGSLVLOMYTUXLA-XFFZJAGNSA-N	-1	0	366.215	2.222	40	10		FECBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNN(C)c3ccccc3)C2=O)c1	ZINC000408536720	558686464	/nfs/dbraw/zinc/68/64/64/558686464.db2.gz	XOMMTROSTJNZIF-FOWTUZBSSA-N	-1	0	364.405	2.411	40	10		FECBRM
COc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)C(=O)[N-]C2=S)cc1	ZINC000408765738	558689947	/nfs/dbraw/zinc/68/99/47/558689947.db2.gz	ZSLXCLRUIQJZOX-GDNBJRDFSA-N	-1	0	354.387	2.232	40	10		FECBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1	ZINC000408881419	570695262	/nfs/dbraw/zinc/69/52/62/570695262.db2.gz	JHOIRNDVLMGFIA-LFIBNONCSA-N	-1	0	352.346	2.457	40	10		FECBRM
COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1Cl	ZINC000408998513	570710203	/nfs/dbraw/zinc/71/02/03/570710203.db2.gz	QVKFQWTZIBYXMR-UHFFFAOYSA-N	-1	0	374.736	2.136	40	10		FECBRM
Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1C(=O)[O-]	ZINC000408851882	570692022	/nfs/dbraw/zinc/69/20/22/570692022.db2.gz	BCAGTWSRBBWQDZ-UHFFFAOYSA-N	-1	0	368.345	2.387	40	10		FECBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(O)c1	ZINC000408887102	570695365	/nfs/dbraw/zinc/69/53/65/570695365.db2.gz	MBBHSTUQDLGBSY-ZROIWOOFSA-N	-1	0	354.387	2.232	40	10		FECBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1O	ZINC000015276810	539614169	/nfs/dbraw/zinc/61/41/69/539614169.db2.gz	JMJHMZKGBQBQMZ-ZROIWOOFSA-N	-1	0	352.346	2.376	40	10		FECBRM
Cc1c(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cccc1[N+](=O)[O-]	ZINC000040973387	209213454	/nfs/dbraw/zinc/21/34/54/209213454.db2.gz	DNRZWBHDJDBVBE-UHFFFAOYSA-N	-1	0	357.347	2.078	40	10		FECBRM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(F)c3)C2=O)ccc1OC(C)=O	ZINC000032099666	208025335	/nfs/dbraw/zinc/02/53/35/208025335.db2.gz	ZTUNISNPRVHHQC-NVNXTCNLSA-N	-1	0	370.336	2.221	40	10		FECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1O	ZINC000408915782	558689731	/nfs/dbraw/zinc/68/97/31/558689731.db2.gz	YLPJHHGAGYZVSP-NTUHNPAUSA-N	-1	0	356.309	2.206	40	10		FECBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)NC(=S)N(C)C2=O)o1	ZINC000408914469	558690000	/nfs/dbraw/zinc/69/00/00/558690000.db2.gz	XYZGXOJNUSOSIF-MDWZMJQESA-N	-1	0	370.386	2.210	40	10		FECBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(O)c1	ZINC000408898534	570696538	/nfs/dbraw/zinc/69/65/38/570696538.db2.gz	MDTAVGWBGZSEDH-WQLSENKSSA-N	-1	0	356.309	2.206	40	10		FECBRM
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCC(=O)[O-])SC1=S	ZINC000001581271	539342851	/nfs/dbraw/zinc/34/28/51/539342851.db2.gz	ZVQAHFIRHGDKGK-WDZFZDKYSA-N	-1	0	368.392	2.279	40	10		FECBRM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)=O	ZINC000107950620	543281362	/nfs/dbraw/zinc/28/13/62/543281362.db2.gz	LEOSBSKGNYGGPS-RVDMUPIBSA-N	-1	0	352.346	2.082	40	10		FECBRM
