smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@H](Nc1cccc(I)c1C)C(=O)[O-]	ZINC000301005492	398493623	/nfs/dbraw/zinc/49/36/23/398493623.db2.gz	YXVDWTABEHZKRR-VIFPVBQESA-N	-1	0	317.126	2.651	10	30		DFEERM
N#Cc1ccc(I)c(C(=O)[O-])c1Cl	ZINC000307329799	398510895	/nfs/dbraw/zinc/51/08/95/398510895.db2.gz	MNZDQMBAVJEECP-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl	ZINC000036962604	398554332	/nfs/dbraw/zinc/55/43/32/398554332.db2.gz	LRTHLLIORLSNMZ-UHFFFAOYSA-N	-1	0	317.757	2.884	10	30		DFEERM
C=CCn1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-]	ZINC000073660230	191338492	/nfs/dbraw/zinc/33/84/92/191338492.db2.gz	SSNYNUDFODBIDT-UHFFFAOYSA-N	-1	0	324.789	2.803	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@@H]2CCCC[C@H]2C)cc1	ZINC000005929617	181297118	/nfs/dbraw/zinc/29/71/18/181297118.db2.gz	XGYFBEKHPZUCQK-TZMCWYRMSA-N	-1	0	310.419	2.766	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@@H]2CCC[C@H](C)C2)cc1	ZINC000005929621	181297378	/nfs/dbraw/zinc/29/73/78/181297378.db2.gz	NSLVHBFTWIPGOD-QWHCGFSZSA-N	-1	0	310.419	2.766	10	30		DFEERM
C[C@H]1CCc2c(C#N)c(NC(=O)CCCC(=O)[O-])sc2C1	ZINC000006253624	181322621	/nfs/dbraw/zinc/32/26/21/181322621.db2.gz	DMERHWZDFCEHJK-VIFPVBQESA-N	-1	0	306.387	2.938	10	30		DFEERM
CCCCCCCSC(=S)[N-][C@@H]1C=CS(=O)(=O)C1	ZINC000059568498	399110684	/nfs/dbraw/zinc/11/06/84/399110684.db2.gz	GLOXECCUABJWDC-LLVKDONJSA-N	-1	0	307.506	2.875	10	30		DFEERM
O=C([O-])CCCCCO/N=C(\c1ccccc1)c1cnccn1	ZINC000013759480	425762402	/nfs/dbraw/zinc/76/24/02/425762402.db2.gz	HKCTZFLYWBFZLN-LVZFUZTISA-N	-1	0	313.357	2.891	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1F	ZINC000575340035	430078741	/nfs/dbraw/zinc/07/87/41/430078741.db2.gz	LWCGGJIFRUJRNJ-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1ccc(C(=O)[O-])c(OC(F)(F)F)c1Br	ZINC000575383519	430079575	/nfs/dbraw/zinc/07/95/75/430079575.db2.gz	NRSDVUCSDOWUDY-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
CCOC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1[O-]	ZINC000575392184	430081209	/nfs/dbraw/zinc/08/12/09/430081209.db2.gz	OJHSMKSUTFFYDO-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(OC(F)F)c(OC(F)(F)F)c1	ZINC000575388456	430081399	/nfs/dbraw/zinc/08/13/99/430081399.db2.gz	VKOWMUZTZMGZPD-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1c(C#N)ccc(SC(F)(F)F)c1[O-]	ZINC000575392392	430082017	/nfs/dbraw/zinc/08/20/17/430082017.db2.gz	XXOMRDZXISYUIC-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1[S-]	ZINC000575393314	430082693	/nfs/dbraw/zinc/08/26/93/430082693.db2.gz	RFATUQDPHJZXAJ-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#CCc1cc(C#N)c([S-])cc1I	ZINC000575649103	430087041	/nfs/dbraw/zinc/08/70/41/430087041.db2.gz	PDTDHEXEMKMLHZ-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#CCc1c([S-])cc(I)cc1C#N	ZINC000575649436	430087395	/nfs/dbraw/zinc/08/73/95/430087395.db2.gz	RPRLUKMITLBFOW-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
C=CCn1c(SCC(=O)[O-])nnc1-c1ccc(C)c(C)c1	ZINC000026469626	519228275	/nfs/dbraw/zinc/22/82/75/519228275.db2.gz	GTXOFAXHMPIUIV-UHFFFAOYSA-N	-1	0	303.387	2.925	10	30		DFEERM
N#Cc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1SC(F)(F)F	ZINC000514275699	398356833	/nfs/dbraw/zinc/35/68/33/398356833.db2.gz	LBRSPKVRYGNLLN-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(Br)c(OC(F)(F)F)c1	ZINC000514274864	398356843	/nfs/dbraw/zinc/35/68/43/398356843.db2.gz	VVMPKTQRTXOTJJ-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(SC(F)(F)F)c(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000514275703	398357040	/nfs/dbraw/zinc/35/70/40/398357040.db2.gz	LHHFTFJTVDVPSV-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
O=C([O-])[C@H](O)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F	ZINC000514283052	398357697	/nfs/dbraw/zinc/35/76/97/398357697.db2.gz	USKYUMICDGNLRA-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
CCc1ccc(C=NNc2nnc(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000005526004	181253358	/nfs/dbraw/zinc/25/33/58/181253358.db2.gz	HVTXNPNKKCKLNJ-XDHOZWIPSA-N	-1	0	319.368	2.840	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1	ZINC000005929613	181296963	/nfs/dbraw/zinc/29/69/63/181296963.db2.gz	XGYFBEKHPZUCQK-GXTWGEPZSA-N	-1	0	310.419	2.766	10	30		DFEERM
CCC[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000026021884	425809400	/nfs/dbraw/zinc/80/94/00/425809400.db2.gz	UAHIFNHZNXTJOL-YUTCNCBUSA-N	-1	0	309.431	2.706	10	30		DFEERM
N#Cc1cc([O-])c(Br)c(I)c1	ZINC000575690444	430092808	/nfs/dbraw/zinc/09/28/08/430092808.db2.gz	POUVPVMOIXJTQT-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cc(Br)cc([O-])c1I	ZINC000575690294	430093200	/nfs/dbraw/zinc/09/32/00/430093200.db2.gz	HQEQTYXPQKGGLY-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1F	ZINC000575340036	430079027	/nfs/dbraw/zinc/07/90/27/430079027.db2.gz	LWCGGJIFRUJRNJ-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1cc(C(=O)[O-])cc(Br)c1OC(F)(F)F	ZINC000575383460	430079915	/nfs/dbraw/zinc/07/99/15/430079915.db2.gz	JBGMMYYDGZGLOM-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)c(Br)cc1CC(=O)[O-]	ZINC000575383978	430080840	/nfs/dbraw/zinc/08/08/40/430080840.db2.gz	XSAPLXSEGVRZPW-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#CC1([C@](O)(C#Cc2cccc(C(=O)[O-])c2)c2ccccc2)CC1	ZINC000584597904	337374498	/nfs/dbraw/zinc/37/44/98/337374498.db2.gz	XEHGLVPVWGFHIU-FQEVSTJZSA-N	-1	0	317.344	2.928	10	30		DFEERM
CCC/C(C#C[C@@](O)(c1ccccc1)C1(C#N)CC1)=C/C(=O)[O-]	ZINC000584626423	337376080	/nfs/dbraw/zinc/37/60/80/337376080.db2.gz	MDBYVVANTCFSQY-RXHHAWBHSA-N	-1	0	309.365	2.992	10	30		DFEERM
CCCC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000096753533	185386101	/nfs/dbraw/zinc/38/61/01/185386101.db2.gz	BSDPDIYRINSULO-CQSZACIVSA-N	-1	0	320.414	2.551	10	30		DFEERM
N#Cc1c(Br)c(CC(=O)[O-])ccc1OC(F)(F)F	ZINC000514276421	398356770	/nfs/dbraw/zinc/35/67/70/398356770.db2.gz	YKCMTWICMBGHTM-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(F)cc(C(F)(F)F)c1C(F)(F)F	ZINC000514283277	398357631	/nfs/dbraw/zinc/35/76/31/398357631.db2.gz	IVLGVLIELIJARW-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1[C@H](O)C(=O)[O-]	ZINC000514282549	398357711	/nfs/dbraw/zinc/35/77/11/398357711.db2.gz	RFSRMTGWNLKYRX-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
CC(C)[C@H](NC(=O)[C@H](CS)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000013735623	398388673	/nfs/dbraw/zinc/38/86/73/398388673.db2.gz	JAAZJNRRIZXSHL-BNOWGMLFSA-N	-1	0	309.431	2.562	10	30		DFEERM
N#Cc1cc(Cl)cc(C(=O)[O-])c1I	ZINC000306603404	398508519	/nfs/dbraw/zinc/50/85/19/398508519.db2.gz	MNKMIRFLZORCAB-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
N#Cc1c(Cl)ccc(I)c1C(=O)[O-]	ZINC000307340051	398510737	/nfs/dbraw/zinc/51/07/37/398510737.db2.gz	SQPUONOVCNXPKD-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
O=C(/C=N/OCc1ccccc1)[N-]OCCCC(F)(F)F	ZINC000042750537	398601613	/nfs/dbraw/zinc/60/16/13/398601613.db2.gz	BSQZJTNYZKXICS-RQZCQDPDSA-N	-1	0	304.268	2.579	10	30		DFEERM
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)[O-]	ZINC000004102249	290906773	/nfs/dbraw/zinc/90/67/73/290906773.db2.gz	NJHXRWOUQCGQAV-YGNOGLJPSA-N	-1	0	314.381	2.941	10	30	biogenic,in-vitro	DFEERM
COc1ccc2[n-]cc(C(=O)Nc3ccccc3C#N)c(=O)c2c1	ZINC000039962770	183025228	/nfs/dbraw/zinc/02/52/28/183025228.db2.gz	ROFHNRDHLVFDIX-UHFFFAOYSA-N	-1	0	319.320	2.661	10	30		DFEERM
FC(F)c1n[n-]c(=S)n1N=Cc1c[nH]nc1-c1ccccc1	ZINC000254486977	427222576	/nfs/dbraw/zinc/22/25/76/427222576.db2.gz	VLSTUNSDTUQZQS-UHFFFAOYSA-N	-1	0	320.328	2.777	10	30		DFEERM
N#Cc1c([O-])cc(I)cc1Br	ZINC000575690421	430092736	/nfs/dbraw/zinc/09/27/36/430092736.db2.gz	OEEOGVTVOMJVKO-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
O=C([O-])[C@H](O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1F	ZINC000575380990	430079797	/nfs/dbraw/zinc/07/97/97/430079797.db2.gz	QBPNRGGJGOWILK-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1cc(Br)c(OC(F)(F)F)c(CC(=O)[O-])c1	ZINC000575383388	430080019	/nfs/dbraw/zinc/08/00/19/430080019.db2.gz	DRSPPLABVQEZDB-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
C=CCC[C@@H](NC(=O)CCOc1ccc(C)cc1C)C(=O)[O-]	ZINC000262943630	341533287	/nfs/dbraw/zinc/53/32/87/341533287.db2.gz	QCEMLGRHKTYHTL-CQSZACIVSA-N	-1	0	305.374	2.608	10	30		DFEERM
N#Cc1ccc(OC(F)(F)F)c(C(=O)[O-])c1Br	ZINC000514271869	398356878	/nfs/dbraw/zinc/35/68/78/398356878.db2.gz	WZAWEYUQJORSLC-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
O=C([O-])CCCCCO/N=C(/c1ccccc1)c1cncnc1	ZINC000013759479	398388611	/nfs/dbraw/zinc/38/86/11/398388611.db2.gz	MAMGSMDPBKTNTA-JZJYNLBNSA-N	-1	0	313.357	2.891	10	30		DFEERM
CC1=C2C=C3C(=O)c4ccc([O-])cc4C(=O)[C@@]3(O)C(C)=C2CC1	ZINC000005766594	181282100	/nfs/dbraw/zinc/28/21/00/181282100.db2.gz	KPVZBJKXSXYQCW-LJQANCHMSA-N	-1	0	308.333	2.869	10	30		DFEERM
COc1c(Br)cc(CC#N)c([O-])c1Br	ZINC000022004759	182303924	/nfs/dbraw/zinc/30/39/24/182303924.db2.gz	RYKWNSCSQSDNAM-UHFFFAOYSA-N	-1	0	320.968	2.992	10	30		DFEERM
O=C([O-])c1ccccc1/C=N/NC(=S)NC1CCCCC1	ZINC000003289414	304267043	/nfs/dbraw/zinc/26/70/43/304267043.db2.gz	LGTLHOQDPTVIPZ-MHWRWJLKSA-N	-1	0	305.403	2.516	10	30		DFEERM
CC[C@@H](C)N(CC(=O)[O-])C(=O)CSCc1ccc(C#N)cc1	ZINC000262828225	146391219	/nfs/dbraw/zinc/39/12/19/146391219.db2.gz	YWGCTCSLYZIRGX-GFCCVEGCSA-N	-1	0	320.414	2.503	10	30		DFEERM
N#CCc1cc([S-])c(I)c(C#N)c1	ZINC000575650272	430088156	/nfs/dbraw/zinc/08/81/56/430088156.db2.gz	WGHJIQKMYLGDKM-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#Cc1c([O-])c(I)ccc1Br	ZINC000575690237	430092514	/nfs/dbraw/zinc/09/25/14/430092514.db2.gz	DFNQJMBMRBZWGE-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c(Br)c([O-])ccc1I	ZINC000575690552	430092662	/nfs/dbraw/zinc/09/26/62/430092662.db2.gz	WNHHUACCYXZUOB-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c(Br)ccc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575383507	430080073	/nfs/dbraw/zinc/08/00/73/430080073.db2.gz	LWVIVXILOPQHOP-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c(OC(F)F)c1OC(F)(F)F	ZINC000575387103	430081802	/nfs/dbraw/zinc/08/18/02/430081802.db2.gz	ANLFJSDAVUDRHM-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#CCc1cc(C#N)cc(I)c1[S-]	ZINC000575649400	430087247	/nfs/dbraw/zinc/08/72/47/430087247.db2.gz	RFOZQTHCUFDLMJ-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
CC(C)N1c2ccccc2C(=NNc2ccc(C(=O)[O-])cc2)C1=O	ZINC000038364799	279557638	/nfs/dbraw/zinc/55/76/38/279557638.db2.gz	SKPRHIYCODILRB-CAPFRKAQSA-N	-1	0	323.352	2.956	10	30		DFEERM
N#CC1([C@](O)(C#Cc2ccc(C(=O)[O-])cc2)C2CCCC2)CC1	ZINC000584598329	337374618	/nfs/dbraw/zinc/37/46/18/337374618.db2.gz	MOUFICGQFDONEP-IBGZPJMESA-N	-1	0	309.365	2.961	10	30		DFEERM
N#Cc1cc(Br)cc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000514274054	398356837	/nfs/dbraw/zinc/35/68/37/398356837.db2.gz	JBRHZLMKKKEHFJ-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1ccc(OC(F)(F)F)c(Br)c1C(=O)[O-]	ZINC000514271605	398357030	/nfs/dbraw/zinc/35/70/30/398357030.db2.gz	SHINJZORKPMEDR-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(F)c(C(F)(F)F)cc1C(F)(F)F	ZINC000514283197	398357824	/nfs/dbraw/zinc/35/78/24/398357824.db2.gz	DUICZPFQJSDYHP-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
O=C([O-])CCCCCO/N=C(/c1ccccc1)c1ccnnc1	ZINC000013759476	398388657	/nfs/dbraw/zinc/38/86/57/398388657.db2.gz	OQFHCZONVRWBLQ-JZJYNLBNSA-N	-1	0	313.357	2.891	10	30		DFEERM
