smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2ccc(C#N)c(=O)[n-]2)o1	ZINC000031816032	178322884	/nfs/dbraw/zinc/32/28/84/178322884.db2.gz	CKOIVSBLEAPCBE-UHFFFAOYSA-N	-1	0	200.197	1.815	50	30		BDEARM
O=C([O-])c1ccc(/N=C2\NC(=O)CS2)cc1	ZINC000002784262	342727394	/nfs/dbraw/zinc/72/73/94/342727394.db2.gz	REVPDQKARBLVRT-UHFFFAOYSA-N	-1	0	236.252	1.235	50	30		BDEARM
N#Cc1cccc(-c2cc(C(=O)[O-])no2)c1	ZINC000090567813	398302280	/nfs/dbraw/zinc/30/22/80/398302280.db2.gz	WOBMZDOJEBOCCU-UHFFFAOYSA-N	-1	0	214.180	1.911	50	30		BDEARM
Cc1nc(C(F)(F)F)[n-]c(=O)c1C#N	ZINC000019926634	342963633	/nfs/dbraw/zinc/96/36/33/342963633.db2.gz	HPVLUPKELYUEGD-UHFFFAOYSA-N	-1	0	203.123	1.381	50	30		BDEARM
C=CCn1c(=O)c2ccccc2cc1C(=O)[O-]	ZINC000011692948	187249259	/nfs/dbraw/zinc/24/92/59/187249259.db2.gz	BGIDGQAFKMVMQZ-UHFFFAOYSA-N	-1	0	229.235	1.886	50	30		BDEARM
C=C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000044857530	187355041	/nfs/dbraw/zinc/35/50/41/187355041.db2.gz	RFAQWADNTLIWMG-CPCISQLKSA-N	-1	0	227.260	1.540	50	30		BDEARM
CC(=O)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000100068125	187290737	/nfs/dbraw/zinc/29/07/37/187290737.db2.gz	UWYXIAWYMDVVGK-FMIVXFBMSA-N	-1	0	206.201	1.044	50	30		BDEARM
C=CCOC(=O)[C@H](CC(=O)[O-])c1ccccc1	ZINC000096179328	187362405	/nfs/dbraw/zinc/36/24/05/187362405.db2.gz	CMNDWLHGOLOEAA-LLVKDONJSA-N	-1	0	234.251	1.974	50	30		BDEARM
C=C[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000034116740	187884941	/nfs/dbraw/zinc/88/49/41/187884941.db2.gz	AQTGANYMYTZCKP-ZETCQYMHSA-N	-1	0	215.249	1.540	50	30		BDEARM
C=CCc1c(O)nc2n(c1=O)CCCS2	ZINC000017242557	188000699	/nfs/dbraw/zinc/00/06/99/188000699.db2.gz	PZQMRPUODROMET-UHFFFAOYSA-N	-1	0	224.285	1.173	50	30		BDEARM
C#Cc1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000031829981	188010250	/nfs/dbraw/zinc/01/02/50/188010250.db2.gz	KYXCLGDXZKCWBH-SREVYHEPSA-N	-1	0	215.208	1.247	50	30		BDEARM
N#Cc1c([N+](=O)[O-])ccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000065336748	181078902	/nfs/dbraw/zinc/07/89/02/181078902.db2.gz	PAQNTWFJEWOKAE-UHFFFAOYSA-N	-1	0	237.127	1.073	50	30		BDEARM
N#Cc1cc(O)c(C(=O)[O-])c(Br)c1	ZINC000263623362	181091797	/nfs/dbraw/zinc/09/17/97/181091797.db2.gz	GUGYTPPBEBMQAL-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1ccc(N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000062132898	181116079	/nfs/dbraw/zinc/11/60/79/181116079.db2.gz	OKLSAKLXOGFNEW-SECBINFHSA-N	-1	0	234.230	1.608	50	30		BDEARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc[nH]n1	ZINC000035074032	355771212	/nfs/dbraw/zinc/77/12/12/355771212.db2.gz	MQTDUWUYHTUVJA-RNFRBKRXSA-N	-1	0	236.231	1.060	50	30		BDEARM
C=CC[C@@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000262948354	166432087	/nfs/dbraw/zinc/43/20/87/166432087.db2.gz	OHSZXCHJKYAHMS-GMTAPVOTSA-N	-1	0	239.315	1.958	50	30		BDEARM
O=C1c2ccc(O)cc2O/C1=C\N1CCOCC1	ZINC000011764815	370750859	/nfs/dbraw/zinc/75/08/59/370750859.db2.gz	VQXGNHJNUZESIP-WQLSENKSSA-N	-1	0	247.250	1.141	50	30		BDEARM
COc1cc(Cl)cc(C#N)c1OCC(=O)[O-]	ZINC000004258163	372184888	/nfs/dbraw/zinc/18/48/88/372184888.db2.gz	QFYALWVFZQGBBD-UHFFFAOYSA-N	-1	0	241.630	1.684	50	30		BDEARM
O=C([O-])C=NN=c1[nH]c2ccccc2s1	ZINC000067317231	182415448	/nfs/dbraw/zinc/41/54/48/182415448.db2.gz	XKBGWWXWCVFVDD-BJMVGYQFSA-N	-1	0	221.241	1.779	50	30		BDEARM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCOC2)c1	ZINC000096450039	385172656	/nfs/dbraw/zinc/17/26/56/385172656.db2.gz	KXYKYQMBMDORKR-VIFPVBQESA-N	-1	0	232.239	1.239	50	30		BDEARM
CC[C@H](CC#N)NC(=O)c1ccc(F)cc1[O-]	ZINC000183913264	386068008	/nfs/dbraw/zinc/06/80/08/386068008.db2.gz	LTGLXMLNUKCFJA-SECBINFHSA-N	-1	0	236.246	1.953	50	30		BDEARM