CC(C)(C)NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000408550601	558686778	/nfs/dbraw/zinc/68/67/78/558686778.db2.gz	IIYACEFGLGZKLZ-CLFYSBASSA-N	-1	0	355.822	2.499	40	10		FECBRM
CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)[O-])SC1=S	ZINC000409338353	570751612	/nfs/dbraw/zinc/75/16/12/570751612.db2.gz	IHQNCRNFTLDEHO-XFFZJAGNSA-N	-1	0	353.421	2.380	40	10		FECBRM
O=C1/C(=C/c2ccco2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000001504404	539342226	/nfs/dbraw/zinc/34/22/26/539342226.db2.gz	IOELEJFIDPJYTP-XFXZXTDPSA-N	-1	0	366.445	2.374	40	10		FECBRM
COC(=O)[C@@H](C)Oc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033684295	539975128	/nfs/dbraw/zinc/97/51/28/539975128.db2.gz	ZOMAUIZRUQOOMS-OPCAMPFDSA-N	-1	0	366.373	2.088	40	10		FECBRM
CN1C(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N(C)C1=S	ZINC000059139242	540863719	/nfs/dbraw/zinc/86/37/19/540863719.db2.gz	ICUHNPMCHMWLOP-UHFFFAOYSA-N	-1	0	370.386	2.244	40	10		FECBRM
CC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000408547077	558686630	/nfs/dbraw/zinc/68/66/30/558686630.db2.gz	RNTYGXFRBZCBFX-DHDCSXOGSA-N	-1	0	353.334	2.057	40	10		FECBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408756985	558689297	/nfs/dbraw/zinc/68/92/97/558689297.db2.gz	KZSHECJIONSCAT-RIYZIHGNSA-N	-1	0	353.382	2.222	40	10		FECBRM
Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(C)C1=O	ZINC000408757682	558689378	/nfs/dbraw/zinc/68/93/78/558689378.db2.gz	OTVJTFRPHBYFCY-CXUHLZMHSA-N	-1	0	352.394	2.198	40	10		FECBRM
CCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000408803942	558689900	/nfs/dbraw/zinc/68/99/00/558689900.db2.gz	VCEFOJDEGIIWSZ-UHFFFAOYSA-N	-1	0	352.774	2.277	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(OC)c1OC	ZINC000004999333	539398355	/nfs/dbraw/zinc/39/83/55/539398355.db2.gz	LEOLGDYFNZRPQO-JLHYYAGUSA-N	-1	0	374.393	2.117	40	10		FECBRM
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCC2	ZINC000005094393	207080540	/nfs/dbraw/zinc/08/05/40/207080540.db2.gz	OREQBSAEMUMLFL-DTVLGXAZSA-N	-1	0	361.419	2.485	40	10		FECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1	ZINC000408529241	558685793	/nfs/dbraw/zinc/68/57/93/558685793.db2.gz	IVEUUJXWCNBWBC-GDNBJRDFSA-N	-1	0	367.361	2.288	40	10		FECBRM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccccc1O	ZINC000408534364	558686418	/nfs/dbraw/zinc/68/64/18/558686418.db2.gz	QQUWXHAMKXYAHR-WYMLVPIESA-N	-1	0	351.362	2.009	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccccc2F)c1	ZINC000408894500	570695734	/nfs/dbraw/zinc/69/57/34/570695734.db2.gz	IGJBHKQSBIQJMH-UHFFFAOYSA-N	-1	0	370.336	2.163	40	10		FECBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccccc3)C1=O)OCO2	ZINC000409111275	570725673	/nfs/dbraw/zinc/72/56/73/570725673.db2.gz	BEQGWWQWKNOGLQ-QPEQYQDCSA-N	-1	0	366.329	2.090	40	10		FECBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409390367	570756058	/nfs/dbraw/zinc/75/60/58/570756058.db2.gz	FDCSDCAAXPPLFI-GXDHUFHOSA-N	-1	0	367.361	2.155	40	10		FECBRM