N#Cc1c(I)ccc(Cl)c1C(=O)[O-]	ZINC000307268814	398510752	/nfs/dbraw/zinc/51/07/52/398510752.db2.gz	LJRLKGUNOWXEAC-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
N#Cc1c(Br)cc(CC(=O)[O-])cc1Br	ZINC000307203015	398510952	/nfs/dbraw/zinc/51/09/52/398510952.db2.gz	FDFFWXYWVKXCCN-UHFFFAOYSA-N	-1	0	318.952	2.710	10	30		DFEERM
O=C([O-])C(Cl)=C(Cl)C=NNc1ccc([N+](=O)[O-])cc1	ZINC000004276825	304023366	/nfs/dbraw/zinc/02/33/66/304023366.db2.gz	IPZTWAULIXCHDE-AFLFDFMDSA-N	-1	0	304.089	2.766	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@H]2CCC[C@@H](C)C2)cc1	ZINC000005929643	181297288	/nfs/dbraw/zinc/29/72/88/181297288.db2.gz	NSLVHBFTWIPGOD-OLZOCXBDSA-N	-1	0	310.419	2.766	10	30		DFEERM
COc1cc([O-])c(C(=O)/C=C/[C@H]2C=CC(OC)=CC2)c(O)c1	ZINC000140603983	398890882	/nfs/dbraw/zinc/89/08/82/398890882.db2.gz	ACZWGLRXRSHWST-BWNDKRECSA-N	-1	0	302.326	2.952	10	30		DFEERM
O=C([O-])CCCCCO/N=C(/c1ccccc1)c1ccncn1	ZINC000013759478	425763086	/nfs/dbraw/zinc/76/30/86/425763086.db2.gz	SGRLAPQXGWRRMC-JZJYNLBNSA-N	-1	0	313.357	2.891	10	30		DFEERM
N#Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1[C@H](O)C(=O)[O-]	ZINC000575340926	430078563	/nfs/dbraw/zinc/07/85/63/430078563.db2.gz	GKQOGPUXPGHFOO-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(C(F)(F)F)cc(F)c1C(F)(F)F	ZINC000575339726	430078744	/nfs/dbraw/zinc/07/87/44/430078744.db2.gz	AFSMQPFJPZQIQQ-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c(C(F)(F)F)c1Br	ZINC000575383963	430080960	/nfs/dbraw/zinc/08/09/60/430080960.db2.gz	WNGHPJYRYBBOLK-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc(SC(F)(F)F)c1[N+](=O)[O-]	ZINC000575393773	430082948	/nfs/dbraw/zinc/08/29/48/430082948.db2.gz	IZHCWBJUQGJOSH-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc([N+](=O)[O-])c(SC(F)(F)F)cc1CC(=O)[O-]	ZINC000575394966	430083274	/nfs/dbraw/zinc/08/32/74/430083274.db2.gz	ZJQOQYSPCOXRGD-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#CCc1c(I)cc([S-])cc1C#N	ZINC000575649175	430087436	/nfs/dbraw/zinc/08/74/36/430087436.db2.gz	PQTCEQLOAUWUAC-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#Cc1ccc(CSCC(=O)NCCCCCC(=O)[O-])cc1	ZINC000096753523	185386104	/nfs/dbraw/zinc/38/61/04/185386104.db2.gz	NOPGFVLATOPHIC-UHFFFAOYSA-N	-1	0	320.414	2.553	10	30		DFEERM
N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1[C@@H](O)C(=O)[O-]	ZINC000514282548	398357527	/nfs/dbraw/zinc/35/75/27/398357527.db2.gz	RFSRMTGWNLKYRX-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C(F)(F)F)c2)C(=O)O1	ZINC000105639415	194117105	/nfs/dbraw/zinc/11/71/05/194117105.db2.gz	KVAASMIHSKWFIU-GEXIGZQTSA-N	-1	0	324.254	2.934	10	30		DFEERM
CC(C)[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000013735617	425760896	/nfs/dbraw/zinc/76/08/96/425760896.db2.gz	JAAZJNRRIZXSHL-YUTCNCBUSA-N	-1	0	309.431	2.562	10	30		DFEERM
N#Cc1cc([O-])cc(I)c1Br	ZINC000575690536	430093426	/nfs/dbraw/zinc/09/34/26/430093426.db2.gz	VRITYSNJOUTKPQ-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1	ZINC000575340195	430078789	/nfs/dbraw/zinc/07/87/89/430078789.db2.gz	QUMODDWAZSWHEI-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(OC(F)(F)F)ccc(CC(=O)[O-])c1OC(F)F	ZINC000575388552	430081256	/nfs/dbraw/zinc/08/12/56/430081256.db2.gz	YCXKKJKLYQNFQH-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1[S-]	ZINC000575392950	430081995	/nfs/dbraw/zinc/08/19/95/430081995.db2.gz	AKVKXFWECCWQJD-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc([N+](=O)[O-])cc(SC(F)(F)F)c1CC(=O)[O-]	ZINC000575393764	430082278	/nfs/dbraw/zinc/08/22/78/430082278.db2.gz	IKYCHIHKAGGSPF-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CCOC(=O)Cc1c(C#N)cc([S-])cc1OC(F)(F)F	ZINC000575393302	430082925	/nfs/dbraw/zinc/08/29/25/430082925.db2.gz	QTTCPLNWIKMIAR-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1c(SC(F)(F)F)ccc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575393449	430083397	/nfs/dbraw/zinc/08/33/97/430083397.db2.gz	AAVLQDSVGIYCPV-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(Br)c(C(F)(F)F)c1	ZINC000514274682	398356919	/nfs/dbraw/zinc/35/69/19/398356919.db2.gz	DTJUMFCQCZSIDT-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
O=C([O-])[C@H](O)c1ccc(C(F)(F)F)c(F)c1C(F)(F)F	ZINC000514284264	398358148	/nfs/dbraw/zinc/35/81/48/398358148.db2.gz	YPDHIGBYYLNPSP-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
CC1=C2C=C3C(=O)c4ccc([O-])cc4C(=O)[C@]3(O)C(C)=C2CC1	ZINC000005766591	181282184	/nfs/dbraw/zinc/28/21/84/181282184.db2.gz	KPVZBJKXSXYQCW-IBGZPJMESA-N	-1	0	308.333	2.869	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@@H]2CCC[C@@H](C)C2)cc1	ZINC000005929625	181297334	/nfs/dbraw/zinc/29/73/34/181297334.db2.gz	NSLVHBFTWIPGOD-CHWSQXEVSA-N	-1	0	310.419	2.766	10	30		DFEERM
COc1cccc2c1[n-]cc(C(=O)Nc1ccccc1C#N)c2=O	ZINC000039962861	183025212	/nfs/dbraw/zinc/02/52/12/183025212.db2.gz	LAJPHYKACYHKAN-UHFFFAOYSA-N	-1	0	319.320	2.661	10	30		DFEERM
C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)[O-]	ZINC000064871631	184305303	/nfs/dbraw/zinc/30/53/03/184305303.db2.gz	GZLDRTCASKMWFD-UHFFFAOYSA-N	-1	0	319.386	2.528	10	30		DFEERM
O=C([O-])CCCCCO/N=C(\c1ccccc1)c1cccnn1	ZINC000013759470	425761592	/nfs/dbraw/zinc/76/15/92/425761592.db2.gz	WSHFHADWHQFDRV-LVZFUZTISA-N	-1	0	313.357	2.891	10	30		DFEERM
N#CCc1cc(I)cc(C#N)c1[S-]	ZINC000575649558	430088598	/nfs/dbraw/zinc/08/85/98/430088598.db2.gz	SXEGFIIHNTVVIE-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1F	ZINC000575339800	430079090	/nfs/dbraw/zinc/07/90/90/430079090.db2.gz	BZIRVGQMHPUGRO-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
CCOC(=O)Cc1ccc(C#N)c([S-])c1OC(F)(F)F	ZINC000575393069	430081152	/nfs/dbraw/zinc/08/11/52/430081152.db2.gz	DHWWBBXXMLAYOW-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1SC(F)(F)F	ZINC000575394232	430082496	/nfs/dbraw/zinc/08/24/96/430082496.db2.gz	PROWDZJKXSZVCT-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CCOC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1[S-]	ZINC000575393590	430083383	/nfs/dbraw/zinc/08/33/83/430083383.db2.gz	XKHFJSHHEWEOTL-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1	ZINC000027788919	520856834	/nfs/dbraw/zinc/85/68/34/520856834.db2.gz	MTUUWCVCPIPOTB-FRKPEAEDSA-N	-1	0	316.308	2.867	10	30		DFEERM
N#Cc1c(Br)ccc(C(=O)[O-])c1OC(F)(F)F	ZINC000514272298	398356714	/nfs/dbraw/zinc/35/67/14/398356714.db2.gz	AVUAMFYSFYGRLQ-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1c(SC(F)(F)F)ccc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000514274496	398356781	/nfs/dbraw/zinc/35/67/81/398356781.db2.gz	KXGUAJKXZGWRSU-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(Br)cc1OC(F)(F)F	ZINC000514274801	398356973	/nfs/dbraw/zinc/35/69/73/398356973.db2.gz	ORYQBLKVJCJBJA-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
O=C([O-])[C@@H](O)c1c(C(F)(F)F)cc(F)cc1C(F)(F)F	ZINC000514282501	398357481	/nfs/dbraw/zinc/35/74/81/398357481.db2.gz	MMUOWJQTMHFIPB-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1cc([C@H](O)C(=O)[O-])c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000514283025	398357608	/nfs/dbraw/zinc/35/76/08/398357608.db2.gz	SMQGKBHGJYGGMK-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc(C(F)(F)F)cc([C@@H](O)C(=O)[O-])c1C(F)(F)F	ZINC000514282982	398357648	/nfs/dbraw/zinc/35/76/48/398357648.db2.gz	RMZDEYRRRFKVNH-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc(C(F)(F)F)cc([C@H](O)C(=O)[O-])c1C(F)(F)F	ZINC000514282983	398357652	/nfs/dbraw/zinc/35/76/52/398357652.db2.gz	RMZDEYRRRFKVNH-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
O=C([O-])C(Cl)=C(Cl)C=NNc1ccc([N+](=O)[O-])cc1	ZINC000100292493	304023333	/nfs/dbraw/zinc/02/33/33/304023333.db2.gz	IPZTWAULIXCHDE-CTUCXJIYSA-N	-1	0	304.089	2.766	10	30		DFEERM
CCCc1cc(OCC(=O)[O-])nc(Nc2ccccc2C#N)n1	ZINC000073700918	191343885	/nfs/dbraw/zinc/34/38/85/191343885.db2.gz	BMNKUXXEHKLDBD-UHFFFAOYSA-N	-1	0	312.329	2.508	10	30		DFEERM
CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1	ZINC000073701124	191344286	/nfs/dbraw/zinc/34/42/86/191344286.db2.gz	YWCCEQMAGYNKBQ-UHFFFAOYSA-N	-1	0	312.329	2.508	10	30		DFEERM
O=C([O-])C(Cc1ccccc1)=NNc1ncnc2ccccc21	ZINC000606442726	399071860	/nfs/dbraw/zinc/07/18/60/399071860.db2.gz	CUFSZTLOHKDRFB-UHFFFAOYSA-N	-1	0	306.325	2.725	10	30		DFEERM
O=C([O-])CCCCCO/N=C(\c1ccccc1)c1ccncn1	ZINC000013759477	181890594	/nfs/dbraw/zinc/89/05/94/181890594.db2.gz	SGRLAPQXGWRRMC-LVZFUZTISA-N	-1	0	313.357	2.891	10	30		DFEERM
O=C([O-])CCCCCO/N=C(\c1ccccc1)c1ncccn1	ZINC000027326700	425816201	/nfs/dbraw/zinc/81/62/01/425816201.db2.gz	FQXCBDAHDKNLMQ-CAPFRKAQSA-N	-1	0	313.357	2.891	10	30		DFEERM
N#Cc1c([C@H](O)C(=O)[O-])cc(C(F)(F)F)cc1C(F)(F)F	ZINC000575341247	430078394	/nfs/dbraw/zinc/07/83/94/430078394.db2.gz	PNQQWBFMXVWQSY-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1ccc(Br)c(C(=O)[O-])c1OC(F)(F)F	ZINC000575383452	430080049	/nfs/dbraw/zinc/08/00/49/430080049.db2.gz	IPZRERHWGMECIC-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)cc(CC(=O)[O-])c1OC(F)F	ZINC000575388218	430080886	/nfs/dbraw/zinc/08/08/86/430080886.db2.gz	ONLQMVRXWWHIBJ-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1ccc(Br)c(C(F)(F)F)c1CC(=O)[O-]	ZINC000575383742	430080937	/nfs/dbraw/zinc/08/09/37/430080937.db2.gz	IXPOIYGKVVSJJD-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c(CC(=O)[O-])cc(OC(F)F)cc1OC(F)(F)F	ZINC000575387073	430081082	/nfs/dbraw/zinc/08/10/82/430081082.db2.gz	AITPMBUTPWZVRZ-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1c(Br)cc(CC(=O)[O-])cc1C(F)(F)F	ZINC000575383867	430081187	/nfs/dbraw/zinc/08/11/87/430081187.db2.gz	OIWZTQLVIQIAAL-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
CCOC(=O)Cc1ccc(C#N)c([O-])c1SC(F)(F)F	ZINC000575392315	430081884	/nfs/dbraw/zinc/08/18/84/430081884.db2.gz	RZNVSYGYBLKUGG-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
N#Cc1ccc([N+](=O)[O-])c(SC(F)(F)F)c1CC(=O)[O-]	ZINC000575393495	430083325	/nfs/dbraw/zinc/08/33/25/430083325.db2.gz	CTDDKSJLNBSELB-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CC(=O)O[C@@](C)(C#Cc1cccc(C)c1C(=O)[O-])C1(C#N)CC1	ZINC000584597602	337374501	/nfs/dbraw/zinc/37/45/01/337374501.db2.gz	WLCBZQZLKNLPAJ-KRWDZBQOSA-N	-1	0	311.337	2.670	10	30		DFEERM
C/C(=N\Nc1nc(=O)c(C(C)(C)C)n[n-]1)c1ccc(Cl)cc1	ZINC000028114258	518467052	/nfs/dbraw/zinc/46/70/52/518467052.db2.gz	MKESPIQADHWWOC-GIJQJNRQSA-N	-1	0	319.796	2.952	10	30		DFEERM
N#Cc1cc(Br)cc(OC(F)(F)F)c1C(=O)[O-]	ZINC000514271841	398356776	/nfs/dbraw/zinc/35/67/76/398356776.db2.gz	HNZHTMGZISCBJO-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1c(Br)ccc(CC(=O)[O-])c1C(F)(F)F	ZINC000514276016	398356779	/nfs/dbraw/zinc/35/67/79/398356779.db2.gz	PXDWMZUZCVQQFA-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c(CC(=O)[O-])cc([N+](=O)[O-])cc1SC(F)(F)F	ZINC000514275629	398356894	/nfs/dbraw/zinc/35/68/94/398356894.db2.gz	FDAQMTSSEQGOSV-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
O=C([O-])CCCCCO/N=C(\c1ccccc1)c1ccnnc1	ZINC000013759474	398388250	/nfs/dbraw/zinc/38/82/50/398388250.db2.gz	OQFHCZONVRWBLQ-LVZFUZTISA-N	-1	0	313.357	2.891	10	30		DFEERM
N#Cc1cc(C(=O)[O-])cc(Br)c1Br	ZINC000306618449	398508976	/nfs/dbraw/zinc/50/89/76/398508976.db2.gz	SLMCBSOYBDJTCC-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@H]2CCCC[C@@H]2C)cc1	ZINC000005929632	181297249	/nfs/dbraw/zinc/29/72/49/181297249.db2.gz	XGYFBEKHPZUCQK-JSGCOSHPSA-N	-1	0	310.419	2.766	10	30		DFEERM