C=CCOc1ccc(Cl)c(C(=O)[O-])n1	ZINC000026514115	387025087	/nfs/dbraw/zinc/02/50/87/387025087.db2.gz	KAFUFUYCQKEHRG-UHFFFAOYSA-N	-1	0	213.620	1.998	50	30		BDEARM
CC(C)(C)OC(=O)N1CC[C@@](C#N)(C(=O)[O-])C1	ZINC000238105339	387027551	/nfs/dbraw/zinc/02/75/51/387027551.db2.gz	HCNPLTDBJWRSOX-NSHDSACASA-N	-1	0	240.259	1.222	50	30		BDEARM
CS(=O)(=O)[N-]c1ccc(F)cc1C#N	ZINC000115033045	388688156	/nfs/dbraw/zinc/68/81/56/388688156.db2.gz	DVCABYNLYQRPFX-UHFFFAOYSA-N	-1	0	214.221	1.069	50	30		BDEARM
N#Cc1ccccc1N1CCC(C(=O)[O-])CC1	ZINC000008729996	132319133	/nfs/dbraw/zinc/31/91/33/132319133.db2.gz	UPPMSPCFXVKLNW-UHFFFAOYSA-N	-1	0	230.267	1.859	50	30		BDEARM
N#Cc1cc(F)ccc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000015443578	132323075	/nfs/dbraw/zinc/32/30/75/132323075.db2.gz	KTEZCPOWVJAFMP-SECBINFHSA-N	-1	0	248.257	1.998	50	30		BDEARM
C#CC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCCC1	ZINC000004109896	166114444	/nfs/dbraw/zinc/11/44/44/166114444.db2.gz	PZDVIJAXMIWGMM-VHSXEESVSA-N	-1	0	235.283	1.159	50	30		BDEARM
CCn1c2ccccc2nc1/C(C#N)=N/[O-]	ZINC000096316538	172130491	/nfs/dbraw/zinc/13/04/91/172130491.db2.gz	FNQGBDAGOWMUND-NTEUORMPSA-N	-1	0	214.228	1.758	50	30		BDEARM
COC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000000258177	173666212	/nfs/dbraw/zinc/66/62/12/173666212.db2.gz	SBKXSFJHCGQDMW-JTQLQIEISA-N	-1	0	233.223	1.191	50	30		BDEARM
COc1ccc(/C=N\[O-])c([N+](=O)[O-])c1OC	ZINC000032004914	175049773	/nfs/dbraw/zinc/04/97/73/175049773.db2.gz	QXLBIDNPMWUJHN-YHYXMXQVSA-N	-1	0	226.188	1.420	50	30		BDEARM
CC1(C#N)CCN(Cc2c[nH]nc2C(=O)[O-])CC1	ZINC000670446880	487497046	/nfs/dbraw/zinc/49/70/46/487497046.db2.gz	VXBHKPTYWGNDQB-UHFFFAOYSA-N	-1	0	248.286	1.234	50	30		BDEARM
CCOc1ccccc1C(=O)[N-]S(C)(=O)=O	ZINC000048478809	491082653	/nfs/dbraw/zinc/08/26/53/491082653.db2.gz	OFIOCYMEDJWQMX-UHFFFAOYSA-N	-1	0	243.284	1.350	50	30		BDEARM
CC(=O)C(=NNc1ccc(C(=O)[O-])cc1)C(C)=O	ZINC000000549189	342690064	/nfs/dbraw/zinc/69/00/64/342690064.db2.gz	QEOWQGBNFSVKIJ-UHFFFAOYSA-N	-1	0	248.238	1.331	50	30		BDEARM
CNc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000008970595	398306855	/nfs/dbraw/zinc/30/68/55/398306855.db2.gz	JXFBVECHBDPZSK-UHFFFAOYSA-N	-1	0	221.241	1.209	50	30		BDEARM
C#CCCCOc1ncccc1C(=O)[O-]	ZINC000263625023	187234149	/nfs/dbraw/zinc/23/41/49/187234149.db2.gz	WBVWLQFIPBZIQV-UHFFFAOYSA-N	-1	0	205.213	1.572	50	30		BDEARM
CC(N=Nc1nnn[n-]1)c1c[nH]c2ccccc12	ZINC000004785747	187248042	/nfs/dbraw/zinc/24/80/42/187248042.db2.gz	PYOWRQCKXZIXER-NTUHNPAUSA-N	-1	0	241.258	1.517	50	30		BDEARM
CCOc1cc(C#N)ccc1O[C@H](C)C(=O)[O-]	ZINC000012954419	187250541	/nfs/dbraw/zinc/25/05/41/187250541.db2.gz	OUZNVOXZHXJSLE-MRVPVSSYSA-N	-1	0	235.239	1.809	50	30		BDEARM
C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC000004691264	343963979	/nfs/dbraw/zinc/96/39/79/343963979.db2.gz	GLYNVMFRDBZYAJ-SECBINFHSA-N	-1	0	246.266	1.998	50	30		BDEARM
CC(=O)Nc1ccc(C(=O)/C=C/N(C)C)c([O-])c1	ZINC000023127143	344108195	/nfs/dbraw/zinc/10/81/95/344108195.db2.gz	ZRLJCUGVVOSVKU-VOTSOKGWSA-N	-1	0	248.282	1.609	50	30		BDEARM
CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000048423020	187294197	/nfs/dbraw/zinc/29/41/97/187294197.db2.gz	CUQSQUHHFLEMRA-UHFFFAOYSA-N	-1	0	244.228	1.260	50	30		BDEARM
N#Cc1cc(C(F)(F)F)ccc1C(=O)C(=O)[O-]	ZINC000725262045	538087924	/nfs/dbraw/zinc/08/79/24/538087924.db2.gz	SVUYOFQMIWPTAB-UHFFFAOYSA-N	-1	0	243.140	1.844	50	30		BDEARM
Cc1nnc(C)n1/N=C/c1ccc(C(=O)[O-])cc1	ZINC000004951475	180399815	/nfs/dbraw/zinc/39/98/15/180399815.db2.gz	AVCABEZIPUDTIA-NTUHNPAUSA-N	-1	0	244.254	1.475	50	30		BDEARM
CC1=C([O-])C(=O)C(=Cc2ccco2)C1=O	ZINC000211050337	350948668	/nfs/dbraw/zinc/94/86/68/350948668.db2.gz	FGPNBNSPPPWJHF-ZQOTZMJXSA-N	-1	0	204.181	1.020	50	30		BDEARM