Nc1cc(N)c(S(=O)(=O)[O-])cc1NN=C1C=C([N+](=O)[O-])C=CC1=O	ZINC000263605287	672936315	/nfs/dbraw/zinc/93/63/15/672936315.db2.gz	PNSZUHGNMLTLEA-UHFFFAOYSA-N	-1	0	353.316	2.127	40	10		FECBRM
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)[N-]C2=O)c1C	ZINC000006371361	539427200	/nfs/dbraw/zinc/42/72/00/539427200.db2.gz	GLFGUNRWWFKULM-NTUHNPAUSA-N	-1	0	356.338	2.191	40	10		FECBRM
CCN1c2ccccc2/C(=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)C1=O	ZINC000001281983	210076021	/nfs/dbraw/zinc/07/60/21/210076021.db2.gz	YOUAUWODSIYXAY-WYNUBKAASA-N	-1	0	362.432	2.098	40	10		FECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3cccs3)C2=O)cc1	ZINC000101653075	132234033	/nfs/dbraw/zinc/23/40/33/132234033.db2.gz	NQUSMMFHLOCTJP-RVDMUPIBSA-N	-1	0	371.418	2.403	40	10		FECBRM
C[C@H]1C[C@]2(C[C@@](C)(C3=NC([N-]c4ccccc4)=S=C3)OC2=O)C(=O)O1	ZINC000102631641	222302192	/nfs/dbraw/zinc/30/21/92/222302192.db2.gz	REKKQBUWJUBXAW-NBHSMZAVSA-N	-1	0	358.419	2.203	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000208471315	548666284	/nfs/dbraw/zinc/66/62/84/548666284.db2.gz	MUPJEZMTXSUUBN-RIYZIHGNSA-N	-1	0	366.329	2.090	40	10		FECBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000408913118	558689968	/nfs/dbraw/zinc/68/99/68/558689968.db2.gz	KUMDGROKKCDUKU-RIYZIHGNSA-N	-1	0	355.281	2.400	40	10		FECBRM
COc1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409108202	570726971	/nfs/dbraw/zinc/72/69/71/570726971.db2.gz	VPBOAPKZRQDMJX-KPKJPENVSA-N	-1	0	358.375	2.128	40	10		FECBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1OC	ZINC000002333270	539346807	/nfs/dbraw/zinc/34/68/07/539346807.db2.gz	IBDHCVUFAXGTLT-XYOKQWHBSA-N	-1	0	353.421	2.380	40	10		FECBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000005661381	539415080	/nfs/dbraw/zinc/41/50/80/539415080.db2.gz	MUPJEZMTXSUUBN-ZSOIEALJSA-N	-1	0	366.329	2.090	40	10		FECBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2c(C)nn(C)c2C)C1=O	ZINC000408528372	558685919	/nfs/dbraw/zinc/68/59/19/558685919.db2.gz	FVOMMXGZMXBLFG-GXDHUFHOSA-N	-1	0	367.409	2.178	40	10		FECBRM
CN1C(=O)[N-]C(=O)C(=CNc2ccc(Br)cc2Cl)C1=O	ZINC000408536442	558686456	/nfs/dbraw/zinc/68/64/56/558686456.db2.gz	WNCZFWIBDQIJSU-FNORWQNLSA-N	-1	0	358.579	2.107	40	10		FECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)c3ccccc3)C2=O)cc1C	ZINC000408538760	558686732	/nfs/dbraw/zinc/68/67/32/558686732.db2.gz	QIZOITMRZOIQAU-LFIBNONCSA-N	-1	0	363.373	2.200	40	10		FECBRM
O=C([O-])[C@H](CO)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000054164410	540572474	/nfs/dbraw/zinc/57/24/74/540572474.db2.gz	XZVLGZRDWYTLGI-MFFLEYSLSA-N	-1	0	369.851	2.456	40	10		FECBRM