N#CC1(C(=O)[O-])CC(OCc2cccc(Br)c2)C1	ZINC000606302157	399053753	/nfs/dbraw/zinc/05/37/53/399053753.db2.gz	FJVOJDURNLTNJW-UHFFFAOYSA-N	-1	0	310.147	2.723	10	30		DFEERM
CCC[C@H](NC(=O)[C@@H](CS)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000013735641	181886416	/nfs/dbraw/zinc/88/64/16/181886416.db2.gz	UAHIFNHZNXTJOL-UBHSHLNASA-N	-1	0	309.431	2.706	10	30		DFEERM
C=CCNc1ncnc([N-]c2nc(C)c(C)s2)c1[N+](=O)[O-]	ZINC000040598786	183108065	/nfs/dbraw/zinc/10/80/65/183108065.db2.gz	CKQMFIDMNCYXCT-UHFFFAOYSA-N	-1	0	306.351	2.800	10	30		DFEERM
N#Cc1ccc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)cc1	ZINC000041055702	183160190	/nfs/dbraw/zinc/16/01/90/183160190.db2.gz	WACMVTVZKXLWJF-UHFFFAOYSA-N	-1	0	307.284	2.791	10	30		DFEERM
N#Cc1c([O-])cc(Br)cc1I	ZINC000575690556	430093463	/nfs/dbraw/zinc/09/34/63/430093463.db2.gz	WUPTYEDVKDPLPY-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c(C(F)(F)F)cc([C@@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC000575341289	430078701	/nfs/dbraw/zinc/07/87/01/430078701.db2.gz	SLIYRSVIIACULB-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
CCOC(=O)Cc1cc(OC(F)(F)F)c([S-])cc1C#N	ZINC000575393638	430083020	/nfs/dbraw/zinc/08/30/20/430083020.db2.gz	ZWVDHUKDXXQICD-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#CCc1cc(C#N)c(I)cc1[S-]	ZINC000575644854	430087455	/nfs/dbraw/zinc/08/74/55/430087455.db2.gz	CSQPCQSPJADDDK-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
O=[N+]([O-])C(Br)=N[N-]c1ccc(Br)cc1	ZINC000033846192	527318341	/nfs/dbraw/zinc/31/83/41/527318341.db2.gz	CGTVGEOYAYPHCM-XFFZJAGNSA-N	-1	0	322.944	2.804	10	30		DFEERM
N#Cc1cc(OC(F)F)c(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275640	398357024	/nfs/dbraw/zinc/35/70/24/398357024.db2.gz	FZYFKEFSVSUUJG-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
O=C([O-])[C@H](O)c1c(F)ccc(C(F)(F)F)c1C(F)(F)F	ZINC000514282818	398357433	/nfs/dbraw/zinc/35/74/33/398357433.db2.gz	KDYIZTNDSSTSGD-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
O=C([O-])[C@@H](O)c1ccc(C(F)(F)F)c(F)c1C(F)(F)F	ZINC000514284265	398358130	/nfs/dbraw/zinc/35/81/30/398358130.db2.gz	YPDHIGBYYLNPSP-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
O=C([O-])[C@H](O)c1ccc(F)c(C(F)(F)F)c1C(F)(F)F	ZINC000514284378	398358139	/nfs/dbraw/zinc/35/81/39/398358139.db2.gz	GXSKVRFPHXADGI-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1ccc(Cl)c(C(=O)[O-])c1I	ZINC000306605900	398508889	/nfs/dbraw/zinc/50/88/89/398508889.db2.gz	QKXDAVYEHJWZTQ-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
N#Cc1cc(Br)cc(Br)c1CC(=O)[O-]	ZINC000307208765	398510769	/nfs/dbraw/zinc/51/07/69/398510769.db2.gz	KRFJBZKUGXTOQQ-UHFFFAOYSA-N	-1	0	318.952	2.710	10	30		DFEERM
N#Cc1ccc(C(=O)[O-])c(I)c1Cl	ZINC000307329985	398510929	/nfs/dbraw/zinc/51/09/29/398510929.db2.gz	MTLVQLSNYUSUDZ-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1F	ZINC000071248618	398611041	/nfs/dbraw/zinc/61/10/41/398611041.db2.gz	FVXVDJIRQJRVEZ-UHFFFAOYSA-N	-1	0	311.725	2.547	10	30		DFEERM
C=C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1)c1ccccc1	ZINC000262086317	203195382	/nfs/dbraw/zinc/19/53/82/203195382.db2.gz	LCSZYYPCYUTMKN-XKQJLSEDSA-N	-1	0	313.397	2.916	10	30		DFEERM
O=C([O-])CCCCCO/N=C(/c1ccccc1)c1cccnn1	ZINC000013759472	181890857	/nfs/dbraw/zinc/89/08/57/181890857.db2.gz	WSHFHADWHQFDRV-JZJYNLBNSA-N	-1	0	313.357	2.891	10	30		DFEERM
N#Cc1nc(-c2ccccc2F)oc1N1CCC(C(=O)[O-])CC1	ZINC000040165740	183042764	/nfs/dbraw/zinc/04/27/64/183042764.db2.gz	VNJKXSKBOCKIJM-UHFFFAOYSA-N	-1	0	315.304	2.653	10	30		DFEERM
Cc1ccc2nc3[n-]c(NN=Cc4ccccc4O)nnc-3c2c1	ZINC000040827547	183138161	/nfs/dbraw/zinc/13/81/61/183138161.db2.gz	SCQYLALSVJFEPQ-GIJQJNRQSA-N	-1	0	318.340	2.966	10	30		DFEERM
N#Cc1cc([C@H](O)C(=O)[O-])cc(C(F)(F)F)c1C(F)(F)F	ZINC000575341159	430079006	/nfs/dbraw/zinc/07/90/06/430079006.db2.gz	MQYSVJTWDLULMM-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1c([C@@H](O)C(=O)[O-])ccc(C(F)(F)F)c1C(F)(F)F	ZINC000575379979	430079664	/nfs/dbraw/zinc/07/96/64/430079664.db2.gz	NHXFGEVFDGGKSB-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1ccc([C@@H](O)C(=O)[O-])c(C(F)(F)F)c1C(F)(F)F	ZINC000575380126	430080195	/nfs/dbraw/zinc/08/01/95/430080195.db2.gz	OPUNTGLHSRZUFC-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1c(CC(=O)[O-])cc(Br)cc1C(F)(F)F	ZINC000575383879	430081229	/nfs/dbraw/zinc/08/12/29/430081229.db2.gz	PDANOCIQLPGFFY-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c([N+](=O)[O-])ccc(CC(=O)[O-])c1SC(F)(F)F	ZINC000575393845	430082396	/nfs/dbraw/zinc/08/23/96/430082396.db2.gz	LMDLRSXGMYAVMD-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CCOC(=O)Cc1c([S-])c(C#N)ccc1OC(F)(F)F	ZINC000575393339	430082898	/nfs/dbraw/zinc/08/28/98/430082898.db2.gz	SUDVUJHSISOUMB-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CC/C(C#C[C@@](O)(c1ccccc1)C1(C#N)CCC1)=C/C(=O)[O-]	ZINC000584626248	337376071	/nfs/dbraw/zinc/37/60/71/337376071.db2.gz	JOTOBGRQDUDPJY-RXHHAWBHSA-N	-1	0	309.365	2.992	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)cc(CC(=O)[O-])c1Br	ZINC000514275672	398356788	/nfs/dbraw/zinc/35/67/88/398356788.db2.gz	IWIBWXPCEPJWTK-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(C(F)(F)F)cc(Br)c1CC(=O)[O-]	ZINC000514272832	398356846	/nfs/dbraw/zinc/35/68/46/398356846.db2.gz	HQTSPQYNZRYARD-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000070269185	398594275	/nfs/dbraw/zinc/59/42/75/398594275.db2.gz	BJDTWZZVVIYEHT-UHFFFAOYSA-N	-1	0	317.757	2.884	10	30		DFEERM
CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1	ZINC000073701127	191344299	/nfs/dbraw/zinc/34/42/99/191344299.db2.gz	JTKGOTMQFDFYKK-UHFFFAOYSA-N	-1	0	312.329	2.679	10	30		DFEERM
C/C(=C/C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-]	ZINC000006157461	181316727	/nfs/dbraw/zinc/31/67/27/181316727.db2.gz	XKZQZXOSPBLZKK-CLFYSBASSA-N	-1	0	304.371	2.858	10	30		DFEERM
Cn1c2ccccc2sc1=NN=Cc1ccc(C(=O)[O-])cc1	ZINC000606347120	399055621	/nfs/dbraw/zinc/05/56/21/399055621.db2.gz	FLBNGXWKEYCWKM-UHFFFAOYSA-N	-1	0	311.366	2.873	10	30		DFEERM
CC(C)[C@H](NC(=O)[C@@H](CS)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000013735614	181886444	/nfs/dbraw/zinc/88/64/44/181886444.db2.gz	JAAZJNRRIZXSHL-UBHSHLNASA-N	-1	0	309.431	2.562	10	30		DFEERM
O=C([O-])c1ccc(/N=C2/NC(=O)/C(=C/c3ccc[nH]3)S2)cc1	ZINC000016904476	182063761	/nfs/dbraw/zinc/06/37/61/182063761.db2.gz	CDKYKEBQVVRVLA-WQLSENKSSA-N	-1	0	313.338	2.605	10	30		DFEERM
CCCCS(=O)(=O)[N-]c1ccc(Br)cc1C#N	ZINC000132556740	196265353	/nfs/dbraw/zinc/26/53/53/196265353.db2.gz	MTIMSQUGWPBFQW-UHFFFAOYSA-N	-1	0	317.208	2.863	10	30		DFEERM
O=C([O-])C(O)=CC(=O)c1cccc(NC(=O)c2ccccc2)c1	ZINC000101694995	426485832	/nfs/dbraw/zinc/48/58/32/426485832.db2.gz	LJHWIRSYGZWIAK-GDNBJRDFSA-N	-1	0	311.293	2.648	10	30		DFEERM
CC(=O)[N-]S(=O)(=O)c1ccc(N=Cc2ccc(C)s2)cc1	ZINC000254315887	427219853	/nfs/dbraw/zinc/21/98/53/427219853.db2.gz	GBPGZHPCMUXHDC-UHFFFAOYSA-N	-1	0	322.411	2.632	10	30		DFEERM
Cc1cc2c([n-]c(=S)n(N=Cc3ccccc3O)c2=O)s1	ZINC000254482545	427222044	/nfs/dbraw/zinc/22/20/44/427222044.db2.gz	PDJCYTYXLKVCEE-UHFFFAOYSA-N	-1	0	317.395	2.643	10	30		DFEERM
N#Cc1cc(I)cc([O-])c1Br	ZINC000575690464	430092299	/nfs/dbraw/zinc/09/22/99/430092299.db2.gz	QRIILALCQQBNPU-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cc([O-])c(I)c(Br)c1	ZINC000575690228	430093480	/nfs/dbraw/zinc/09/34/80/430093480.db2.gz	CSRTXSCEHSFKMQ-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1ccc(C(F)(F)F)c([C@H](O)C(=O)[O-])c1C(F)(F)F	ZINC000575341184	430078855	/nfs/dbraw/zinc/07/88/55/430078855.db2.gz	NTXBWOGROVWRNE-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)c(OC(F)F)cc1CC(=O)[O-]	ZINC000575388191	430081611	/nfs/dbraw/zinc/08/16/11/430081611.db2.gz	NUNMHHSTWLSLFT-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1ccc(OC(F)(F)F)c(OC(F)F)c1CC(=O)[O-]	ZINC000575387150	430081723	/nfs/dbraw/zinc/08/17/23/430081723.db2.gz	BDMAUWNABLZODX-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc(C#N)cc([S-])c1OC(F)(F)F	ZINC000575393254	430083295	/nfs/dbraw/zinc/08/32/95/430083295.db2.gz	NJHCEANUTSPCAS-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#CCc1cc([S-])cc(C#N)c1I	ZINC000575644306	430087361	/nfs/dbraw/zinc/08/73/61/430087361.db2.gz	AAUZTKDRGOUTGD-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
C#Cc1ccc(Cl)cc1-c1ccn([C@@H](C)C(=O)[O-])c(=O)c1	ZINC000584645991	430477318	/nfs/dbraw/zinc/47/73/18/430477318.db2.gz	ILDSDALXHBOACU-JTQLQIEISA-N	-1	0	301.729	2.796	10	30		DFEERM
Cn1c2ccccc2s/c1=N\N=C\c1ccc(C(=O)[O-])cc1	ZINC000012570374	294192440	/nfs/dbraw/zinc/19/24/40/294192440.db2.gz	FLBNGXWKEYCWKM-IUMGADTDSA-N	-1	0	311.366	2.873	10	30		DFEERM
N#Cc1cc(C(=O)[O-])cc(OC(F)(F)F)c1Br	ZINC000514272157	398356980	/nfs/dbraw/zinc/35/69/80/398356980.db2.gz	ISGALZXNJPBGFW-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(Br)c(C(=O)[O-])cc1OC(F)(F)F	ZINC000514272150	398357020	/nfs/dbraw/zinc/35/70/20/398357020.db2.gz	GMQMCRLQJZRDLZ-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@H](O)C(=O)[O-]	ZINC000514282396	398357704	/nfs/dbraw/zinc/35/77/04/398357704.db2.gz	CDBSUFUTICJJEK-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
CC(C)[C@H](NC(=O)[C@@H](CS)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000013735620	398388531	/nfs/dbraw/zinc/38/85/31/398388531.db2.gz	JAAZJNRRIZXSHL-XBFCOCLRSA-N	-1	0	309.431	2.562	10	30		DFEERM
CCC[C@H](NC(=O)[C@H](CS)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000253691853	398422945	/nfs/dbraw/zinc/42/29/45/398422945.db2.gz	UAHIFNHZNXTJOL-BNOWGMLFSA-N	-1	0	309.431	2.706	10	30		DFEERM
N#Cc1cc(Br)c(C(=O)[O-])cc1Br	ZINC000307309365	398511002	/nfs/dbraw/zinc/51/10/02/398511002.db2.gz	XHOPEVRNNLTHEP-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
CCNC(=O)c1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000005293482	181227257	/nfs/dbraw/zinc/22/72/57/181227257.db2.gz	ZRRLIFLGURZPGQ-VCHYOVAHSA-N	-1	0	313.313	2.801	10	30		DFEERM
C=C[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1)c1ccccc1	ZINC000262086320	203195882	/nfs/dbraw/zinc/19/58/82/203195882.db2.gz	LCSZYYPCYUTMKN-XYPHTWIQSA-N	-1	0	313.397	2.916	10	30		DFEERM
CC(C)[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-]	ZINC000263449013	146478665	/nfs/dbraw/zinc/47/86/65/146478665.db2.gz	ZRUINKYCUFZTRA-CQSZACIVSA-N	-1	0	314.301	2.536	10	30		DFEERM
COc1ccc(NC(=O)N=S(=O)([O-])c2ccc(C)cc2)cc1	ZINC000000337715	425553931	/nfs/dbraw/zinc/55/39/31/425553931.db2.gz	CVYAATGPNZIRSG-UHFFFAOYSA-N	-1	0	320.370	2.718	10	30		DFEERM
N#Cc1cc(Br)c(I)cc1[O-]	ZINC000575690562	430092908	/nfs/dbraw/zinc/09/29/08/430092908.db2.gz	XCXPERNOGDHVPQ-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c([O-])ccc(Br)c1I	ZINC000575690472	430092983	/nfs/dbraw/zinc/09/29/83/430092983.db2.gz	RLFLEPLUEIDEFN-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc(Br)c1C(F)(F)F	ZINC000575383685	430082010	/nfs/dbraw/zinc/08/20/10/430082010.db2.gz	FZMDVOFSHPHNMW-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c(CC(=O)[O-])cc(SC(F)(F)F)cc1[N+](=O)[O-]	ZINC000575394769	430083118	/nfs/dbraw/zinc/08/31/18/430083118.db2.gz	UXLXHCLOIQZXTC-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CCOC(=O)Cc1cc([S-])c(OC(F)(F)F)cc1C#N	ZINC000575393637	430083347	/nfs/dbraw/zinc/08/33/47/430083347.db2.gz	ZWTNMIZRFVHYFE-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1Cl	ZINC000036964075	600555211	/nfs/dbraw/zinc/55/52/11/600555211.db2.gz	UFDNGRXRDQTGDH-UHFFFAOYSA-N	-1	0	307.737	2.540	10	30		DFEERM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C#N)c2)cc1	ZINC000824654555	604843787	/nfs/dbraw/zinc/84/37/87/604843787.db2.gz	IPRSIDGKFCJIFA-INIZCTEOSA-N	-1	0	324.336	2.513	10	30		DFEERM