N#CCCCOc1ccc(CC(=O)[O-])cc1	ZINC000019843625	187935330	/nfs/dbraw/zinc/93/53/30/187935330.db2.gz	BPRQDQVRHMVLRF-UHFFFAOYSA-N	-1	0	219.240	1.996	50	30		BDEARM
C#CCOc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000002597290	187985965	/nfs/dbraw/zinc/98/59/65/187985965.db2.gz	BJMVRUIGQYIBKW-FNORWQNLSA-N	-1	0	232.235	1.805	50	30		BDEARM
C=C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000038867372	188007855	/nfs/dbraw/zinc/00/78/55/188007855.db2.gz	AQTGANYMYTZCKP-SSDOTTSWSA-N	-1	0	215.249	1.540	50	30		BDEARM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CCCO2)c1	ZINC000096450055	188016861	/nfs/dbraw/zinc/01/68/61/188016861.db2.gz	DATXSEBLQJRFQL-JTQLQIEISA-N	-1	0	246.266	1.771	50	30		BDEARM
CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000001322834	353138847	/nfs/dbraw/zinc/13/88/47/353138847.db2.gz	KLCDMPUOMLOKPB-UHFFFAOYSA-N	-1	0	244.250	1.198	50	30		BDEARM
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1ccccc1	ZINC000004714743	181072708	/nfs/dbraw/zinc/07/27/08/181072708.db2.gz	WEHVDNFYECTOQI-UHFFFAOYSA-N	-1	0	213.196	1.014	50	30		BDEARM
N#Cc1cc2c(nc1SCC(=O)[O-])CCC2	ZINC000000086906	181093698	/nfs/dbraw/zinc/09/36/98/181093698.db2.gz	OQWUGRYMRCDWMR-UHFFFAOYSA-N	-1	0	234.280	1.619	50	30		BDEARM
N#Cc1cnn2c1nc(C1CC1)cc2C(=O)[O-]	ZINC000013645094	181165608	/nfs/dbraw/zinc/16/56/08/181165608.db2.gz	BVQSECVHYYXJEU-UHFFFAOYSA-N	-1	0	228.211	1.177	50	30		BDEARM
N#Cc1nc(NC(=O)c2cccs2)[n-]c1C#N	ZINC000000572766	181168407	/nfs/dbraw/zinc/16/84/07/181168407.db2.gz	AUECLPGMEAAKRH-UHFFFAOYSA-N	-1	0	243.251	1.467	50	30		BDEARM
CC(=NOCC(=O)[O-])c1ccc2c(c1)OCO2	ZINC000252497894	363451056	/nfs/dbraw/zinc/45/10/56/363451056.db2.gz	HEHGIGQYINOBGR-UHFFFAOYSA-N	-1	0	237.211	1.241	50	30		BDEARM
COC(=O)c1cc2cc(C=NN(C)C)oc2[n-]1	ZINC000252625022	364296180	/nfs/dbraw/zinc/29/61/80/364296180.db2.gz	QBEQDEOSFHQRDZ-UHFFFAOYSA-N	-1	0	235.243	1.443	50	30		BDEARM
COCc1[n-]c(=O)c(C#N)c(C)c1Cl	ZINC000000389249	369385197	/nfs/dbraw/zinc/38/51/97/369385197.db2.gz	SKGZIIZPKMMIGO-UHFFFAOYSA-N	-1	0	212.636	1.355	50	30		BDEARM
O=c1cn[n-]c(N/N=C/CCc2ccccc2)n1	ZINC000003945083	183007391	/nfs/dbraw/zinc/00/73/91/183007391.db2.gz	OSPRDZXLYUSFPW-MDWZMJQESA-N	-1	0	243.270	1.195	50	30		BDEARM
O=C([O-])[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000097439035	384519682	/nfs/dbraw/zinc/51/96/82/384519682.db2.gz	IJSPOBHLFLGFMQ-UWTATZPHSA-N	-1	0	242.046	1.630	50	30		BDEARM
CC(C)(C)OC(=O)N1CC[C@](C#N)(C(=O)[O-])C1	ZINC000238114364	387027688	/nfs/dbraw/zinc/02/76/88/387027688.db2.gz	HCNPLTDBJWRSOX-LLVKDONJSA-N	-1	0	240.259	1.222	50	30		BDEARM
C[C@@H](CC#N)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000096012403	388803123	/nfs/dbraw/zinc/80/31/23/388803123.db2.gz	AIVWQSWOUJKROC-ZETCQYMHSA-N	-1	0	249.226	1.332	50	30		BDEARM
CC1(C)CCC(=O)C2=C1C(=O)C[C@H]2CC(=O)[O-]	ZINC000019908294	322831159	/nfs/dbraw/zinc/83/11/59/322831159.db2.gz	ONJVZUQGBSNDBS-ZETCQYMHSA-N	-1	0	236.267	1.736	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C)n1C	ZINC000092462186	166326816	/nfs/dbraw/zinc/32/68/16/166326816.db2.gz	FYPFSBPLFRDXQV-UHFFFAOYSA-N	-1	0	236.271	1.046	50	30		BDEARM
CCOC(=O)C(Cl)=N[N-]c1nccs1	ZINC000097957433	170182167	/nfs/dbraw/zinc/18/21/67/170182167.db2.gz	ACVQAUVOTADDEL-YHYXMXQVSA-N	-1	0	233.680	1.092	50	30		BDEARM
CCOC(=O)C=C([O-])c1ccc(C#N)cc1	ZINC000004253991	170197581	/nfs/dbraw/zinc/19/75/81/170197581.db2.gz	ITKQVWKZLCNILF-UHFFFAOYSA-N	-1	0	217.224	1.694	50	30		BDEARM
CCOC(=O)c1c(Cl)c(C)[n-]c(=O)c1C#N	ZINC000017111449	170288229	/nfs/dbraw/zinc/28/82/29/170288229.db2.gz	AYCZUBANXIZXGI-UHFFFAOYSA-N	-1	0	240.646	1.797	50	30		BDEARM
COc1ccc2c(c1)CC/C(=C/C(=O)[O-])C2=O	ZINC000036427203	175207852	/nfs/dbraw/zinc/20/78/52/175207852.db2.gz	MAHPIJDPKFYPDB-CLFYSBASSA-N	-1	0	232.235	1.835	50	30		BDEARM