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\NC(=O)[N-]C2=O)c1C	ZINC000408808383	558689809	/nfs/dbraw/zinc/68/98/09/558689809.db2.gz	GARXIPGBRXSYLE-QPEQYQDCSA-N	-1	0	356.338	2.191	40	10		FECBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)o2)C1=O	ZINC000409238548	570743143	/nfs/dbraw/zinc/74/31/43/570743143.db2.gz	KZVKWJWFNYFZLQ-ACCUITESSA-N	-1	0	369.377	2.411	40	10		FECBRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O	ZINC000408591872	263476730	/nfs/dbraw/zinc/47/67/30/263476730.db2.gz	KWNXEKUVEPPIFE-LFIBNONCSA-N	-1	0	365.389	2.417	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408803459	558689703	/nfs/dbraw/zinc/68/97/03/558689703.db2.gz	PDWISOGDYQRZBO-OQLLNIDSSA-N	-1	0	367.317	2.270	40	10		FECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)ccc1OC	ZINC000409390762	570755861	/nfs/dbraw/zinc/75/58/61/570755861.db2.gz	GVTWYJHMPVSKMU-GXDHUFHOSA-N	-1	0	367.361	2.155	40	10		FECBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1	ZINC000409389395	570756742	/nfs/dbraw/zinc/75/67/42/570756742.db2.gz	AWTVPZIIBUXFRB-SDNWHVSQSA-N	-1	0	354.366	2.187	40	10		FECBRM
COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)[O-])cc1	ZINC000017261106	211183499	/nfs/dbraw/zinc/18/34/99/211183499.db2.gz	LPSDXVIOWJBFPN-XEXOPBTESA-N	-1	0	350.375	2.104	40	10		FECBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc([N+](=O)[O-])c2)C1=O	ZINC000408530522	558685913	/nfs/dbraw/zinc/68/59/13/558685913.db2.gz	JBLMNGSHUFWPEI-GXDHUFHOSA-N	-1	0	366.333	2.482	40	10		FECBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408958092	570703267	/nfs/dbraw/zinc/70/32/67/570703267.db2.gz	VBQDPFKNWRISMN-GXDHUFHOSA-N	-1	0	367.317	2.270	40	10		FECBRM
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCC2	ZINC000005094395	539402835	/nfs/dbraw/zinc/40/28/35/539402835.db2.gz	OREQBSAEMUMLFL-PSJXJDHFSA-N	-1	0	361.419	2.485	40	10		FECBRM
O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005371868	539409087	/nfs/dbraw/zinc/40/90/87/539409087.db2.gz	HBBAZPWIFGGFHZ-YFHOEESVSA-N	-1	0	363.869	2.429	40	10		FECBRM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]N(c3ccccc3)C1=O)OCO2	ZINC000033706716	539975281	/nfs/dbraw/zinc/97/52/81/539975281.db2.gz	UYMHVXYDTPRKCV-RIYZIHGNSA-N	-1	0	352.346	2.275	40	10		FECBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C)cc1	ZINC000059305936	540864299	/nfs/dbraw/zinc/86/42/99/540864299.db2.gz	UMBIJBWBIVLIFX-UHFFFAOYSA-N	-1	0	366.373	2.332	40	10		FECBRM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)C(=O)N1	ZINC000113834074	543496931	/nfs/dbraw/zinc/49/69/31/543496931.db2.gz	SPZCICGKXUBCTI-UHFFFAOYSA-N	-1	0	361.697	2.258	40	10		FECBRM
CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNCC(=O)[O-]	ZINC000408537252	558686662	/nfs/dbraw/zinc/68/66/62/558686662.db2.gz	ZTEAHWPSPJMXAJ-WDZFZDKYSA-N	-1	0	352.188	2.038	40	10		FECBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1	ZINC000408827682	558689737	/nfs/dbraw/zinc/68/97/37/558689737.db2.gz	FXNCNAYVFIHPCJ-UHFFFAOYSA-N	-1	0	368.345	2.387	40	10		FECBRM
CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000005736563	539415992	/nfs/dbraw/zinc/41/59/92/539415992.db2.gz	UKTJYYKGTIVUEB-UHFFFAOYSA-N	-1	0	366.215	2.045	40	10		FECBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1O	ZINC000032192927	539930798	/nfs/dbraw/zinc/93/07/98/539930798.db2.gz	PCJUOGUJBLAUJQ-DHZHZOJOSA-N	-1	0	372.377	2.371	40	10		FECBRM
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(CC(=O)[O-])C1=O)S2	ZINC000015218066	211125268	/nfs/dbraw/zinc/12/52/68/211125268.db2.gz	AAFHYKMODCVAMV-QBFSEMIESA-N	-1	0	368.461	2.351	40	10		FECBRM
O=C1c2cccc(S(=O)(=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21	ZINC000004783232	210563497	/nfs/dbraw/zinc/56/34/97/210563497.db2.gz	RVMPQLJDPQYASO-UHFFFAOYSA-N	-1	0	367.722	2.270	40	10		FECBRM
Cc1ccc(C=C2C(=O)NN=C2c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000003850429	210496178	/nfs/dbraw/zinc/49/61/78/210496178.db2.gz	OAUGMSWUUIPXEV-PTNGSMBKSA-N	-1	0	359.385	2.470	40	10		FECBRM
C=C(c1ccc(OC)cc1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000035041576	220771265	/nfs/dbraw/zinc/77/12/65/220771265.db2.gz	LSOVASKVZGFXFN-XFXZXTDPSA-N	-1	0	373.477	2.174	40	10		FECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000001225709	132381320	/nfs/dbraw/zinc/38/13/20/132381320.db2.gz	CXXOMHAKBZXEKQ-ATVHPVEESA-N	-1	0	365.389	2.428	40	10		FECBRM
COc1cc(OC)c(OC)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000409398512	263555723	/nfs/dbraw/zinc/55/57/23/263555723.db2.gz	BSEDAKSQIFSHJA-ZROIWOOFSA-N	-1	0	354.362	2.174	40	10		FECBRM
CCOc1cccc(N2C(=O)/C(=C/c3cccn3C)C(=O)[N-]C2=S)c1	ZINC000409095030	570721109	/nfs/dbraw/zinc/72/11/09/570721109.db2.gz	GKJZIGSOTIIWJH-RVDMUPIBSA-N	-1	0	355.419	2.255	40	10		FECBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccncc2)C1=O	ZINC000409391125	570755745	/nfs/dbraw/zinc/75/57/45/570755745.db2.gz	HKLXZCMTQMIIHH-UKTHLTGXSA-N	-1	0	357.753	2.410	40	10		FECBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OC	ZINC000033398382	539974492	/nfs/dbraw/zinc/97/44/92/539974492.db2.gz	LEKPHCBQFOTWEJ-NTEUORMPSA-N	-1	0	370.361	2.349	40	10		FECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408742648	558689391	/nfs/dbraw/zinc/68/93/91/558689391.db2.gz	XLADIBUCLMVEQC-XNTDXEJSSA-N	-1	0	367.317	2.270	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1	ZINC000409394136	570756287	/nfs/dbraw/zinc/75/62/87/570756287.db2.gz	WFEVMQZHTADXKQ-SFQUDFHCSA-N	-1	0	374.356	2.244	40	10		FECBRM
COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc(OC)c1	ZINC000004745231	539392394	/nfs/dbraw/zinc/39/23/94/539392394.db2.gz	QGBJJKBWSCJJKL-VNUQYUTRSA-N	-1	0	353.421	2.378	40	10		FECBRM
CN(C)c1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(C(F)(F)F)nn32)cc1	ZINC000102335898	222294942	/nfs/dbraw/zinc/29/49/42/222294942.db2.gz	PQEXVPGUBVFXLC-LLVKDONJSA-N	-1	0	353.304	2.346	40	10		FECBRM