N#Cc1ccc(C(F)(F)F)c(CC(=O)[O-])c1Br	ZINC000514272770	398356744	/nfs/dbraw/zinc/35/67/44/398356744.db2.gz	AXFXXMMFDWSXGZ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c(Br)ccc(CC(=O)[O-])c1OC(F)(F)F	ZINC000514276101	398357017	/nfs/dbraw/zinc/35/70/17/398357017.db2.gz	ZALWSAHLRKGKPU-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(SC(F)(F)F)c(CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000514274477	398357037	/nfs/dbraw/zinc/35/70/37/398357037.db2.gz	JRKFUUVKURTBCL-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(F)c(C(F)(F)F)cc1C(F)(F)F	ZINC000514283196	398357656	/nfs/dbraw/zinc/35/76/56/398357656.db2.gz	DUICZPFQJSDYHP-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1cc(Br)cc(C(=O)[O-])c1Br	ZINC000306612790	398508593	/nfs/dbraw/zinc/50/85/93/398508593.db2.gz	JFRZMHRYAGIQTD-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
COc1ccc(C(=O)/C=C\c2scnc2C)cc1CC(=O)[O-]	ZINC000606443177	399071584	/nfs/dbraw/zinc/07/15/84/399071584.db2.gz	PCQZXCUWPVESJY-XQRVVYSFSA-N	-1	0	317.366	2.983	10	30		DFEERM
N#Cc1ccc(NC(=O)CCCC(=O)[O-])c(Br)c1	ZINC000037794886	182926855	/nfs/dbraw/zinc/92/68/55/182926855.db2.gz	WOUPSVHUUQNWQN-UHFFFAOYSA-N	-1	0	311.135	2.514	10	30		DFEERM
C=CCNc1ncnc([N-]c2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040599051	183108120	/nfs/dbraw/zinc/10/81/20/183108120.db2.gz	HGMAGYINODAILG-UHFFFAOYSA-N	-1	0	306.713	2.775	10	30		DFEERM
O=C(CCc1cccc2cc[nH]c21)[N-]S(=O)(=O)C(F)(F)F	ZINC000089209278	426283089	/nfs/dbraw/zinc/28/30/89/426283089.db2.gz	FHNGDUMHHHXDCW-UHFFFAOYSA-N	-1	0	320.292	2.907	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(F)c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000575340175	430078281	/nfs/dbraw/zinc/07/82/81/430078281.db2.gz	PQSFKSJMZASTFM-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c([C@H](O)C(=O)[O-])ccc(C(F)(F)F)c1C(F)(F)F	ZINC000575379997	430080329	/nfs/dbraw/zinc/08/03/29/430080329.db2.gz	NHXFGEVFDGGKSB-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1c(OC(F)(F)F)ccc(Br)c1C(=O)[O-]	ZINC000575383439	430080364	/nfs/dbraw/zinc/08/03/64/430080364.db2.gz	GTHIWFQROMSGHG-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(Br)c(OC(F)(F)F)c(C(=O)[O-])c1	ZINC000575383485	430080494	/nfs/dbraw/zinc/08/04/94/430080494.db2.gz	KVAFUXLHJULRFP-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(Br)c(C(F)(F)F)c(CC(=O)[O-])c1	ZINC000575383924	430081653	/nfs/dbraw/zinc/08/16/53/430081653.db2.gz	SHXHRSCYLYUCRJ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
CCOC(=O)Cc1ccc([S-])c(C#N)c1OC(F)(F)F	ZINC000575392948	430081775	/nfs/dbraw/zinc/08/17/75/430081775.db2.gz	ADBIVOIZDNLNMK-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1c(C(F)(F)F)ccc(Br)c1CC(=O)[O-]	ZINC000575383902	430082071	/nfs/dbraw/zinc/08/20/71/430082071.db2.gz	QYMKMIDAJRYBGJ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1ccc(SC(F)(F)F)c([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575393799	430082752	/nfs/dbraw/zinc/08/27/52/430082752.db2.gz	KCXFHDHVSPWLDN-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc(Br)c(CC(=O)[O-])cc1C(F)(F)F	ZINC000514274838	398356737	/nfs/dbraw/zinc/35/67/37/398356737.db2.gz	SLDZJYYRVNMIMV-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(Br)c(C(F)(F)F)cc1CC(=O)[O-]	ZINC000514274820	398356856	/nfs/dbraw/zinc/35/68/56/398356856.db2.gz	QIAZGGMHTPVBHM-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c(CC(=O)[O-])ccc(Br)c1OC(F)(F)F	ZINC000514275915	398356989	/nfs/dbraw/zinc/35/69/89/398356989.db2.gz	DQZWWWMGQKDKQP-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)cc(Br)c1C(=O)[O-]	ZINC000514271570	398357004	/nfs/dbraw/zinc/35/70/04/398357004.db2.gz	GKLQSADWWHYWRI-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)[O-]	ZINC000070454940	290906772	/nfs/dbraw/zinc/90/67/72/290906772.db2.gz	WKDIZCSRKTURDM-YGNOGLJPSA-N	-1	0	314.381	2.941	10	30	biogenic,in-vitro	DFEERM
COc1cc([O-])c(C(=O)/C=C/[C@@H]2C=CC(OC)=CC2)c(O)c1	ZINC000140604274	398891350	/nfs/dbraw/zinc/89/13/50/398891350.db2.gz	ACZWGLRXRSHWST-AYLMVEPYSA-N	-1	0	302.326	2.952	10	30		DFEERM
CC(C)(C)OC(=O)N[C@H](C/C=C\c1ccc(C#N)cc1)C(=O)[O-]	ZINC000096028635	193491872	/nfs/dbraw/zinc/49/18/72/193491872.db2.gz	CATKGOPTFNVPFW-ZRUQZJFASA-N	-1	0	316.357	2.939	10	30		DFEERM
Cc1ccccc1-c1nc(C#N)c(N2CCC(C(=O)[O-])CC2)o1	ZINC000040165738	183042450	/nfs/dbraw/zinc/04/24/50/183042450.db2.gz	NCDDWUSZFHZHGI-UHFFFAOYSA-N	-1	0	311.341	2.823	10	30		DFEERM
COc1ccc([N+](=O)[O-])cc1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000095938429	426374970	/nfs/dbraw/zinc/37/49/70/426374970.db2.gz	ZPNMQRJWQXFAOZ-NVNXTCNLSA-N	-1	0	317.257	2.968	10	30		DFEERM
FC(F)Oc1ccc(C=Nn2c(=S)[n-]nc2C(F)F)cc1	ZINC000254393254	427218935	/nfs/dbraw/zinc/21/89/35/427218935.db2.gz	BCXCEXHGKHHBIA-UHFFFAOYSA-N	-1	0	320.271	2.988	10	30		DFEERM
COC(=O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000257353242	427335829	/nfs/dbraw/zinc/33/58/29/427335829.db2.gz	QCFSMXATTZGSCP-UHFFFAOYSA-N	-1	0	300.270	2.838	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c([C@@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC000575341092	430078331	/nfs/dbraw/zinc/07/83/31/430078331.db2.gz	KJOMHSHNVDKNMP-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc([C@@H](O)C(=O)[O-])cc(C(F)(F)F)c1C(F)(F)F	ZINC000575341157	430078614	/nfs/dbraw/zinc/07/86/14/430078614.db2.gz	MQYSVJTWDLULMM-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1c(Br)cc(CC(=O)[O-])cc1OC(F)(F)F	ZINC000575383327	430079624	/nfs/dbraw/zinc/07/96/24/430079624.db2.gz	ADDOEKJKFYFREJ-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(OC(F)(F)F)cc1Br	ZINC000575383861	430081113	/nfs/dbraw/zinc/08/11/13/430081113.db2.gz	NYJJWTPSZZIIMX-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c(OC(F)(F)F)c1OC(F)F	ZINC000575388243	430081348	/nfs/dbraw/zinc/08/13/48/430081348.db2.gz	PNZFVJWAISABEV-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1cc([N+](=O)[O-])cc(CC(=O)[O-])c1SC(F)(F)F	ZINC000575393454	430082503	/nfs/dbraw/zinc/08/25/03/430082503.db2.gz	AHXGPWHBZQCFNB-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc(SC(F)(F)F)cc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575394849	430082614	/nfs/dbraw/zinc/08/26/14/430082614.db2.gz	XHFOCGUCQNFHFA-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
C#Cc1ccc(Cl)cc1-c1ccn([C@H](C)C(=O)[O-])c(=O)c1	ZINC000584645996	430477341	/nfs/dbraw/zinc/47/73/41/430477341.db2.gz	ILDSDALXHBOACU-SNVBAGLBSA-N	-1	0	301.729	2.796	10	30		DFEERM
CN(C(=O)c1cccc(CC#N)c1)C1(C(=O)[O-])CCCCC1	ZINC000191300773	333279070	/nfs/dbraw/zinc/27/90/70/333279070.db2.gz	ZXOMHXJXZULNNE-UHFFFAOYSA-N	-1	0	300.358	2.612	10	30		DFEERM
N#CC1([C@@](O)(C#Cc2cccc(C(=O)[O-])c2)c2ccccc2)CC1	ZINC000584597905	337374512	/nfs/dbraw/zinc/37/45/12/337374512.db2.gz	XEHGLVPVWGFHIU-HXUWFJFHSA-N	-1	0	317.344	2.928	10	30		DFEERM
N#Cc1cc(Br)c(CC(=O)[O-])c(C(F)(F)F)c1	ZINC000514272785	398356874	/nfs/dbraw/zinc/35/68/74/398356874.db2.gz	BWKUFXDTSRKQOT-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(C(F)(F)F)cc1Br	ZINC000514274764	398356883	/nfs/dbraw/zinc/35/68/83/398356883.db2.gz	LXFAYDVOPQHCJZ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c(CC(=O)[O-])cc(OC(F)(F)F)cc1OC(F)F	ZINC000514275728	398357014	/nfs/dbraw/zinc/35/70/14/398357014.db2.gz	NOSWWZUOFKSPHY-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(C(F)(F)F)c(F)cc1C(F)(F)F	ZINC000514282890	398357508	/nfs/dbraw/zinc/35/75/08/398357508.db2.gz	NPCJEUFTQZGDBL-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
O=C([O-])[C@H](O)c1c(C(F)(F)F)ccc(F)c1C(F)(F)F	ZINC000514282536	398357644	/nfs/dbraw/zinc/35/76/44/398357644.db2.gz	PZMRQOZHFXCMGX-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
O=C([O-])C#Cc1cc(Br)sc1Br	ZINC000236421193	398361763	/nfs/dbraw/zinc/36/17/63/398361763.db2.gz	YDFCRFDPJVWTKP-UHFFFAOYSA-N	-1	0	309.966	2.709	10	30		DFEERM
Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1	ZINC000164871673	145226859	/nfs/dbraw/zinc/22/68/59/145226859.db2.gz	PFOKUIRWWVMRDB-UHFFFAOYSA-N	-1	0	307.762	2.716	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc(Br)c1OC(F)(F)F	ZINC000575383468	430079523	/nfs/dbraw/zinc/07/95/23/430079523.db2.gz	JOIKBNJCDIUKMO-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)c(C(=O)[O-])cc1Br	ZINC000575383684	430081633	/nfs/dbraw/zinc/08/16/33/430081633.db2.gz	YSYKUCQUORVOEM-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1c(CC(=O)[O-])ccc(SC(F)(F)F)c1[N+](=O)[O-]	ZINC000575394162	430082765	/nfs/dbraw/zinc/08/27/65/430082765.db2.gz	NLVVCYCIKIUNMO-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc([C@@H](O)C(=O)[O-])c(C(F)(F)F)cc1C(F)(F)F	ZINC000514282722	398357670	/nfs/dbraw/zinc/35/76/70/398357670.db2.gz	FFCREDIRQLVMOD-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
COCc1cc(C)nc(N=NCc2ccc(C(=O)[O-])cc2)c1C#N	ZINC000004779915	181150874	/nfs/dbraw/zinc/15/08/74/181150874.db2.gz	IXWBLYAJLNVIBG-DJKKODMXSA-N	-1	0	324.340	2.552	10	30		DFEERM
O=C([O-])c1ccc(/N=C2/NC(=O)/C(=C/c3ccco3)S2)cc1	ZINC000016904479	182063806	/nfs/dbraw/zinc/06/38/06/182063806.db2.gz	RXCMVXASSFMAIE-WQLSENKSSA-N	-1	0	314.322	2.869	10	30		DFEERM
O=C([O-])CCCCCO/N=C(/c1ccccc1)c1cnccn1	ZINC000013759482	425762747	/nfs/dbraw/zinc/76/27/47/425762747.db2.gz	HKCTZFLYWBFZLN-JZJYNLBNSA-N	-1	0	313.357	2.891	10	30		DFEERM
O=C(C=C([O-])c1ccc(Cc2ccc(F)cc2)o1)c1nc[nH]n1	ZINC000100406242	426481793	/nfs/dbraw/zinc/48/17/93/426481793.db2.gz	HFHDGHOGHWXXDT-ZSOIEALJSA-N	-1	0	313.288	2.909	10	30	investigational	DFEERM
N#Cc1cc([O-])c(Br)cc1I	ZINC000575690604	430093052	/nfs/dbraw/zinc/09/30/52/430093052.db2.gz	ZABFYEBJXAKVCK-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
O=C([O-])[C@@H](O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1F	ZINC000575381022	430079548	/nfs/dbraw/zinc/07/95/48/430079548.db2.gz	QBPNRGGJGOWILK-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1cc(Br)cc(CC(=O)[O-])c1C(F)(F)F	ZINC000575383566	430080025	/nfs/dbraw/zinc/08/00/25/430080025.db2.gz	AMKWEDOMUFGGHJ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1c(Br)cc(OC(F)(F)F)cc1C(=O)[O-]	ZINC000575383412	430080556	/nfs/dbraw/zinc/08/05/56/430080556.db2.gz	FTETVKCEVCUGSH-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc(OC(F)(F)F)c1OC(F)F	ZINC000575388272	430082075	/nfs/dbraw/zinc/08/20/75/430082075.db2.gz	QVUZBMUEYXFRLJ-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc([S-])cc(OC(F)(F)F)c1C#N	ZINC000575393345	430082269	/nfs/dbraw/zinc/08/22/69/430082269.db2.gz	SWKMNGVLRXFAGA-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc(OC(F)F)c(CC(=O)[O-])cc1OC(F)(F)F	ZINC000514275151	398356757	/nfs/dbraw/zinc/35/67/57/398356757.db2.gz	AMFCQOFBRVOLCY-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1cc(OC(F)F)c(CC(=O)[O-])c(OC(F)(F)F)c1	ZINC000514273975	398356785	/nfs/dbraw/zinc/35/67/85/398356785.db2.gz	DZVZUDCDWNKRLI-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(F)cc(C(F)(F)F)c1C(F)(F)F	ZINC000514283276	398357534	/nfs/dbraw/zinc/35/75/34/398357534.db2.gz	IVLGVLIELIJARW-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(C(F)(F)F)c(F)cc1C(F)(F)F	ZINC000514282891	398357599	/nfs/dbraw/zinc/35/75/99/398357599.db2.gz	NPCJEUFTQZGDBL-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1cc(C(=O)[O-])c(Br)cc1Br	ZINC000307272037	398510849	/nfs/dbraw/zinc/51/08/49/398510849.db2.gz	SQDWSBFLINKPLG-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