C[C@@H](CN(C)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000111025999	175703968	/nfs/dbraw/zinc/70/39/68/175703968.db2.gz	ZUYKHVRMVDCDJD-QMMMGPOBSA-N	-1	0	236.246	1.854	50	30		BDEARM
CCS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000097098355	487828430	/nfs/dbraw/zinc/82/84/30/487828430.db2.gz	JWVABIZLGQHTDX-UHFFFAOYSA-N	-1	0	242.304	1.097	50	30		BDEARM
CC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C	ZINC000084721716	488085370	/nfs/dbraw/zinc/08/53/70/488085370.db2.gz	YDPNFDRRXWZORH-XHNCKOQMSA-N	-1	0	233.333	1.975	50	30		BDEARM
CCCCCCCCNC(=O)C(=O)[O-]	ZINC000060238024	520033702	/nfs/dbraw/zinc/03/37/02/520033702.db2.gz	VYHZNGLVVFUBAX-UHFFFAOYSA-N	-1	0	201.266	1.548	50	30		BDEARM
O=[N+]([O-])c1ccc([O-])c(C=Nc2nc[nH]n2)c1	ZINC000006925854	342786329	/nfs/dbraw/zinc/78/63/29/342786329.db2.gz	QRDYNUKLHKSHGV-ONNFQVAWSA-N	-1	0	233.187	1.169	50	30		BDEARM
COc1ccccc1NC(=O)/C(=N\[O-])C(C)=O	ZINC000003317406	187246480	/nfs/dbraw/zinc/24/64/80/187246480.db2.gz	DYBHMKMYRGOXDC-RAXLEYEMSA-N	-1	0	236.227	1.053	50	30		BDEARM
CC(C)(CNC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC000097036079	187289489	/nfs/dbraw/zinc/28/94/89/187289489.db2.gz	QWOYJEPLLSZCGX-UHFFFAOYSA-N	-1	0	238.287	1.297	50	30		BDEARM
C[C@H](C=NNc1nncc(=O)[n-]1)c1ccccc1	ZINC000000129931	344560031	/nfs/dbraw/zinc/56/00/31/344560031.db2.gz	ORSXOQXKLHCXAX-MRACZJACSA-N	-1	0	243.270	1.366	50	30		BDEARM
CC(=O)Nc1ccc(NC(=O)C=N[O-])cc1	ZINC000252630164	345565482	/nfs/dbraw/zinc/56/54/82/345565482.db2.gz	UWGIQYMFZUSNKO-UHFFFAOYSA-N	-1	0	221.216	1.044	50	30		BDEARM
CCSc1nc(CC)c(C#N)c(=O)[n-]1	ZINC000005238857	345946276	/nfs/dbraw/zinc/94/62/76/345946276.db2.gz	KDOBOGWVDFYXLF-UHFFFAOYSA-N	-1	0	209.274	1.316	50	30		BDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NO	ZINC000100536090	180331200	/nfs/dbraw/zinc/33/12/00/180331200.db2.gz	YWTGUGPWBFOVSW-KPKJPENVSA-N	-1	0	217.228	1.694	50	30		BDEARM
Cc1nn(CCC#N)c(C)c1CCC(=O)[O-]	ZINC000012804196	180386206	/nfs/dbraw/zinc/38/62/06/180386206.db2.gz	NKLXFIZDENWOEQ-UHFFFAOYSA-N	-1	0	221.260	1.431	50	30		BDEARM
CC=Cc1nc(SC)c(C#N)c(=O)[n-]1	ZINC000005789205	187930019	/nfs/dbraw/zinc/93/00/19/187930019.db2.gz	YYDSYWBQAIBPFV-ARJAWSKDSA-N	-1	0	207.258	1.397	50	30		BDEARM
C#CCSc1nnc(-c2ccccc2)c(=O)[n-]1	ZINC000008607227	188052087	/nfs/dbraw/zinc/05/20/87/188052087.db2.gz	IYVDBGOPIFHJPC-UHFFFAOYSA-N	-1	0	243.291	1.970	50	30		BDEARM
C=CCN1C(=O)C(=N[O-])c2cccc(C)c21	ZINC000252458333	363264708	/nfs/dbraw/zinc/26/47/08/363264708.db2.gz	ALAADJMQCCAQMB-UHFFFAOYSA-N	-1	0	216.240	1.706	50	30		BDEARM
N#Cc1cc(-c2ccccc2)c(N)[n-]c1=O	ZINC000017111126	181080586	/nfs/dbraw/zinc/08/05/86/181080586.db2.gz	RZJFNTXITWCKRV-UHFFFAOYSA-N	-1	0	211.224	1.496	50	30		BDEARM
N#Cc1cccc(NC(=O)CCCC(=O)[O-])c1	ZINC000014013067	181140279	/nfs/dbraw/zinc/14/02/79/181140279.db2.gz	NINXNHHWQKXJTC-UHFFFAOYSA-N	-1	0	232.239	1.752	50	30		BDEARM
N#Cc1ccccc1NC(=O)CCCC(=O)[O-]	ZINC000000154756	181147850	/nfs/dbraw/zinc/14/78/50/181147850.db2.gz	LOZXDWGSQRJCPC-UHFFFAOYSA-N	-1	0	232.239	1.752	50	30		BDEARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc[nH]n1	ZINC000035074033	355771545	/nfs/dbraw/zinc/77/15/45/355771545.db2.gz	MQTDUWUYHTUVJA-NKWVEPMBSA-N	-1	0	236.231	1.060	50	30		BDEARM
CCCc1c(C)[n-]c(=O)c(C#N)c1C#N	ZINC000035326403	357166736	/nfs/dbraw/zinc/16/67/36/357166736.db2.gz	OXITWBSGITYRIH-UHFFFAOYSA-N	-1	0	201.229	1.791	50	30		BDEARM
CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000096446464	166514729	/nfs/dbraw/zinc/51/47/29/166514729.db2.gz	PYIKPEBDOJCJQD-UHFFFAOYSA-N	-1	0	246.288	1.507	50	30		BDEARM