Cc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(C)cc1	ZINC000408587294	558687324	/nfs/dbraw/zinc/68/73/24/558687324.db2.gz	BJKXDQQOOCVKQF-SXGWCWSVSA-N	-1	0	353.378	2.380	40	10		FECBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408758165	558689396	/nfs/dbraw/zinc/68/93/96/558689396.db2.gz	WHRWFEKZXIJRSS-KPKJPENVSA-N	-1	0	359.773	2.259	40	10		FECBRM
Cc1nn(-c2cccc3ccccc32)c(C)c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000408994658	558690016	/nfs/dbraw/zinc/69/00/16/558690016.db2.gz	GZZUUWSNMOOSGP-UHFFFAOYSA-N	-1	0	360.373	2.392	40	10		FECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1O	ZINC000408850111	570692515	/nfs/dbraw/zinc/69/25/15/570692515.db2.gz	GEESYTIURFICPH-MDWZMJQESA-N	-1	0	356.309	2.206	40	10		FECBRM
CN(C)c1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1	ZINC000409392662	570756041	/nfs/dbraw/zinc/75/60/41/570756041.db2.gz	NDOCEYCPYHWTBR-GOZVUGRMSA-N	-1	0	362.389	2.370	40	10		FECBRM
CCN1C(=O)[N-]C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc32)C1=O	ZINC000059109650	540863478	/nfs/dbraw/zinc/86/34/78/540863478.db2.gz	LAPYADDVMALCEP-XNTDXEJSSA-N	-1	0	354.362	2.339	40	10		FECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1	ZINC000059484147	136132211	/nfs/dbraw/zinc/13/22/11/136132211.db2.gz	WFNHSHQBILMQTL-PTNGSMBKSA-N	-1	0	352.346	2.457	40	10		FECBRM
Cc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408857563	570692976	/nfs/dbraw/zinc/69/29/76/570692976.db2.gz	OIUSRRVJHISGOJ-RIYZIHGNSA-N	-1	0	350.330	2.390	40	10		FECBRM
COCCn1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1C	ZINC000409193979	570738436	/nfs/dbraw/zinc/73/84/36/570738436.db2.gz	JNFMPVXDFFTCJJ-WJDWOHSUSA-N	-1	0	359.426	2.156	40	10		FECBRM
COc1ccc(N2CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])CC2)cc1	ZINC000006715606	539434650	/nfs/dbraw/zinc/43/46/50/539434650.db2.gz	ZLMRXHAVINLZGK-NONVJHHQSA-N	-1	0	358.438	2.091	40	10		FECBRM
Nc1cc(N)c(S(=O)(=O)[O-])cc1NN=C1C=C([N+](=O)[O-])C=CC1=O	ZINC000004705986	219598554	/nfs/dbraw/zinc/59/85/54/219598554.db2.gz	PNSZUHGNMLTLEA-FOCLMDBBSA-N	-1	0	353.316	2.127	40	10		FECBRM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(Cl)cc1O	ZINC000036613122	220821853	/nfs/dbraw/zinc/82/18/53/220821853.db2.gz	SKISLHIYTWCCCJ-XCVCLJGOSA-N	-1	0	359.812	2.340	40	10		FECBRM
COc1ccc(N2CCN(CC(=O)Nc3cccc(C(=O)[O-])c3)CC2)cc1	ZINC000004926648	536694845	/nfs/dbraw/zinc/69/48/45/536694845.db2.gz	GCZGXXHZQZADDA-UHFFFAOYSA-N	-1	0	369.421	2.154	40	10		FECBRM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000012412892	539558412	/nfs/dbraw/zinc/55/84/12/539558412.db2.gz	DPKLSVHUEPYXBH-JYRVWZFOSA-N	-1	0	365.309	2.174	40	10		FECBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)ccc1O	ZINC000409023219	263517681	/nfs/dbraw/zinc/51/76/81/263517681.db2.gz	VELJPYCOXAMBBQ-NTUHNPAUSA-N	-1	0	372.377	2.371	40	10		FECBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(C)C2=O)o1	ZINC000408914764	558689669	/nfs/dbraw/zinc/68/96/69/558689669.db2.gz	YVSLITKEXZWHJV-MDWZMJQESA-N	-1	0	370.386	2.210	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2cccc(F)c2)c1	ZINC000408883458	570694604	/nfs/dbraw/zinc/69/46/04/570694604.db2.gz	VJCUBQUQNASSKP-UHFFFAOYSA-N	-1	0	370.336	2.163	40	10		FECBRM