O=c1[n-][nH]c(=O)c2cccc(N=Cc3c[nH]c4ccccc34)c12	ZINC000000298080	180750835	/nfs/dbraw/zinc/75/08/35/180750835.db2.gz	STSKWMLPTMICHK-DJKKODMXSA-N	-1	0	304.309	2.861	10	30		DFEERM
C=CC[C@](NC(=O)OCc1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000016158539	182035557	/nfs/dbraw/zinc/03/55/57/182035557.db2.gz	KEOIHZQYVZHIOA-ZDUSSCGKSA-N	-1	0	317.263	2.875	10	30		DFEERM
CCCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[nH]n1	ZINC000228376129	146009584	/nfs/dbraw/zinc/00/95/84/146009584.db2.gz	DYPYGONUSBEFHF-UHFFFAOYSA-N	-1	0	324.793	2.688	10	30		DFEERM
N#CCc1cc(I)cc([S-])c1C#N	ZINC000575650629	430088963	/nfs/dbraw/zinc/08/89/63/430088963.db2.gz	YSHSYZJNQFUFJU-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#Cc1ccc(Br)c(I)c1[O-]	ZINC000575690319	430093078	/nfs/dbraw/zinc/09/30/78/430093078.db2.gz	ITBMTLLENYRENJ-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1	ZINC000575340197	430078287	/nfs/dbraw/zinc/07/82/87/430078287.db2.gz	QUMODDWAZSWHEI-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1ccc(Br)c(CC(=O)[O-])c1C(F)(F)F	ZINC000575383934	430081557	/nfs/dbraw/zinc/08/15/57/430081557.db2.gz	UBFLPUKDOJVVHB-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
CCOC(=O)Cc1cc([O-])c(SC(F)(F)F)cc1C#N	ZINC000575392327	430081640	/nfs/dbraw/zinc/08/16/40/430081640.db2.gz	SKGJFYWWZOWWSJ-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
N#Cc1cc(Br)cc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575383892	430081717	/nfs/dbraw/zinc/08/17/17/430081717.db2.gz	QFGQJUUNXFVIRS-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1c(CC(=O)[O-])ccc(OC(F)(F)F)c1OC(F)F	ZINC000575388458	430081856	/nfs/dbraw/zinc/08/18/56/430081856.db2.gz	VLSSZDDDZTZEDV-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1c(OC(F)(F)F)ccc(OC(F)F)c1CC(=O)[O-]	ZINC000575387776	430081899	/nfs/dbraw/zinc/08/18/99/430081899.db2.gz	KAKOMAZHIXBCRD-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1c([S-])cc(OC(F)(F)F)cc1C#N	ZINC000575393627	430082383	/nfs/dbraw/zinc/08/23/83/430082383.db2.gz	ZKQYSOFJQHNTNS-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
C=CCC[C@H](NC(=O)CCOc1ccc(C)cc1C)C(=O)[O-]	ZINC000262943629	341533272	/nfs/dbraw/zinc/53/32/72/341533272.db2.gz	QCEMLGRHKTYHTL-AWEZNQCLSA-N	-1	0	305.374	2.608	10	30		DFEERM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C#N)c1	ZINC000160702941	526634139	/nfs/dbraw/zinc/63/41/39/526634139.db2.gz	JIGCCPVGTTZFJV-UHFFFAOYSA-N	-1	0	317.757	2.884	10	30		DFEERM
N#Cc1c(C(=O)[O-])ccc(Br)c1OC(F)(F)F	ZINC000514272338	398356751	/nfs/dbraw/zinc/35/67/51/398356751.db2.gz	JTRZKSLPNFXZAV-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
O=C([O-])[C@@H](O)c1c(F)ccc(C(F)(F)F)c1C(F)(F)F	ZINC000514282819	398357757	/nfs/dbraw/zinc/35/77/57/398357757.db2.gz	KDYIZTNDSSTSGD-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(Cl)ccc(C(=O)[O-])c1I	ZINC000307276238	398510803	/nfs/dbraw/zinc/51/08/03/398510803.db2.gz	VGPHNYNAQQIWRH-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
C=CC[C@@](NC(=O)OCc1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000016158537	182035646	/nfs/dbraw/zinc/03/56/46/182035646.db2.gz	KEOIHZQYVZHIOA-CYBMUJFWSA-N	-1	0	317.263	2.875	10	30		DFEERM
C=CCN1C(=O)[N-]C(=O)C(=Cc2cn(C)c3ccccc23)C1=O	ZINC000016382517	182042798	/nfs/dbraw/zinc/04/27/98/182042798.db2.gz	IAXGSIFRYOSCTE-UKTHLTGXSA-N	-1	0	309.325	2.666	10	30		DFEERM
N#CCCCS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000036893846	182851695	/nfs/dbraw/zinc/85/16/95/182851695.db2.gz	YRIMDGJXFICQLU-UHFFFAOYSA-N	-1	0	322.169	2.769	10	30		DFEERM
O=C([O-])c1ccc(/C=N\NC(=S)NC2CCCCC2)cc1	ZINC000033413812	304232473	/nfs/dbraw/zinc/23/24/73/304232473.db2.gz	UHEWKBSYFIQXOV-YBEGLDIGSA-N	-1	0	305.403	2.516	10	30		DFEERM
Cc1ccc(C(=O)[O-])cc1NCC(=O)Nc1ccccc1C#N	ZINC000008721137	425673988	/nfs/dbraw/zinc/67/39/88/425673988.db2.gz	XEWNQVSCQWWUBS-UHFFFAOYSA-N	-1	0	309.325	2.616	10	30		DFEERM
N#Cc1c([O-])ccc(I)c1Br	ZINC000575690403	430093240	/nfs/dbraw/zinc/09/32/40/430093240.db2.gz	MTLUYVVGHXULMR-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
O=C([O-])[C@@H](O)c1cc(F)c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000575340177	430078678	/nfs/dbraw/zinc/07/86/78/430078678.db2.gz	PQSFKSJMZASTFM-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1cc(OC(F)F)cc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575387235	430081386	/nfs/dbraw/zinc/08/13/86/430081386.db2.gz	DQLBJSXOZXZQBW-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@@]3(C(=O)[O-])C1)CCCC2	ZINC000263543395	303186764	/nfs/dbraw/zinc/18/67/64/303186764.db2.gz	FHJVOJPPXOQFKT-KBXCAEBGSA-N	-1	0	311.385	2.523	10	30		DFEERM
N#Cc1ccc(OC(F)(F)F)c(Br)c1CC(=O)[O-]	ZINC000514273034	398356825	/nfs/dbraw/zinc/35/68/25/398356825.db2.gz	OQNJVPYMKSHVKR-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1ccc(C(=O)[O-])c(Br)c1OC(F)(F)F	ZINC000514272359	398356915	/nfs/dbraw/zinc/35/69/15/398356915.db2.gz	NYSONDBKWKTPPI-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(Br)c(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275283	398356942	/nfs/dbraw/zinc/35/69/42/398356942.db2.gz	PMRBMJHLPFUKDZ-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(Br)c(CC(=O)[O-])cc1OC(F)(F)F	ZINC000514275206	398356946	/nfs/dbraw/zinc/35/69/46/398356946.db2.gz	IHOJLNMTMVZLKD-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
C=C[C@@H](Nc1cccc(I)c1C)C(=O)[O-]	ZINC000301005489	398493518	/nfs/dbraw/zinc/49/35/18/398493518.db2.gz	YXVDWTABEHZKRR-SECBINFHSA-N	-1	0	317.126	2.651	10	30		DFEERM
N#Cc1cc(C(=O)[O-])c(Cl)cc1I	ZINC000306608765	398508538	/nfs/dbraw/zinc/50/85/38/398508538.db2.gz	XBGTWTWWEJVQFW-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
Cc1cccc(-c2nc(C#N)c(N3CCC(C(=O)[O-])CC3)o2)c1	ZINC000040165736	183042891	/nfs/dbraw/zinc/04/28/91/183042891.db2.gz	XBJNARWURWXPID-UHFFFAOYSA-N	-1	0	311.341	2.823	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(C(F)(F)F)cc(F)c1C(F)(F)F	ZINC000575339725	430078167	/nfs/dbraw/zinc/07/81/67/430078167.db2.gz	AFSMQPFJPZQIQQ-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(OC(F)F)cc(CC(=O)[O-])cc1OC(F)(F)F	ZINC000575388572	430080813	/nfs/dbraw/zinc/08/08/13/430080813.db2.gz	YLCUIBBQMDUBOB-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1ccc([S-])c(OC(F)(F)F)c1C#N	ZINC000575393177	430080988	/nfs/dbraw/zinc/08/09/88/430080988.db2.gz	IYZVHYKLXJBVGI-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c(CC(=O)[O-])cc1Br	ZINC000575383928	430081107	/nfs/dbraw/zinc/08/11/07/430081107.db2.gz	SUMCBPMFTXQDQF-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(C(=O)[O-])c(OC(F)(F)F)cc1Br	ZINC000575383611	430081823	/nfs/dbraw/zinc/08/18/23/430081823.db2.gz	SUSRQAUPBFGAGS-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#CCc1cc([S-])c(C#N)c(I)c1	ZINC000575645799	430086933	/nfs/dbraw/zinc/08/69/33/430086933.db2.gz	GQXYBVHXWGRXQZ-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
CC(=O)O[C@](C)(C#Cc1cccc(C)c1C(=O)[O-])C1(C#N)CC1	ZINC000584597605	337374522	/nfs/dbraw/zinc/37/45/22/337374522.db2.gz	WLCBZQZLKNLPAJ-QGZVFWFLSA-N	-1	0	311.337	2.670	10	30		DFEERM
N#CC1([C@@](O)(C#Cc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1	ZINC000584598231	337374558	/nfs/dbraw/zinc/37/45/58/337374558.db2.gz	JKFNNOJOLARSPF-HXUWFJFHSA-N	-1	0	317.344	2.928	10	30		DFEERM
N#Cc1c(Br)c(C(=O)[O-])ccc1OC(F)(F)F	ZINC000514272560	398356795	/nfs/dbraw/zinc/35/67/95/398356795.db2.gz	ZSXXUCHMJNBAEO-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
O=C([O-])[C@@H](O)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F	ZINC000514283053	398357713	/nfs/dbraw/zinc/35/77/13/398357713.db2.gz	USKYUMICDGNLRA-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(Cl)c(I)ccc1C(=O)[O-]	ZINC000307340066	398510745	/nfs/dbraw/zinc/51/07/45/398510745.db2.gz	SSDPDAZEUXGREF-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
N#Cc1cc(C(=O)[O-])cc(I)c1Cl	ZINC000307434647	398511577	/nfs/dbraw/zinc/51/15/77/398511577.db2.gz	MJBMBEUXPJGHSX-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccnc2Cl)cc1	ZINC000072595063	191198855	/nfs/dbraw/zinc/19/88/55/191198855.db2.gz	ZDXJEAOWBMHNTI-UHFFFAOYSA-N	-1	0	310.762	2.737	10	30		DFEERM
CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccccc2C#N)n1	ZINC000073700923	191343668	/nfs/dbraw/zinc/34/36/68/191343668.db2.gz	XYAYXSMKERGROX-UHFFFAOYSA-N	-1	0	312.329	2.679	10	30		DFEERM
Cc1ncsc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000606443593	399072344	/nfs/dbraw/zinc/07/23/44/399072344.db2.gz	JBHYLHLAPQPNQG-WAYWQWQTSA-N	-1	0	303.339	2.811	10	30		DFEERM
O=C([O-])CCCCCO/N=C(/c1ccccc1)c1ncccn1	ZINC000027326695	182468889	/nfs/dbraw/zinc/46/88/89/182468889.db2.gz	FQXCBDAHDKNLMQ-SILNSSARSA-N	-1	0	313.357	2.891	10	30		DFEERM
C=CCc1ccccc1OCC(=O)NCCCCCC(=O)[O-]	ZINC000064873613	184305300	/nfs/dbraw/zinc/30/53/00/184305300.db2.gz	UUGNLJYIUQUILI-UHFFFAOYSA-N	-1	0	305.374	2.555	10	30		DFEERM
CCOC1=CC(=O)c2c(O)c(Cl)c(Cl)c([O-])c2C1=O	ZINC000196244112	426543121	/nfs/dbraw/zinc/54/31/21/426543121.db2.gz	ICKILDOKMCKCIG-UHFFFAOYSA-N	-1	0	303.097	2.704	10	30		DFEERM
N#Cc1ccc([O-])c(I)c1Br	ZINC000575690566	430092787	/nfs/dbraw/zinc/09/27/87/430092787.db2.gz	XFZLVNBKXCUYCG-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c(Br)ccc([O-])c1I	ZINC000575690447	430092942	/nfs/dbraw/zinc/09/29/42/430092942.db2.gz	PVBBRBOMCHHDAM-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1ccc(OC(F)F)c(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575388426	430081094	/nfs/dbraw/zinc/08/10/94/430081094.db2.gz	UWULDSZAEHOTHI-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1ccc(OC(F)F)c(CC(=O)[O-])c1OC(F)(F)F	ZINC000575387870	430081381	/nfs/dbraw/zinc/08/13/81/430081381.db2.gz	NGXBWOLRDORZHX-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1[S-]	ZINC000575393192	430081789	/nfs/dbraw/zinc/08/17/89/430081789.db2.gz	JUBPDEKLCFSZJO-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOC(=O)Cc1c(C#N)ccc([O-])c1SC(F)(F)F	ZINC000575391654	430081918	/nfs/dbraw/zinc/08/19/18/430081918.db2.gz	BWZGWPMLJORHSR-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
N#Cc1cc(Br)cc(C(=O)[O-])c1OC(F)(F)F	ZINC000575383663	430081929	/nfs/dbraw/zinc/08/19/29/430081929.db2.gz	XPAJGDDYTFHHEA-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
CCOC(=O)Cc1c(C#N)ccc(OC(F)(F)F)c1[S-]	ZINC000575393568	430082373	/nfs/dbraw/zinc/08/23/73/430082373.db2.gz	VQFNCMBTBBVBKQ-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc(SC(F)(F)F)c([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000575394823	430083302	/nfs/dbraw/zinc/08/33/02/430083302.db2.gz	WMEJSVVCIRZATA-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CCOc1ccccc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000584596621	337374213	/nfs/dbraw/zinc/37/42/13/337374213.db2.gz	VJGILRAIPHOOCK-UHFFFAOYSA-N	-1	0	302.355	2.758	10	30		DFEERM
C=CCCOc1cc(=O)n(C)cc1-c1cc([N+](=O)[O-])ccc1[O-]	ZINC000584622020	337374917	/nfs/dbraw/zinc/37/49/17/337374917.db2.gz	KYIDQYPRPRGWSK-UHFFFAOYSA-N	-1	0	316.313	2.621	10	30		DFEERM
C=CCC[C@@H](NC(=O)CCOc1cc(C)ccc1C)C(=O)[O-]	ZINC000262842750	341531548	/nfs/dbraw/zinc/53/15/48/341531548.db2.gz	HCTSCLZVGHUFHY-CQSZACIVSA-N	-1	0	305.374	2.608	10	30		DFEERM