O=C(/C(=N\[O-])c1ccco1)c1ccco1	ZINC000095917808	181829434	/nfs/dbraw/zinc/82/94/34/181829434.db2.gz	RSLKNHHWFJLREX-LUAWRHEFSA-N	-1	0	205.169	1.934	50	30		BDEARM
C=CCC/C(C)=N/Nc1nc(=O)c(C)n[n-]1	ZINC000008735716	372870612	/nfs/dbraw/zinc/87/06/12/372870612.db2.gz	PVMQDLAKUZTWRN-KPKJPENVSA-N	-1	0	221.264	1.227	50	30		BDEARM
O=C(C=C1NC(=O)[N-]C1=O)c1ccccc1	ZINC000013810277	182789548	/nfs/dbraw/zinc/78/95/48/182789548.db2.gz	IMXWGAFZMLWZSH-VURMDHGXSA-N	-1	0	216.196	1.433	50	30		BDEARM
O=C1Nc2ccc(Br)cc2/C1=N/[O-]	ZINC000004797464	384079621	/nfs/dbraw/zinc/07/96/21/384079621.db2.gz	APYQTLASEQODSC-UHFFFAOYSA-N	-1	0	241.044	1.580	50	30		BDEARM
O=C(/C(=N\[O-])c1ccccc1)N1CCCCC1	ZINC000013956833	384379058	/nfs/dbraw/zinc/37/90/58/384379058.db2.gz	KWWZFTGKXYCQQT-OWBHPGMISA-N	-1	0	232.283	1.877	50	30		BDEARM
CC(=O)C(C(C)=O)=C1[N-]c2ccccc2C1=O	ZINC000100593600	385563649	/nfs/dbraw/zinc/56/36/49/385563649.db2.gz	PNPGREBKOFIGDR-UHFFFAOYSA-N	-1	0	229.235	1.727	50	30	biogenic	BDEARM
N#CC1=C([O-])NC(=O)N(c2ccccc2Cl)C1	ZINC000095704911	388784013	/nfs/dbraw/zinc/78/40/13/388784013.db2.gz	VKRIEQIOXPMOJV-SSDOTTSWSA-N	-1	0	249.657	1.536	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccccc1CC	ZINC000161756042	166327061	/nfs/dbraw/zinc/32/70/61/166327061.db2.gz	TWQDJRSEIZWRIL-UHFFFAOYSA-N	-1	0	247.294	1.962	50	30		BDEARM
CCO[N-]C(=O)[C@@H](C)Oc1cccc(C#N)c1	ZINC000049346286	411231702	/nfs/dbraw/zinc/23/17/02/411231702.db2.gz	PVFFTYMLJJCJDX-SECBINFHSA-N	-1	0	234.255	1.393	50	30		BDEARM
CCOC(=O)C(C#N)=C([O-])c1cccc(C)c1	ZINC000103704099	170262972	/nfs/dbraw/zinc/26/29/72/170262972.db2.gz	XBNODEGBSQEXBY-LLVKDONJSA-N	-1	0	231.251	1.881	50	30		BDEARM
CC(C)(C)OC(=O)N[C@H](CCC#N)C(=O)[O-]	ZINC000034375151	646615675	/nfs/dbraw/zinc/61/56/75/646615675.db2.gz	GFRAZDGVUSPMRH-SSDOTTSWSA-N	-1	0	228.248	1.268	50	30		BDEARM
COC(=O)C1=C([O-])CSC1=Nc1ccccc1	ZINC000000377245	342685504	/nfs/dbraw/zinc/68/55/04/342685504.db2.gz	BHRLWZVAFTWUKQ-UHFFFAOYSA-N	-1	0	249.291	1.799	50	30		BDEARM
C=CCN1C(=O)C(=N[O-])c2ccccc21	ZINC000254287547	398292623	/nfs/dbraw/zinc/29/26/23/398292623.db2.gz	AHZYYNWKSVWDPG-UHFFFAOYSA-N	-1	0	202.213	1.398	50	30		BDEARM
COc1c2c(cc(/C=N/[O-])c1OC)OCO2	ZINC000015081288	342891638	/nfs/dbraw/zinc/89/16/38/342891638.db2.gz	AMGXYCLZPGBSHQ-NYYWCZLTSA-N	-1	0	225.200	1.241	50	30		BDEARM
O=C1c2ccccc2C(=O)C([N+](=O)[O-])=C1[O-]	ZINC000019639273	187253106	/nfs/dbraw/zinc/25/31/06/187253106.db2.gz	MMIBDNPEOXEBAU-UHFFFAOYSA-N	-1	0	219.152	1.112	50	30		BDEARM
C/C(=C\C(=O)c1c([O-])cc(C)oc1=O)N(C)C	ZINC000100251617	187290292	/nfs/dbraw/zinc/29/02/92/187290292.db2.gz	XWNRFVIKCJUDKE-FNORWQNLSA-N	-1	0	237.255	1.302	50	30		BDEARM
CN(C)c1ccc(C=Nc2nn[nH]n2)cc1	ZINC000005893548	187300095	/nfs/dbraw/zinc/30/00/95/187300095.db2.gz	UFOBCNOPRJJQAC-YRNVUSSQSA-N	-1	0	216.248	1.016	50	30		BDEARM
C=CCn1nc(C)c(CCC(=O)[O-])c1C	ZINC000062716537	187361627	/nfs/dbraw/zinc/36/16/27/187361627.db2.gz	RWHSLONEYAOUIX-UHFFFAOYSA-N	-1	0	208.261	1.703	50	30		BDEARM
CC1=C([O-])C(=O)C(=Cc2ccco2)C1=O	ZINC000137125513	351321849	/nfs/dbraw/zinc/32/18/49/351321849.db2.gz	FGPNBNSPPPWJHF-URNIURQGSA-N	-1	0	204.181	1.020	50	30		BDEARM
CC1=C([O-])C(=O)C(=Cc2ccco2)C1=O	ZINC000137125557	351322586	/nfs/dbraw/zinc/32/25/86/351322586.db2.gz	FGPNBNSPPPWJHF-YTDSJMIDSA-N	-1	0	204.181	1.020	50	30		BDEARM
N#C/C(=N\[O-])C(=O)c1ccc(Cl)cc1	ZINC000000095649	181025543	/nfs/dbraw/zinc/02/55/43/181025543.db2.gz	ZFSDUUXTWGHSCG-XYOKQWHBSA-N	-1	0	208.604	1.876	50	30		BDEARM
N#Cc1cc(Br)c(C(=O)[O-])cc1O	ZINC000263624567	181081606	/nfs/dbraw/zinc/08/16/06/181081606.db2.gz	RQEJWQRMWAKSFR-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1ccc(-c2cccs2)[n-]c1=O	ZINC000014982533	181095883	/nfs/dbraw/zinc/09/58/83/181095883.db2.gz	JTXFPILITXFNSM-UHFFFAOYSA-N	-1	0	202.238	1.975	50	30		BDEARM