Nc1cc(N)c(S(=O)(=O)[O-])cc1NN=C1C=CC([N+](=O)[O-])=CC1=O	ZINC000068601099	221316120	/nfs/dbraw/zinc/31/61/20/221316120.db2.gz	YQKUFJMEYRGFTP-FOCLMDBBSA-N	-1	0	353.316	2.127	40	10		FECBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc2c(c1)OCCO2	ZINC000001106530	132380103	/nfs/dbraw/zinc/38/01/03/132380103.db2.gz	KQTGYDMUIYBKPO-RIYZIHGNSA-N	-1	0	368.320	2.263	40	10		FECBRM
CCOC(=O)COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000108928873	543308577	/nfs/dbraw/zinc/30/85/77/543308577.db2.gz	XSFHNBUAERMMEH-ATVHPVEESA-N	-1	0	366.373	2.090	40	10		FECBRM
COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)[O-])C3=O)c2C)c1	ZINC000408591177	263476786	/nfs/dbraw/zinc/47/67/86/263476786.db2.gz	IVNSRKBIOPSMQJ-PXNMLYILSA-N	-1	0	369.377	2.080	40	10		FECBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1Cc1ccccc1F	ZINC000408877024	570694614	/nfs/dbraw/zinc/69/46/14/570694614.db2.gz	SFKSRBYSXQCSGE-UHFFFAOYSA-N	-1	0	354.337	2.175	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	ZINC000409393070	570756510	/nfs/dbraw/zinc/75/65/10/570756510.db2.gz	OWGZRPQMNFLHLX-NTCAYCPXSA-N	-1	0	366.377	2.331	40	10		FECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000409389540	570756911	/nfs/dbraw/zinc/75/69/11/570756911.db2.gz	BXNMHDSTTLYVDZ-JXMROGBWSA-N	-1	0	362.139	2.104	40	10		FECBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000017920877	539644810	/nfs/dbraw/zinc/64/48/10/539644810.db2.gz	TZERFUCXCBLOGZ-IJYGLTAASA-N	-1	0	357.395	2.209	40	10	in-vitro	FECBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(F)cc1	ZINC000408596390	558687445	/nfs/dbraw/zinc/68/74/45/558687445.db2.gz	YVBBZWHAZZQLBZ-OVCLIPMQSA-N	-1	0	357.341	2.211	40	10		FECBRM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1O	ZINC000408913462	558689783	/nfs/dbraw/zinc/68/97/83/558689783.db2.gz	UWWLRSYVSFDFSF-JYRVWZFOSA-N	-1	0	356.309	2.206	40	10		FECBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2cccc(C)c2)c1	ZINC000408814596	558689859	/nfs/dbraw/zinc/68/98/59/558689859.db2.gz	RRKLTYVCRZAECI-UHFFFAOYSA-N	-1	0	366.373	2.332	40	10		FECBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2)C1=O	ZINC000408931940	570699842	/nfs/dbraw/zinc/69/98/42/570699842.db2.gz	ABMODFCRAZONMK-RVDMUPIBSA-N	-1	0	355.419	2.348	40	10		FECBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)o2)C(=O)[N-]C1=S	ZINC000409233046	570744600	/nfs/dbraw/zinc/74/46/00/570744600.db2.gz	JQHWFNSFULNKPS-JLHYYAGUSA-N	-1	0	355.419	2.485	40	10		FECBRM