C/C(C(=O)c1ccc(F)cc1)=[N+](\[O-])C/C(=N\[O-])c1ccccc1	ZINC000225403072	398348407	/nfs/dbraw/zinc/34/84/07/398348407.db2.gz	BKMVWSRQENGERK-KNTRCKAVSA-O	-1	0	315.324	2.750	10	30		DFEERM
N#Cc1c(Br)c(CC(=O)[O-])ccc1C(F)(F)F	ZINC000514275999	398356797	/nfs/dbraw/zinc/35/67/97/398356797.db2.gz	NTVBZCZKXLCHPZ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc(OC(F)(F)F)c1Br	ZINC000514275181	398356830	/nfs/dbraw/zinc/35/68/30/398356830.db2.gz	DWMJFSFUBYKUTB-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(Br)c(C(=O)[O-])c(OC(F)(F)F)c1	ZINC000514271843	398356969	/nfs/dbraw/zinc/35/69/69/398356969.db2.gz	IXVAHJVQURBZBC-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
O=C([O-])C(Cl)=C(Cl)C=NNc1ccc([N+](=O)[O-])cc1	ZINC000033751645	304023440	/nfs/dbraw/zinc/02/34/40/304023440.db2.gz	IPZTWAULIXCHDE-MUNAZHMESA-N	-1	0	304.089	2.766	10	30		DFEERM
CCC[C@](C)(NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000236808039	202020448	/nfs/dbraw/zinc/02/04/48/202020448.db2.gz	VJBPQPQKFSCZQX-INIZCTEOSA-N	-1	0	320.414	2.551	10	30		DFEERM
O=C([O-])CCCCCCNC(=O)[C@H](CS)Cc1ccccc1	ZINC000005138990	181208480	/nfs/dbraw/zinc/20/84/80/181208480.db2.gz	KJVKOEVEFLXJES-HNNXBMFYSA-N	-1	0	323.458	2.926	10	30		DFEERM
C=CCNc1ncnc([N-]c2ccc(Cl)cn2)c1[N+](=O)[O-]	ZINC000040598715	183107997	/nfs/dbraw/zinc/10/79/97/183107997.db2.gz	RQPVCUSPZMPGDT-UHFFFAOYSA-N	-1	0	306.713	2.775	10	30		DFEERM
CCOC(=O)Cc1cc(C#N)c([O-])c(SC(F)(F)F)c1	ZINC000575392290	430081666	/nfs/dbraw/zinc/08/16/66/430081666.db2.gz	RBJSAAATQUJIST-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1SC(F)(F)F	ZINC000575393505	430083283	/nfs/dbraw/zinc/08/32/83/430083283.db2.gz	DGNZLZHXFREXOU-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#CCc1cc(I)c([S-])cc1C#N	ZINC000575644689	430087303	/nfs/dbraw/zinc/08/73/03/430087303.db2.gz	BYTAYNDDBGQHSM-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#CCc1c([S-])cc(C#N)cc1I	ZINC000575646155	430087459	/nfs/dbraw/zinc/08/74/59/430087459.db2.gz	IISYCCSFINISKR-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
O=C([O-])C(Cl)=C(Cl)C=NNc1ccc([N+](=O)[O-])cc1	ZINC000100292489	304023368	/nfs/dbraw/zinc/02/33/68/304023368.db2.gz	IPZTWAULIXCHDE-ABJYCCJOSA-N	-1	0	304.089	2.766	10	30		DFEERM
CO/N=C(\C(=O)[O-])c1ccccc1COc1ccc(O)cc1C	ZINC000097974978	398671030	/nfs/dbraw/zinc/67/10/30/398671030.db2.gz	HEMVDCDJEKCCCZ-VLGSPTGOSA-N	-1	0	315.325	2.715	10	30		DFEERM
C[C@@H]1CCc2c(C#N)c(NC(=O)CCCC(=O)[O-])sc2C1	ZINC000006250355	181322531	/nfs/dbraw/zinc/32/25/31/181322531.db2.gz	DMERHWZDFCEHJK-SECBINFHSA-N	-1	0	306.387	2.938	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c([C@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC000575341094	430078853	/nfs/dbraw/zinc/07/88/53/430078853.db2.gz	KJOMHSHNVDKNMP-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
O=C([O-])[C@@H](O)c1c(F)c(C(F)(F)F)ccc1C(F)(F)F	ZINC000575381628	430080383	/nfs/dbraw/zinc/08/03/83/430080383.db2.gz	XLWCPMGQSZLVRY-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(OC(F)(F)F)cc(Br)cc1C(=O)[O-]	ZINC000575383565	430080473	/nfs/dbraw/zinc/08/04/73/430080473.db2.gz	OIEWOKCINKXWNZ-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1c(Br)cc(C(=O)[O-])cc1OC(F)(F)F	ZINC000575383691	430080904	/nfs/dbraw/zinc/08/09/04/430080904.db2.gz	ZJFQXSADZIHILH-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1c(Br)c(C(F)(F)F)ccc1CC(=O)[O-]	ZINC000575383936	430081101	/nfs/dbraw/zinc/08/11/01/430081101.db2.gz	UCLOGWMPJXQMQB-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(SC(F)(F)F)cc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575394776	430082936	/nfs/dbraw/zinc/08/29/36/430082936.db2.gz	UYZFSYLDTCTTML-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1ccc(SC(F)(F)F)c(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575393804	430083460	/nfs/dbraw/zinc/08/34/60/430083460.db2.gz	KFDJWRYLZZYWLR-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#CC1([C@@](O)(C#Cc2ccc(C(=O)[O-])cc2)C2CCCC2)CC1	ZINC000584598332	337374578	/nfs/dbraw/zinc/37/45/78/337374578.db2.gz	MOUFICGQFDONEP-LJQANCHMSA-N	-1	0	309.365	2.961	10	30		DFEERM
CCCC[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000096753532	185386199	/nfs/dbraw/zinc/38/61/99/185386199.db2.gz	BSDPDIYRINSULO-AWEZNQCLSA-N	-1	0	320.414	2.551	10	30		DFEERM
O=C([O-])CCC(=O)N1Cc2ccccc2C#Cc2ccccc21	ZINC000230493817	398356510	/nfs/dbraw/zinc/35/65/10/398356510.db2.gz	NDLOVDOICXITOK-UHFFFAOYSA-N	-1	0	305.333	2.798	10	30		DFEERM
N#Cc1cc(Br)c(OC(F)(F)F)cc1C(=O)[O-]	ZINC000514272166	398356904	/nfs/dbraw/zinc/35/69/04/398356904.db2.gz	KOOWNJIGMCWCKU-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c([C@@H](O)C(=O)[O-])c(C(F)(F)F)c1	ZINC000514282562	398357618	/nfs/dbraw/zinc/35/76/18/398357618.db2.gz	SABQLQLZMJVSSW-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
COc1ccc([N+](=O)[O-])cc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254523047	398423096	/nfs/dbraw/zinc/42/30/96/398423096.db2.gz	ZPNMQRJWQXFAOZ-UHFFFAOYSA-N	-1	0	317.257	2.968	10	30		DFEERM
CCCCCCCSC(=S)[N-][C@H]1C=CS(=O)(=O)C1	ZINC000059568497	399110163	/nfs/dbraw/zinc/11/01/63/399110163.db2.gz	GLOXECCUABJWDC-NSHDSACASA-N	-1	0	307.506	2.875	10	30		DFEERM
N#Cc1nc(-c2ccc(F)cc2)oc1N1CCC(C(=O)[O-])CC1	ZINC000040165737	183042743	/nfs/dbraw/zinc/04/27/43/183042743.db2.gz	YOOQNUILZHEJRD-UHFFFAOYSA-N	-1	0	315.304	2.653	10	30		DFEERM
N#Cc1ccc(Br)c([O-])c1I	ZINC000575690543	430093162	/nfs/dbraw/zinc/09/31/62/430093162.db2.gz	WCPKNEMQTABKHS-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1ccc(C(F)(F)F)c([C@@H](O)C(=O)[O-])c1C(F)(F)F	ZINC000575341182	430079180	/nfs/dbraw/zinc/07/91/80/430079180.db2.gz	NTXBWOGROVWRNE-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1c(OC(F)F)ccc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575388500	430080954	/nfs/dbraw/zinc/08/09/54/430080954.db2.gz	WFJFLIVHAQUCJB-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1ccc(Br)c(CC(=O)[O-])c1OC(F)(F)F	ZINC000575383956	430081354	/nfs/dbraw/zinc/08/13/54/430081354.db2.gz	WAFKHIWGJIQILQ-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
CCOC(=O)Cc1ccc(OC(F)(F)F)c([S-])c1C#N	ZINC000575393297	430082905	/nfs/dbraw/zinc/08/29/05/430082905.db2.gz	QBEUMIKKBCJDTG-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(SC(F)(F)F)c([N+](=O)[O-])c1	ZINC000575394281	430083456	/nfs/dbraw/zinc/08/34/56/430083456.db2.gz	SBTHIHUWEBEXDW-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N/[O-]	ZINC000006884016	303185729	/nfs/dbraw/zinc/18/57/29/303185729.db2.gz	QJOHVEXKGQRQGS-PEZBUJJGSA-N	-1	0	310.225	2.582	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1[C@@H](O)C(=O)[O-]	ZINC000514282724	398357780	/nfs/dbraw/zinc/35/77/80/398357780.db2.gz	FHTBVTMWDHJMDS-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
COc1cc(/C=N/O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000005103118	181203949	/nfs/dbraw/zinc/20/39/49/181203949.db2.gz	ROHOMDYTVTWLAA-RQZCQDPDSA-N	-1	0	301.298	2.781	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@H]2CCCC[C@H]2C)cc1	ZINC000005929635	181297360	/nfs/dbraw/zinc/29/73/60/181297360.db2.gz	XGYFBEKHPZUCQK-OCCSQVGLSA-N	-1	0	310.419	2.766	10	30		DFEERM
N#Cc1cc(C(F)(F)F)cc(CC(=O)[O-])c1Br	ZINC000575383951	430080974	/nfs/dbraw/zinc/08/09/74/430080974.db2.gz	VNYZBJRQVZIFFF-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(OC(F)(F)F)cc1OC(F)F	ZINC000575387241	430081471	/nfs/dbraw/zinc/08/14/71/430081471.db2.gz	FCAYCPPOBLETSK-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1[O-]	ZINC000575391669	430081510	/nfs/dbraw/zinc/08/15/10/430081510.db2.gz	CUDDEGIPBQQCEY-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
N#Cc1ccc(OC(F)(F)F)c(CC(=O)[O-])c1OC(F)F	ZINC000575388263	430081605	/nfs/dbraw/zinc/08/16/05/430081605.db2.gz	QHPIAICYLYHDKZ-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1c([S-])cc(C#N)cc1OC(F)(F)F	ZINC000575393326	430082623	/nfs/dbraw/zinc/08/26/23/430082623.db2.gz	SFDCYVGKLOGORL-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1[S-]	ZINC000575393324	430082706	/nfs/dbraw/zinc/08/27/06/430082706.db2.gz	SCHOMWPOLMOGHY-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOC(=O)Cc1c([S-])ccc(C#N)c1OC(F)(F)F	ZINC000575393237	430083159	/nfs/dbraw/zinc/08/31/59/430083159.db2.gz	MFKSAGLXPGOMDZ-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1c([N+](=O)[O-])ccc(SC(F)(F)F)c1CC(=O)[O-]	ZINC000575393527	430083223	/nfs/dbraw/zinc/08/32/23/430083223.db2.gz	FWYCXQQKZCMGHW-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc(Br)c([O-])c(I)c1	ZINC000005783913	303179146	/nfs/dbraw/zinc/17/91/46/303179146.db2.gz	WLQYCVYQRFCPSX-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cnc2ccccc2c1N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263566614	303213429	/nfs/dbraw/zinc/21/34/29/303213429.db2.gz	WSFSUNCXUAWOHF-SCLBCKFNSA-N	-1	0	307.353	2.798	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)cc(Br)c1CC(=O)[O-]	ZINC000514273008	398356899	/nfs/dbraw/zinc/35/68/99/398356899.db2.gz	MRBMROWCYKZLMO-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(Br)cc(C(F)(F)F)c1CC(=O)[O-]	ZINC000514272964	398356939	/nfs/dbraw/zinc/35/69/39/398356939.db2.gz	JRDGMMJOTJYVRW-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)c(CC(=O)[O-])cc1OC(F)F	ZINC000514275696	398356949	/nfs/dbraw/zinc/35/69/49/398356949.db2.gz	KQGUEYUAKHJDIV-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1cc(Br)cc(Br)c1C(=O)[O-]	ZINC000306618227	398508743	/nfs/dbraw/zinc/50/87/43/398508743.db2.gz	SDXQOFGGFCFVNT-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
N#Cc1cc(I)c(Cl)cc1C(=O)[O-]	ZINC000306608930	398509016	/nfs/dbraw/zinc/50/90/16/398509016.db2.gz	XIVVROHEOQZXOU-UHFFFAOYSA-N	-1	0	307.474	2.514	10	30		DFEERM
CC(C)c1cc(OCC(=O)[O-])nc(Nc2cccc(C#N)c2)n1	ZINC000073701021	191343903	/nfs/dbraw/zinc/34/39/03/191343903.db2.gz	YOCOJHRRLRINQM-UHFFFAOYSA-N	-1	0	312.329	2.679	10	30		DFEERM
CCC(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000005917632	181295840	/nfs/dbraw/zinc/29/58/40/181295840.db2.gz	LJUCSGJJLVOIGI-UHFFFAOYSA-N	-1	0	312.391	2.726	10	30		DFEERM
CCn1nc(C)c(C=NNc2ccc(C(=O)[O-])cc2OC)c1C	ZINC000606442294	399071691	/nfs/dbraw/zinc/07/16/91/399071691.db2.gz	YJHZTPGRSCNFND-UHFFFAOYSA-N	-1	0	316.361	2.673	10	30		DFEERM
Cc1cc(C#N)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000396135509	257103382	/nfs/dbraw/zinc/10/33/82/257103382.db2.gz	IOFCLTJVWAKBIK-AWEZNQCLSA-N	-1	0	318.373	2.696	10	30		DFEERM
CC[C@H](C)N(CC(=O)[O-])C(=O)CSCc1ccc(C#N)cc1	ZINC000262828226	146390927	/nfs/dbraw/zinc/39/09/27/146390927.db2.gz	YWGCTCSLYZIRGX-LBPRGKRZSA-N	-1	0	320.414	2.503	10	30		DFEERM
N#Cc1ccc(Br)c(OC(F)(F)F)c1C(=O)[O-]	ZINC000575383449	430080354	/nfs/dbraw/zinc/08/03/54/430080354.db2.gz	IKNHFKOJVJQZFI-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1c(Br)cc(C(F)(F)F)cc1CC(=O)[O-]	ZINC000575383725	430081203	/nfs/dbraw/zinc/08/12/03/430081203.db2.gz	IQHIWFQYAQCWQA-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)cc(OC(F)F)c1CC(=O)[O-]	ZINC000575387152	430081815	/nfs/dbraw/zinc/08/18/15/430081815.db2.gz	BDSXFBZSUQNLCH-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc([S-])c(OC(F)(F)F)c(C#N)c1	ZINC000575393341	430083210	/nfs/dbraw/zinc/08/32/10/430083210.db2.gz	SVNORYVWSSLXFA-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOC(=O)Cc1c(C#N)ccc([S-])c1OC(F)(F)F	ZINC000575393253	430083372	/nfs/dbraw/zinc/08/33/72/430083372.db2.gz	NIYRPNBSMXZXGV-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#CCc1cc(C#N)cc([S-])c1I	ZINC000575647810	430087003	/nfs/dbraw/zinc/08/70/03/430087003.db2.gz	KYJHXNNOVSOBKK-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#CCc1ccc(C#N)c(I)c1[S-]	ZINC000575648187	430087631	/nfs/dbraw/zinc/08/76/31/430087631.db2.gz	MFAMALPYIIWPLT-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