N#Cc1c[n-]n2c1nc1c(c2=O)CCCC1	ZINC000008677677	181165568	/nfs/dbraw/zinc/16/55/68/181165568.db2.gz	HZGGBKSHPDXANX-UHFFFAOYSA-N	-1	0	214.228	1.185	50	30		BDEARM
N#Cc1nc(-c2ccsc2)c(=O)[n-]c1C#N	ZINC000084847046	181169830	/nfs/dbraw/zinc/16/98/30/181169830.db2.gz	UNKZQYRUAFQDJO-UHFFFAOYSA-N	-1	0	228.236	1.654	50	30		BDEARM
CCC[C@H]1Cc2[n-]c(=O)c(C#N)cc2CO1	ZINC000009066967	370410150	/nfs/dbraw/zinc/41/01/50/370410150.db2.gz	DFZLVDRZKMKTHD-JTQLQIEISA-N	-1	0	218.256	1.488	50	30	biogenic	BDEARM
CCc1[nH]c(=O)c(C#N)c2c1CCCC2	ZINC000008674167	372840302	/nfs/dbraw/zinc/84/03/02/372840302.db2.gz	ASHPLLYTBYJWQS-UHFFFAOYSA-N	-1	0	202.257	1.688	50	30		BDEARM
CCc1c(C)nc2c(C#N)c(C)[n-]n2c1=O	ZINC000100261253	384143092	/nfs/dbraw/zinc/14/30/92/384143092.db2.gz	ZCAHZFVKTFERAJ-UHFFFAOYSA-N	-1	0	216.244	1.074	50	30	in-vitro	BDEARM
[O-]/N=C(C(=N/O)\c1ccoc1)/c1ccoc1	ZINC000017185268	384482376	/nfs/dbraw/zinc/48/23/76/384482376.db2.gz	HSTJRKKPDHBDGA-HWAYABPNSA-N	-1	0	220.184	1.929	50	30		BDEARM
COC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000100062591	384613996	/nfs/dbraw/zinc/61/39/96/384613996.db2.gz	MHXYWUNYSPAWFW-VIFPVBQESA-N	-1	0	203.197	1.182	50	30		BDEARM
C(=CN=Nc1nnn[n-]1)Cc1ccccc1	ZINC000255996152	385155069	/nfs/dbraw/zinc/15/50/69/385155069.db2.gz	QBWXSGSAMQGELO-URBZRCENSA-N	-1	0	214.232	1.311	50	30		BDEARM
C=CCSc1nc2ccccc2c(=O)n1[O-]	ZINC000035170738	387131096	/nfs/dbraw/zinc/13/10/96/387131096.db2.gz	CFJMLCXJRFRJTH-UHFFFAOYSA-N	-1	0	234.280	1.912	50	30		BDEARM
CCC(N=Nc1nnc(C)c(=O)[n-]1)C(C)C	ZINC000253532590	388611125	/nfs/dbraw/zinc/61/11/25/388611125.db2.gz	PYBUFESPQOKXAO-UHFFFAOYSA-N	-1	0	223.280	1.720	50	30		BDEARM
CCC[C@@H]1Cc2[n-]c(=O)c(C#N)cc2CO1	ZINC000009066965	388675165	/nfs/dbraw/zinc/67/51/65/388675165.db2.gz	DFZLVDRZKMKTHD-SNVBAGLBSA-N	-1	0	218.256	1.488	50	30	biogenic	BDEARM
Cc1cc(C(F)(F)F)c(C#N)c(C(=O)[O-])n1	ZINC000095929115	388788589	/nfs/dbraw/zinc/78/85/89/388788589.db2.gz	KVPKECSKFQLWAY-UHFFFAOYSA-N	-1	0	230.145	1.979	50	30		BDEARM
C=CCN1c2ccc(C)cc2C(=N[O-])C1=O	ZINC000252458550	410464472	/nfs/dbraw/zinc/46/44/72/410464472.db2.gz	QTIZOMOMTHOHFT-UHFFFAOYSA-N	-1	0	216.240	1.706	50	30		BDEARM
C=CCN1C=C([O-])c2ccccc2S1(=O)=O	ZINC000005274941	166351945	/nfs/dbraw/zinc/35/19/45/166351945.db2.gz	WQKAOJYBIVJDRR-UHFFFAOYSA-N	-1	0	237.280	1.060	50	30		BDEARM
CCOC(=O)c1ccc(NC(=O)/C=N/[O-])cc1	ZINC000012390146	170296069	/nfs/dbraw/zinc/29/60/69/170296069.db2.gz	ZNSCOZPQUDQAEG-KPKJPENVSA-N	-1	0	236.227	1.262	50	30		BDEARM
COc1ccc2c(c1)[n-]cc(C#N)c2=O	ZINC000039246713	175205611	/nfs/dbraw/zinc/20/56/11/175205611.db2.gz	BRANBXSWAAPZNW-UHFFFAOYSA-N	-1	0	200.197	1.821	50	30		BDEARM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000076877498	487748658	/nfs/dbraw/zinc/74/86/58/487748658.db2.gz	IYDHSARTDQSGDF-SECBINFHSA-N	-1	0	248.348	1.720	50	30		BDEARM
[O-]/N=C1\CCCc2nn(-c3ccccc3)nc21	ZINC000100498788	487946054	/nfs/dbraw/zinc/94/60/54/487946054.db2.gz	OBUYPANMZNFRGC-RVDMUPIBSA-N	-1	0	228.255	1.782	50	30		BDEARM
Cc1ccc(Nc2[nH]c(=O)[n-]c(=O)c2C#N)cc1	ZINC000046089217	491079923	/nfs/dbraw/zinc/07/99/23/491079923.db2.gz	WRVZXTXKIINKMR-UHFFFAOYSA-N	-1	0	242.238	1.812	50	30		BDEARM
C=CCN1C(=O)[C@@H](C(=O)[O-])C(=O)c2ccccc21	ZINC000000361282	534846244	/nfs/dbraw/zinc/84/62/44/534846244.db2.gz	VNDRVBCBOASWAE-JTQLQIEISA-N	-1	0	245.234	1.103	50	30	biogenic	BDEARM
O=[N+]([O-])C=C([O-])c1cc(F)c(F)cc1F	ZINC000113429232	527188920	/nfs/dbraw/zinc/18/89/20/527188920.db2.gz	OPYMKWQCWNCVLH-UHFFFAOYSA-N	-1	0	219.118	1.563	50	30		BDEARM
c1ccc2c(c1)cccc2CN=Nc1nnn[n-]1	ZINC000022018950	643400129	/nfs/dbraw/zinc/40/01/29/643400129.db2.gz	WDHRQFOMBPEJNN-JYRVWZFOSA-N	-1	0	238.254	1.799	50	30		BDEARM
C[C@@H](C#N)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700361124	711990368	/nfs/dbraw/zinc/99/03/68/711990368.db2.gz	XDJOLFSBHBPDNR-HTQZYQBOSA-N	-1	0	242.275	1.514	50	30		BDEARM
O=C([O-])C(=O)/C=C/c1ccc(F)c(F)c1	ZINC000071765841	398159359	/nfs/dbraw/zinc/15/93/59/398159359.db2.gz	ZPKURAUIQQBQCX-DUXPYHPUSA-N	-1	0	212.151	1.632	50	30		BDEARM
CCCC[N+]1c2ccccc2C(=N[O-])C1=O	ZINC000343516955	136230745	/nfs/dbraw/zinc/23/07/45/136230745.db2.gz	OPIMLFBBSVDBFH-UHFFFAOYSA-N	-1	0	218.256	1.977	50	30		BDEARM
COc1cc(C(=O)[O-])ccc1OCC#N	ZINC000003342675	342732761	/nfs/dbraw/zinc/73/27/61/342732761.db2.gz	WBONNLLXLQNLFF-UHFFFAOYSA-N	-1	0	207.185	1.296	50	30		BDEARM
Cc1ccc(Cl)c2c1NC(=O)/C2=N\[O-]	ZINC000006556680	342779349	/nfs/dbraw/zinc/77/93/49/342779349.db2.gz	YKIILHOIUVUGLL-UHFFFAOYSA-N	-1	0	210.620	1.779	50	30		BDEARM
C=CC[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000262948353	187233826	/nfs/dbraw/zinc/23/38/26/187233826.db2.gz	OHSZXCHJKYAHMS-DCAQKATOSA-N	-1	0	239.315	1.958	50	30		BDEARM
N#CCc1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000004054435	187247041	/nfs/dbraw/zinc/24/70/41/187247041.db2.gz	CLTSPQXWKLFMKL-JTQLQIEISA-N	-1	0	247.279	1.474	50	30		BDEARM
C/C(=N/O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1	ZINC000005287784	187247449	/nfs/dbraw/zinc/24/74/49/187247449.db2.gz	HNEBHCLTULWJDW-ZUNXXLSSSA-N	-1	0	248.238	1.464	50	30		BDEARM
O=C([O-])C(Cl)=C(Cl)C=Nc1nc[nH]n1	ZINC000004929150	187247681	/nfs/dbraw/zinc/24/76/81/187247681.db2.gz	SLJKYSKEHJSPHV-AKRLAUASSA-N	-1	0	235.030	1.281	50	30		BDEARM
N#Cc1c(=O)[nH]c(=S)[nH]c1-c1cccc(O)c1	ZINC000016972977	187251894	/nfs/dbraw/zinc/25/18/94/187251894.db2.gz	KOUXCBLZYXZFEE-UHFFFAOYSA-N	-1	0	245.263	1.715	50	30		BDEARM
Cc1n[n-]c(N/N=C/c2ccc(F)cc2)nc1=O	ZINC000003901985	179836152	/nfs/dbraw/zinc/83/61/52/179836152.db2.gz	YRNLAMYSJNMKRG-AWNIVKPZSA-N	-1	0	247.233	1.058	50	30		BDEARM
N#Cc1cnn(-c2ccc(C(=O)[O-])cc2)c1N	ZINC000003335010	187927658	/nfs/dbraw/zinc/92/76/58/187927658.db2.gz	KAQCYGLIMDDYKW-UHFFFAOYSA-N	-1	0	228.211	1.024	50	30		BDEARM
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000038418596	188007519	/nfs/dbraw/zinc/00/75/19/188007519.db2.gz	DGEZDWGCGXHLEW-LLVKDONJSA-N	-1	0	249.266	1.942	50	30		BDEARM
C=CCCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000054399457	188007538	/nfs/dbraw/zinc/00/75/38/188007538.db2.gz	NTJRSUCGNYCBNO-WCBMZHEXSA-N	-1	0	213.277	1.568	50	30		BDEARM
N#Cc1cc(Br)ccc1CC(=O)[O-]	ZINC000217057425	181081709	/nfs/dbraw/zinc/08/17/09/181081709.db2.gz	RHTXWPDOAUPYHW-UHFFFAOYSA-N	-1	0	240.056	1.948	50	30		BDEARM
N#Cc1ccc(CSCC(=O)[O-])cc1	ZINC000005010151	181110645	/nfs/dbraw/zinc/11/06/45/181110645.db2.gz	YAPZRBCKDSHRQX-UHFFFAOYSA-N	-1	0	207.254	1.876	50	30		BDEARM
N#Cc1cccc(S(=O)(=O)[N-]c2ccon2)c1	ZINC000035670939	181143621	/nfs/dbraw/zinc/14/36/21/181143621.db2.gz	CMJKYFMRTSBGPV-UHFFFAOYSA-N	-1	0	249.251	1.347	50	30		BDEARM
Cc1cc(C)n([C@H](C(=O)[O-])C(C)C)c(=O)c1C#N	ZINC000036569373	361174270	/nfs/dbraw/zinc/17/42/70/361174270.db2.gz	WNEHVRVYXFLQQC-NSHDSACASA-N	-1	0	248.282	1.619	50	30		BDEARM
CC(=NO)C(=N[O-])C(=O)Nc1ccc(C)cc1	ZINC000252601226	363985578	/nfs/dbraw/zinc/98/55/78/363985578.db2.gz	DYDIQVWOHOXRSH-UHFFFAOYSA-N	-1	0	235.243	1.614	50	30		BDEARM
CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1	ZINC000138309371	368419971	/nfs/dbraw/zinc/41/99/71/368419971.db2.gz	PFSWASUQURIOOR-UHFFFAOYSA-N	-1	0	239.319	1.836	50	30	in-vitro	BDEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/NCCO	ZINC000004300035	183071462	/nfs/dbraw/zinc/07/14/62/183071462.db2.gz	OMTIMYCPJOSFDR-WLRTZDKTSA-N	-1	0	249.097	1.615	50	30		BDEARM
COC(=O)c1cc2cc(/C=N/N(C)C)oc2[n-]1	ZINC000000481479	383872915	/nfs/dbraw/zinc/87/29/15/383872915.db2.gz	QBEQDEOSFHQRDZ-WUXMJOGZSA-N	-1	0	235.243	1.443	50	30		BDEARM