C#Cc1ccc(COC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000584653244	337381299	/nfs/dbraw/zinc/38/12/99/337381299.db2.gz	YDLKCTGMIYYVNS-KRWDZBQOSA-N	-1	0	323.348	2.590	10	30		DFEERM
C=CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)cc1	ZINC000263328636	341538489	/nfs/dbraw/zinc/53/84/89/341538489.db2.gz	KZXYEBAEUANVFQ-IUODEOHRSA-N	-1	0	303.358	2.577	10	30		DFEERM
O=C([O-])CCN(Cc1ccccc1)C(=O)C#Cc1ccccc1	ZINC000692409948	601278926	/nfs/dbraw/zinc/27/89/26/601278926.db2.gz	WGDSLAWKKISQOP-UHFFFAOYSA-N	-1	0	307.349	2.542	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c(SC(F)(F)F)c1[N+](=O)[O-]	ZINC000514276068	398356747	/nfs/dbraw/zinc/35/67/47/398356747.db2.gz	VYTAHKDUXXHNHU-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c(Br)c1C(F)(F)F	ZINC000514276012	398356773	/nfs/dbraw/zinc/35/67/73/398356773.db2.gz	PNTWZKLMVSSIRH-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
O=C([O-])[C@@H](O)c1c(C(F)(F)F)ccc(F)c1C(F)(F)F	ZINC000514282537	398357531	/nfs/dbraw/zinc/35/75/31/398357531.db2.gz	PZMRQOZHFXCMGX-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
O=C([O-])[C@H](O)c1c(C(F)(F)F)cc(F)cc1C(F)(F)F	ZINC000514282500	398357813	/nfs/dbraw/zinc/35/78/13/398357813.db2.gz	MMUOWJQTMHFIPB-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
C=C(CNc1cc(I)ccc1C)C(=O)[O-]	ZINC000300896704	398493937	/nfs/dbraw/zinc/49/39/37/398493937.db2.gz	CHORFSGPRZZNGB-UHFFFAOYSA-N	-1	0	317.126	2.652	10	30		DFEERM
N#Cc1ccccc1NC(=O)c1c[n-]c2c(F)cccc2c1=O	ZINC000041055667	183160176	/nfs/dbraw/zinc/16/01/76/183160176.db2.gz	NZSRSILERNQXGC-UHFFFAOYSA-N	-1	0	307.284	2.791	10	30		DFEERM
CC(C)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1	ZINC000183341947	158016086	/nfs/dbraw/zinc/01/60/86/158016086.db2.gz	NJBQYCDXZJJASG-UHFFFAOYSA-N	-1	0	324.793	2.859	10	30		DFEERM
FC(F)Oc1ccccc1C=Nn1c(=S)[n-]nc1C(F)F	ZINC000254873140	427225252	/nfs/dbraw/zinc/22/52/52/427225252.db2.gz	DUNBHPPHJRHDNC-UHFFFAOYSA-N	-1	0	320.271	2.988	10	30		DFEERM
N#CCc1cc([S-])c(C#N)cc1I	ZINC000575650588	430088379	/nfs/dbraw/zinc/08/83/79/430088379.db2.gz	YPGPEKFEXYTASF-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#Cc1cc(I)c(Br)cc1[O-]	ZINC000575690509	430093172	/nfs/dbraw/zinc/09/31/72/430093172.db2.gz	UBKBFFRRBVDPLS-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cc(I)cc(Br)c1[O-]	ZINC000575690605	430093337	/nfs/dbraw/zinc/09/33/37/430093337.db2.gz	ZCELPCRTGPYDER-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c([C@@H](O)C(=O)[O-])cc(C(F)(F)F)cc1C(F)(F)F	ZINC000575341246	430078857	/nfs/dbraw/zinc/07/88/57/430078857.db2.gz	PNQQWBFMXVWQSY-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1ccc(Br)c(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575383841	430081004	/nfs/dbraw/zinc/08/10/04/430081004.db2.gz	MQIDYUDUFRIDGG-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)c(CC(=O)[O-])cc1Br	ZINC000575383969	430081477	/nfs/dbraw/zinc/08/14/77/430081477.db2.gz	XAUONCHWHLYRGN-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(C(=O)[O-])c(Br)cc1OC(F)(F)F	ZINC000575383673	430081746	/nfs/dbraw/zinc/08/17/46/430081746.db2.gz	YHGFXMRZRXIJML-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1SC(F)(F)F	ZINC000575393856	430082634	/nfs/dbraw/zinc/08/26/34/430082634.db2.gz	LXWJHDDTSQERON-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#CCc1cc([S-])cc(I)c1C#N	ZINC000575649451	430087275	/nfs/dbraw/zinc/08/72/75/430087275.db2.gz	RUDYMIJGRSFHRO-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#CCc1cc([S-])c(I)cc1C#N	ZINC000575644562	430087281	/nfs/dbraw/zinc/08/72/81/430087281.db2.gz	BAVMMPHPTQCTAW-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
COc1ccc(C=CC([O-])=C2C(=O)c3ccccc3C2=O)cc1	ZINC000101429284	295053088	/nfs/dbraw/zinc/05/30/88/295053088.db2.gz	VOIZQEJFNCFGNP-FLIBITNWSA-N	-1	0	306.317	2.973	10	30		DFEERM
C[C@@H](C/C([O-])=N/Cc1cn2ccsc2n1)N1CCCCC1=O	ZINC000328717379	334750587	/nfs/dbraw/zinc/75/05/87/334750587.db2.gz	UODWSFGTBOWVGQ-NSHDSACASA-N	-1	0	320.418	2.643	10	30		DFEERM
C=CCOc1ccccc1CN1c2ccccc2/C(=N\[O-])C1=O	ZINC000096817304	185388808	/nfs/dbraw/zinc/38/88/08/185388808.db2.gz	HOHUXERHRNZHKI-HTXNQAPBSA-N	-1	0	308.337	2.977	10	30		DFEERM
N#Cc1c(CC(=O)[O-])ccc(Br)c1C(F)(F)F	ZINC000514275918	398356792	/nfs/dbraw/zinc/35/67/92/398356792.db2.gz	DVCFRRXFMIIDIX-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1ccc(C(F)(F)F)c(Br)c1CC(=O)[O-]	ZINC000514272999	398356816	/nfs/dbraw/zinc/35/68/16/398356816.db2.gz	MDFILLUNPVUOLI-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
O=C([O-])C#Cc1ccc(Br)cc1Br	ZINC000236421285	398361876	/nfs/dbraw/zinc/36/18/76/398361876.db2.gz	KHBKFYWPXITRNG-UHFFFAOYSA-N	-1	0	303.937	2.648	10	30		DFEERM
N#Cc1ccc(Br)c(C(=O)[O-])c1Br	ZINC000306554146	398508897	/nfs/dbraw/zinc/50/88/97/398508897.db2.gz	BZRTZTHUFKXDES-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
CCCc1cc(OCC(=O)[O-])nc(Nc2cccc(C#N)c2)n1	ZINC000073701014	191343761	/nfs/dbraw/zinc/34/37/61/191343761.db2.gz	WVSBQUWYLPTCEW-UHFFFAOYSA-N	-1	0	312.329	2.508	10	30		DFEERM
C=CCN(c1ccccc1)c1nc(CC)cc(OCC(=O)[O-])n1	ZINC000073698470	191344292	/nfs/dbraw/zinc/34/42/92/191344292.db2.gz	RVJZZPQTQKPZEZ-UHFFFAOYSA-N	-1	0	313.357	2.827	10	30		DFEERM
CCCCS(=O)(=O)[N-]c1cc(Br)ccc1C#N	ZINC000194715181	201277517	/nfs/dbraw/zinc/27/75/17/201277517.db2.gz	IFKHQMMVIMSLKN-UHFFFAOYSA-N	-1	0	317.208	2.863	10	30		DFEERM
N#Cc1ccc(I)c(Br)c1[O-]	ZINC000575690343	430092610	/nfs/dbraw/zinc/09/26/10/430092610.db2.gz	JXDAHLRRNUFLMU-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1ccc([O-])c(Br)c1I	ZINC000575690359	430092973	/nfs/dbraw/zinc/09/29/73/430092973.db2.gz	KTAFJOOCJKDOOK-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cc(Br)c([O-])cc1I	ZINC000575690590	430093391	/nfs/dbraw/zinc/09/33/91/430093391.db2.gz	YKDNXENBTUIZSH-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
CCOC(=O)Cc1cc([S-])cc(C#N)c1OC(F)(F)F	ZINC000575393050	430081120	/nfs/dbraw/zinc/08/11/20/430081120.db2.gz	CWVNZYJGKACAFU-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOC(=O)Cc1cc(C#N)c([S-])c(OC(F)(F)F)c1	ZINC000575392947	430081687	/nfs/dbraw/zinc/08/16/87/430081687.db2.gz	ACQQKMRVUNIOBV-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)c(Br)cc1C(=O)[O-]	ZINC000575383592	430081694	/nfs/dbraw/zinc/08/16/94/430081694.db2.gz	RKQKSINRRDCXLY-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c(Br)cc1CC(=O)[O-]	ZINC000575383989	430082024	/nfs/dbraw/zinc/08/20/24/430082024.db2.gz	YOKDZLIAXUXDAZ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c([N+](=O)[O-])c(SC(F)(F)F)c1	ZINC000575393851	430082646	/nfs/dbraw/zinc/08/26/46/430082646.db2.gz	LVCWJSUIXZWIMJ-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C#N)c2)cc1	ZINC000824654560	604844129	/nfs/dbraw/zinc/84/41/29/604844129.db2.gz	IPRSIDGKFCJIFA-MRXNPFEDSA-N	-1	0	324.336	2.513	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(Br)cc1C(F)(F)F	ZINC000514274752	398356823	/nfs/dbraw/zinc/35/68/23/398356823.db2.gz	KREHGNPSQCEZQQ-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1cc([C@H](O)C(=O)[O-])c(C(F)(F)F)cc1C(F)(F)F	ZINC000514282723	398357501	/nfs/dbraw/zinc/35/75/01/398357501.db2.gz	FFCREDIRQLVMOD-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1[C@H](O)C(=O)[O-]	ZINC000514282725	398357770	/nfs/dbraw/zinc/35/77/70/398357770.db2.gz	FHTBVTMWDHJMDS-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
O=C([O-])[C@@H](O)c1ccc(F)c(C(F)(F)F)c1C(F)(F)F	ZINC000514284379	398358123	/nfs/dbraw/zinc/35/81/23/398358123.db2.gz	GXSKVRFPHXADGI-ZETCQYMHSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(Br)ccc(Br)c1CC(=O)[O-]	ZINC000307429828	398511676	/nfs/dbraw/zinc/51/16/76/398511676.db2.gz	VRJPRQKLVMKSHX-UHFFFAOYSA-N	-1	0	318.952	2.710	10	30		DFEERM
Cc1ccc(S(=O)([O-])=NC(=O)N[C@H]2CCC[C@H](C)C2)cc1	ZINC000005929639	181297092	/nfs/dbraw/zinc/29/70/92/181297092.db2.gz	NSLVHBFTWIPGOD-STQMWFEESA-N	-1	0	310.419	2.766	10	30		DFEERM
COc1cc([O-])c(C(=O)/C=C\[C@H]2C=CC(OC)=CC2)c(O)c1	ZINC000140603834	398891402	/nfs/dbraw/zinc/89/14/02/398891402.db2.gz	ACZWGLRXRSHWST-OFSNVTPPSA-N	-1	0	302.326	2.952	10	30		DFEERM
CO/N=C/c1cc(Br)c([O-])c(Br)c1	ZINC000013586903	425757369	/nfs/dbraw/zinc/75/73/69/425757369.db2.gz	DGMARYAUWYNQJE-NYYWCZLTSA-N	-1	0	308.957	2.898	10	30		DFEERM
N#Cc1c(C(F)(F)F)cc([C@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC000575341291	430078667	/nfs/dbraw/zinc/07/86/67/430078667.db2.gz	SLIYRSVIIACULB-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1c(C(F)(F)F)ccc([C@H](O)C(=O)[O-])c1C(F)(F)F	ZINC000575380253	430079816	/nfs/dbraw/zinc/07/98/16/430079816.db2.gz	QITAICGNEYIEMG-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc(Br)c(CC(=O)[O-])c(OC(F)(F)F)c1	ZINC000575383427	430080279	/nfs/dbraw/zinc/08/02/79/430080279.db2.gz	FXXHSRMJENNQGV-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
O=C([O-])[C@H](O)c1c(F)c(C(F)(F)F)ccc1C(F)(F)F	ZINC000575381626	430080396	/nfs/dbraw/zinc/08/03/96/430080396.db2.gz	XLWCPMGQSZLVRY-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(OC(F)(F)F)ccc(Br)c1CC(=O)[O-]	ZINC000575383961	430081735	/nfs/dbraw/zinc/08/17/35/430081735.db2.gz	WLLRTCNTLZGQPF-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc(OC(F)F)c1OC(F)(F)F	ZINC000575387733	430082080	/nfs/dbraw/zinc/08/20/80/430082080.db2.gz	JMRZKAXXUDPRKU-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
C=C(C)CN(Cc1cnn(C(C)C)c1)c1cnc(C(=O)[O-])cn1	ZINC000263427674	337628767	/nfs/dbraw/zinc/62/87/67/337628767.db2.gz	RQYSHGRXFBQNHW-UHFFFAOYSA-N	-1	0	315.377	2.535	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])cc(C(F)(F)F)c1Br	ZINC000514274841	398356707	/nfs/dbraw/zinc/35/67/07/398356707.db2.gz	SLYCIHWGAPOOAY-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c(Br)c1OC(F)(F)F	ZINC000514275895	398356887	/nfs/dbraw/zinc/35/68/87/398356887.db2.gz	BZXJFWFBHISUOA-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1ccc(C(=O)[O-])c(Br)c1Br	ZINC000306612000	398508738	/nfs/dbraw/zinc/50/87/38/398508738.db2.gz	HRKVOJRROUPVPC-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
CCC[C@H](NC(=O)[C@@H](CS)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000034127130	398547594	/nfs/dbraw/zinc/54/75/94/398547594.db2.gz	UAHIFNHZNXTJOL-XBFCOCLRSA-N	-1	0	309.431	2.706	10	30		DFEERM
C=CCN(c1ccccc1)c1nc(C)c(C)c(OCC(=O)[O-])n1	ZINC000073698522	191343970	/nfs/dbraw/zinc/34/39/70/191343970.db2.gz	ICQRUTRIVFNVKG-UHFFFAOYSA-N	-1	0	313.357	2.881	10	30		DFEERM
CCn1cc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cn1	ZINC000606443379	399071558	/nfs/dbraw/zinc/07/15/58/399071558.db2.gz	JCPMDPUHXGTNIU-IZZDOVSWSA-N	-1	0	300.314	2.715	10	30		DFEERM
Cc1ccc(-c2nc(C#N)c(N3CCC(C(=O)[O-])CC3)o2)cc1	ZINC000040165726	183042893	/nfs/dbraw/zinc/04/28/93/183042893.db2.gz	JCJZPWYDKWOUSO-UHFFFAOYSA-N	-1	0	311.341	2.823	10	30		DFEERM
COc1ccc(OC)c(C#Cc2ccc(OC)c(C(=O)[O-])c2)c1	ZINC000013518053	425755739	/nfs/dbraw/zinc/75/57/39/425755739.db2.gz	AQCJRZFATWXCAX-UHFFFAOYSA-N	-1	0	312.321	2.810	10	30		DFEERM
N#Cc1ccc(I)c([O-])c1Br	ZINC000575690234	430092422	/nfs/dbraw/zinc/09/24/22/430092422.db2.gz	CZMBBDIPYYDVIL-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1[C@@H](O)C(=O)[O-]	ZINC000575340925	430078407	/nfs/dbraw/zinc/07/84/07/430078407.db2.gz	GKQOGPUXPGHFOO-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1ccc([C@H](O)C(=O)[O-])c(C(F)(F)F)c1C(F)(F)F	ZINC000575380128	430080360	/nfs/dbraw/zinc/08/03/60/430080360.db2.gz	OPUNTGLHSRZUFC-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1c(C(F)(F)F)ccc([C@@H](O)C(=O)[O-])c1C(F)(F)F	ZINC000575380249	430080435	/nfs/dbraw/zinc/08/04/35/430080435.db2.gz	QITAICGNEYIEMG-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
CCOC(=O)Cc1ccc(SC(F)(F)F)c([O-])c1C#N	ZINC000575391570	430081166	/nfs/dbraw/zinc/08/11/66/430081166.db2.gz	AOJNXJWDEDOIQJ-UHFFFAOYSA-N	-1	0	305.277	2.981	10	30		DFEERM
N#Cc1c(CC(=O)[O-])cc(Br)cc1OC(F)(F)F	ZINC000575383804	430081332	/nfs/dbraw/zinc/08/13/32/430081332.db2.gz	KTKLDNAIYPANCE-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1c(Br)ccc(OC(F)(F)F)c1C(=O)[O-]	ZINC000575383619	430081530	/nfs/dbraw/zinc/08/15/30/430081530.db2.gz	SYRXWBZJCXPOSU-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(OC(F)(F)F)c(OC(F)F)c1	ZINC000575387284	430081542	/nfs/dbraw/zinc/08/15/42/430081542.db2.gz	HGJQIWHPOVQYEL-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc([S-])c(C#N)c(OC(F)(F)F)c1	ZINC000575393221	430083012	/nfs/dbraw/zinc/08/30/12/430083012.db2.gz	LHIUOACLRORTJQ-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
C=CCN(CC(F)(F)F)C(=O)c1cc(C(=O)[O-])c(CC)o1	ZINC000261701479	337608819	/nfs/dbraw/zinc/60/88/19/337608819.db2.gz	TXXOVYCFTQRPKQ-UHFFFAOYSA-N	-1	0	305.252	2.731	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1SC(F)(F)F	ZINC000514276080	398356722	/nfs/dbraw/zinc/35/67/22/398356722.db2.gz	XMBPMROEEXXSCS-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1ccc(OC(F)(F)F)c(CC(=O)[O-])c1Br	ZINC000514274070	398356728	/nfs/dbraw/zinc/35/67/28/398356728.db2.gz	JPVQUONALDWMGT-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(OC(F)F)cc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000514274224	398356900	/nfs/dbraw/zinc/35/69/00/398356900.db2.gz	RWPJRQNWESMHCH-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)c(Br)c(C(=O)[O-])c1	ZINC000514272026	398356965	/nfs/dbraw/zinc/35/69/65/398356965.db2.gz	SGZXYXLZGHXXPF-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc(OC(F)(F)F)cc(C(=O)[O-])c1Br	ZINC000514272137	398357028	/nfs/dbraw/zinc/35/70/28/398357028.db2.gz	CPCVMLUWURBMPH-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
N#Cc1cc([C@@H](O)C(=O)[O-])c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000514283024	398357573	/nfs/dbraw/zinc/35/75/73/398357573.db2.gz	SMQGKBHGJYGGMK-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
O=C([O-])CCCCCO/N=C(\c1ccccc1)c1cncnc1	ZINC000027326057	398461107	/nfs/dbraw/zinc/46/11/07/398461107.db2.gz	MAMGSMDPBKTNTA-LVZFUZTISA-N	-1	0	313.357	2.891	10	30		DFEERM
O=C([O-])c1cc(NN=Cc2ccc([N+](=O)[O-])o2)ccc1Cl	ZINC000005504722	181250502	/nfs/dbraw/zinc/25/05/02/181250502.db2.gz	ZVWIDRXGUQRMLT-MKMNVTDBSA-N	-1	0	309.665	2.985	10	30		DFEERM
N#Cc1c([O-])c(Br)ccc1I	ZINC000575690521	430092256	/nfs/dbraw/zinc/09/22/56/430092256.db2.gz	UUOGFEJYUGXIAQ-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c(Br)cc([O-])cc1I	ZINC000575690524	430092851	/nfs/dbraw/zinc/09/28/51/430092851.db2.gz	VEIJTGWLECHXBW-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cc([O-])cc(Br)c1I	ZINC000575690468	430093103	/nfs/dbraw/zinc/09/31/03/430093103.db2.gz	RDRKYMHLHISKRB-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
O=C([O-])[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1F	ZINC000575339798	430078737	/nfs/dbraw/zinc/07/87/37/430078737.db2.gz	BZIRVGQMHPUGRO-SSDOTTSWSA-N	-1	0	306.133	2.981	10	30		DFEERM
N#Cc1c(Br)c(OC(F)(F)F)ccc1C(=O)[O-]	ZINC000575383572	430079531	/nfs/dbraw/zinc/07/95/31/430079531.db2.gz	OXTLVEKWWFTJAZ-UHFFFAOYSA-N	-1	0	310.025	2.918	10	30		DFEERM
CCOC(=O)Cc1c([S-])ccc(OC(F)(F)F)c1C#N	ZINC000575393236	430082825	/nfs/dbraw/zinc/08/28/25/430082825.db2.gz	MEELXEQZVCEEFG-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(SC(F)(F)F)cc1[N+](=O)[O-]	ZINC000575393784	430083352	/nfs/dbraw/zinc/08/33/52/430083352.db2.gz	JKFYYDJCJYTEQD-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CC/C(C#C[C@](O)(c1ccccc1)C1(C#N)CCC1)=C/C(=O)[O-]	ZINC000584626254	337376050	/nfs/dbraw/zinc/37/60/50/337376050.db2.gz	JOTOBGRQDUDPJY-ZDRDQBANSA-N	-1	0	309.365	2.992	10	30		DFEERM
C[C@@H](CN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)[O-]	ZINC000263454094	337629702	/nfs/dbraw/zinc/62/97/02/337629702.db2.gz	BKVMRQLXTIWAED-NSHDSACASA-N	-1	0	303.362	2.672	10	30		DFEERM
N#Cc1c(OC(F)F)ccc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000514274367	398356740	/nfs/dbraw/zinc/35/67/40/398356740.db2.gz	ZOUWUGWQSZWKFP-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
N#Cc1c(CC(=O)[O-])ccc([N+](=O)[O-])c1SC(F)(F)F	ZINC000514276576	398356808	/nfs/dbraw/zinc/35/68/08/398356808.db2.gz	YFSHLPAEVCXRMM-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
CC(=O)C(=Cc1ccc(OCC(=O)[O-])c2ccccc12)C(C)=O	ZINC000169340596	197743304	/nfs/dbraw/zinc/74/33/04/197743304.db2.gz	ZGVJIXSAOMCSEJ-UHFFFAOYSA-N	-1	0	312.321	2.865	10	30		DFEERM
CCOc1ccccc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000003441418	181020071	/nfs/dbraw/zinc/02/00/71/181020071.db2.gz	HQRLQTQXUVEGMD-APSNUPSMSA-N	-1	0	316.308	2.867	10	30		DFEERM
Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1C#N	ZINC000113740142	398741019	/nfs/dbraw/zinc/74/10/19/398741019.db2.gz	BRRZDODFQRBOMB-UHFFFAOYSA-N	-1	0	303.321	2.961	10	30		DFEERM
COc1cc(C=NNc2ccccc2)ccc1OCC(=O)[O-]	ZINC000005512816	181251854	/nfs/dbraw/zinc/25/18/54/181251854.db2.gz	JZWVEIODNJERPW-LICLKQGHSA-N	-1	0	300.314	2.605	10	30		DFEERM
Cc1ccc(C=NNc2nnc(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000005612266	181263465	/nfs/dbraw/zinc/26/34/65/181263465.db2.gz	KBFDXRGUMZFCHK-WOJGMQOQSA-N	-1	0	305.341	2.586	10	30		DFEERM
N#Cc1nc(-c2cccc(F)c2)oc1N1CCC(C(=O)[O-])CC1	ZINC000040165735	183042870	/nfs/dbraw/zinc/04/28/70/183042870.db2.gz	PEFODYMCSQZSKV-UHFFFAOYSA-N	-1	0	315.304	2.653	10	30		DFEERM
O=C([O-])c1ccc(/C=N/NC(=S)NC2CCCCC2)cc1	ZINC000003283672	304232161	/nfs/dbraw/zinc/23/21/61/304232161.db2.gz	UHEWKBSYFIQXOV-MHWRWJLKSA-N	-1	0	305.403	2.516	10	30		DFEERM
CCOC(=O)c1c(C)nsc1[N-]N=C(C#N)C(=O)C(C)(C)C	ZINC000000126523	425539340	/nfs/dbraw/zinc/53/93/40/425539340.db2.gz	PWLNPXMNGCRRRT-CXUHLZMHSA-N	-1	0	322.390	2.535	10	30		DFEERM
COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000095935756	426375453	/nfs/dbraw/zinc/37/54/53/426375453.db2.gz	QCFSMXATTZGSCP-SXGWCWSVSA-N	-1	0	300.270	2.838	10	30		DFEERM
CCOC(=O)c1c(C)nsc1[N-]N=C(C#N)C(=O)C(C)(C)C	ZINC000100217888	426481661	/nfs/dbraw/zinc/48/16/61/426481661.db2.gz	PWLNPXMNGCRRRT-SXGWCWSVSA-N	-1	0	322.390	2.535	10	30		DFEERM
COc1cccc(/C=N/[O-])c1OS(=O)(=O)c1ccc(C)cc1	ZINC000253568263	427217637	/nfs/dbraw/zinc/21/76/37/427217637.db2.gz	KZKUEAXOLMSUTR-MHWRWJLKSA-N	-1	0	321.354	2.579	10	30		DFEERM
N#Cc1c(Br)ccc(C(F)(F)F)c1CC(=O)[O-]	ZINC000575383964	430080995	/nfs/dbraw/zinc/08/09/95/430080995.db2.gz	WNMBJRGGQYZRJX-UHFFFAOYSA-N	-1	0	308.053	2.967	10	30		DFEERM
CCOC(=O)Cc1c(OC(F)(F)F)ccc([S-])c1C#N	ZINC000575393045	430081046	/nfs/dbraw/zinc/08/10/46/430081046.db2.gz	CVLPLRUPFHMQMQ-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#Cc1ccc(CC(=O)[O-])c(OC(F)(F)F)c1Br	ZINC000575383648	430081298	/nfs/dbraw/zinc/08/12/98/430081298.db2.gz	WCTYBXMOKCQUNP-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1c(CC(=O)[O-])ccc(OC(F)(F)F)c1Br	ZINC000575383596	430081459	/nfs/dbraw/zinc/08/14/59/430081459.db2.gz	SCISMZWPPZPUAA-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1cc(CC(=O)[O-])c(OC(F)F)cc1OC(F)(F)F	ZINC000575387246	430082043	/nfs/dbraw/zinc/08/20/43/430082043.db2.gz	FMJDMWBQDCWSDF-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc(OC(F)(F)F)cc([S-])c1C#N	ZINC000575393228	430082319	/nfs/dbraw/zinc/08/23/19/430082319.db2.gz	LWSATXOWBPKXFZ-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOC(=O)Cc1cc(C#N)c([S-])cc1OC(F)(F)F	ZINC000575393312	430082666	/nfs/dbraw/zinc/08/26/66/430082666.db2.gz	RDXATSJHXURWCT-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
N#CCc1cc(I)c(C#N)cc1[S-]	ZINC000575644676	430087156	/nfs/dbraw/zinc/08/71/56/430087156.db2.gz	BUXGAHUMNYSIQO-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
C=CCC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC000262990067	331754899	/nfs/dbraw/zinc/75/48/99/331754899.db2.gz	VDFBJEDBYVQYGM-DCAQKATOSA-N	-1	0	307.312	2.891	10	30		DFEERM
N#CC1([C@](O)(C#Cc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1	ZINC000584598229	337374534	/nfs/dbraw/zinc/37/45/34/337374534.db2.gz	JKFNNOJOLARSPF-FQEVSTJZSA-N	-1	0	317.344	2.928	10	30		DFEERM
N#Cc1c(SC(F)(F)F)cc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000514275849	398356853	/nfs/dbraw/zinc/35/68/53/398356853.db2.gz	YETLWSAXALTIKE-UHFFFAOYSA-N	-1	0	306.221	2.705	10	30		DFEERM
N#Cc1cc(C(F)(F)F)c([C@H](O)C(=O)[O-])c(C(F)(F)F)c1	ZINC000514282563	398357730	/nfs/dbraw/zinc/35/77/30/398357730.db2.gz	SABQLQLZMJVSSW-QMMMGPOBSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@@H](O)C(=O)[O-]	ZINC000514282395	398357765	/nfs/dbraw/zinc/35/77/65/398357765.db2.gz	CDBSUFUTICJJEK-MRVPVSSYSA-N	-1	0	313.153	2.714	10	30		DFEERM
N#Cc1cc(Br)c(Br)cc1C(=O)[O-]	ZINC000307266687	398510996	/nfs/dbraw/zinc/51/09/96/398510996.db2.gz	HDKHAPJWPYWANM-UHFFFAOYSA-N	-1	0	304.925	2.781	10	30		DFEERM
O=C([O-])c1ccc(N=NC=CCc2ccc([N+](=O)[O-])o2)cc1	ZINC000003180187	180988642	/nfs/dbraw/zinc/98/86/42/180988642.db2.gz	JBJXFVMXTOQXQK-WBTNUNKFSA-N	-1	0	301.258	2.997	10	30		DFEERM
CCC[C@@](C)(NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000236953322	202091886	/nfs/dbraw/zinc/09/18/86/202091886.db2.gz	VJBPQPQKFSCZQX-MRXNPFEDSA-N	-1	0	320.414	2.551	10	30		DFEERM
COc1cc([O-])c(C(=O)/C=C\[C@@H]2C=CC(OC)=CC2)c(O)c1	ZINC000140604140	398891378	/nfs/dbraw/zinc/89/13/78/398891378.db2.gz	ACZWGLRXRSHWST-UIJKISKDSA-N	-1	0	302.326	2.952	10	30		DFEERM
CCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1O	ZINC000006673789	181369476	/nfs/dbraw/zinc/36/94/76/181369476.db2.gz	JNGWKIWDKMECPB-LICLKQGHSA-N	-1	0	300.314	2.935	10	30		DFEERM
N#CCc1cc(I)c([S-])c(C#N)c1	ZINC000575650702	430088868	/nfs/dbraw/zinc/08/88/68/430088868.db2.gz	ZIJSALNHMOKBQU-UHFFFAOYSA-N	-1	0	300.124	2.518	10	30		DFEERM
N#Cc1cc(I)c([O-])cc1Br	ZINC000575690522	430092574	/nfs/dbraw/zinc/09/25/74/430092574.db2.gz	UVSAOFPYKBVBRI-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1cc([O-])c(I)cc1Br	ZINC000575690191	430093221	/nfs/dbraw/zinc/09/32/21/430093221.db2.gz	BASNUIFLCXHWTH-UHFFFAOYSA-N	-1	0	323.915	2.631	10	30		DFEERM
N#Cc1c(Br)cc(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000575383660	430080949	/nfs/dbraw/zinc/08/09/49/430080949.db2.gz	XLAQEBZNJSAMFV-UHFFFAOYSA-N	-1	0	324.052	2.846	10	30		DFEERM
N#Cc1c(CC(=O)[O-])ccc(OC(F)F)c1OC(F)(F)F	ZINC000575388282	430081250	/nfs/dbraw/zinc/08/12/50/430081250.db2.gz	RJSCUALKJRYRKX-UHFFFAOYSA-N	-1	0	311.162	2.685	10	30		DFEERM
CCOC(=O)Cc1cc([S-])c(C#N)cc1OC(F)(F)F	ZINC000575393587	430082355	/nfs/dbraw/zinc/08/23/55/430082355.db2.gz	XEXMTHJEVJUMLP-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM
CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1[S-]	ZINC000575393625	430082640	/nfs/dbraw/zinc/08/26/40/430082640.db2.gz	ZGMUWKSKFFJIBX-UHFFFAOYSA-N	-1	0	305.277	2.851	10	30		DFEERM