Cc1n[n-]c(N/N=C/[C@H]2CC=CCC2)nc1=O	ZINC000015923635	384445791	/nfs/dbraw/zinc/44/57/91/384445791.db2.gz	ZVMYQFHBMMKIBH-SZUMLMDFSA-N	-1	0	233.275	1.227	50	30		BDEARM
COC(=O)C(C#N)=N[N-]c1ccccc1F	ZINC000017201369	384482596	/nfs/dbraw/zinc/48/25/96/384482596.db2.gz	RGEXUIGJJIGQSM-ZROIWOOFSA-N	-1	0	221.191	1.290	50	30		BDEARM
O=c1c(/C=N\[O-])coc2ccc(F)cc12	ZINC000100918300	384659149	/nfs/dbraw/zinc/65/91/49/384659149.db2.gz	NZZHRRVPHZASLL-QCDXTXTGSA-N	-1	0	207.160	1.740	50	30		BDEARM
N#Cc1ccc([O-])cc1I	ZINC000095709553	384918026	/nfs/dbraw/zinc/91/80/26/384918026.db2.gz	AUUHDUIJYZLFHO-UHFFFAOYSA-N	-1	0	245.019	1.868	50	30		BDEARM
C#CCOC(=O)c1ccccc1C(=O)[O-]	ZINC000002132627	166195495	/nfs/dbraw/zinc/19/54/95/166195495.db2.gz	BEWCAUPONZLPFD-UHFFFAOYSA-N	-1	0	204.181	1.175	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccoc1C	ZINC000086137986	166326734	/nfs/dbraw/zinc/32/67/34/166326734.db2.gz	QGKCQOZQOLTCGI-UHFFFAOYSA-N	-1	0	223.228	1.301	50	30		BDEARM
C=CCNC(=O)C[C@@H](CC(=O)[O-])c1ccccc1	ZINC000057536208	166372713	/nfs/dbraw/zinc/37/27/13/166372713.db2.gz	OQWILQYKFRZSRY-LBPRGKRZSA-N	-1	0	247.294	1.937	50	30		BDEARM
Cc1cccc(NC(=O)/C(C#N)=N\[O-])c1	ZINC000101390795	410768490	/nfs/dbraw/zinc/76/84/90/410768490.db2.gz	JTLJDFWSRDIRQP-LCYFTJDESA-N	-1	0	203.201	1.287	50	30		BDEARM
CC/C(=N\OCC(=O)[O-])c1ccccc1	ZINC000071772954	167820198	/nfs/dbraw/zinc/82/01/98/167820198.db2.gz	SNFQHEDYISCANY-ZRDIBKRKSA-N	-1	0	207.229	1.902	50	30		BDEARM
CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1ccccc1	ZINC000003997632	170279076	/nfs/dbraw/zinc/27/90/76/170279076.db2.gz	UHYXCQUAAGEZRX-WDEREUQCSA-N	-1	0	249.266	1.181	50	30		BDEARM
COc1cc2[n-]cc(C#N)c(=O)c2cc1[N+](=O)[O-]	ZINC000080859195	175027881	/nfs/dbraw/zinc/02/78/81/175027881.db2.gz	KTZRTSATHWBRBI-UHFFFAOYSA-N	-1	0	245.194	1.729	50	30		BDEARM
C[C@H]1CCC[C@@H](C(=O)[O-])N1C(=O)CCS	ZINC000000235502	177113677	/nfs/dbraw/zinc/11/36/77/177113677.db2.gz	UHIOKYGCFGNNCU-YUMQZZPRSA-N	-1	0	231.317	1.161	50	30	biogenic	BDEARM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000076877501	487748796	/nfs/dbraw/zinc/74/87/96/487748796.db2.gz	IYDHSARTDQSGDF-VIFPVBQESA-N	-1	0	248.348	1.720	50	30		BDEARM
CCCOc1ccccc1CN=Nc1nnn[n-]1	ZINC000004991953	520472766	/nfs/dbraw/zinc/47/27/66/520472766.db2.gz	OWIVUACTTQDVDB-XYOKQWHBSA-N	-1	0	246.274	1.435	50	30		BDEARM
C[C@H](CC#N)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700402277	711991962	/nfs/dbraw/zinc/99/19/62/711991962.db2.gz	GFAVNKLTLDALGH-SFYZADRCSA-N	-1	0	242.275	1.514	50	30		BDEARM
N#Cc1ccc(Nc2nc([O-])cc(=O)[nH]2)cc1	ZINC000044136219	343492930	/nfs/dbraw/zinc/49/29/30/343492930.db2.gz	HJFLUKUOXWTIBQ-UHFFFAOYSA-N	-1	0	228.211	1.091	50	30	in-vitro	BDEARM
CCOc1ccc2c(c1)[n-]cc(C#N)c2=O	ZINC000039100072	344847064	/nfs/dbraw/zinc/84/70/64/344847064.db2.gz	KCRWFINJQDRSKE-UHFFFAOYSA-N	-1	0	214.224	1.798	50	30	in-vitro	BDEARM
Cc1cccc(N/C(=N\[O-])c2nonc2N)c1	ZINC000017970415	179121156	/nfs/dbraw/zinc/12/11/56/179121156.db2.gz	AWLNUYVOVDYODL-UHFFFAOYSA-N	-1	0	233.231	1.208	50	30		BDEARM
C=C(CC(=O)NCc1ccccc1)C(=O)[O-]	ZINC000071774344	188047631	/nfs/dbraw/zinc/04/76/31/188047631.db2.gz	BKRSMSSGRBVDAO-UHFFFAOYSA-N	-1	0	219.240	1.334	50	30		BDEARM
N#Cc1ccc(-c2ccsc2)[n-]c1=O	ZINC000036364822	181095666	/nfs/dbraw/zinc/09/56/66/181095666.db2.gz	MCKRJEQIDCIFCE-UHFFFAOYSA-N	-1	0	202.238	1.975	50	30		BDEARM
N#Cc1ccccc1N1CCC[C@H]1C(=O)[O-]	ZINC000019735949	181147272	/nfs/dbraw/zinc/14/72/72/181147272.db2.gz	KTVDOGNHEOIIGF-NSHDSACASA-N	-1	0	216.240	1.612	50	30		BDEARM
C=CCn1c(=N)n(CC(=O)[O-])c2ccccc21	ZINC000000239220	355893490	/nfs/dbraw/zinc/89/34/90/355893490.db2.gz	JCKSQEDEFWVBRF-UHFFFAOYSA-N	-1	0	231.255	1.193	50	30		BDEARM
N#Cc1ccc(-c2cnc(C(=O)[O-])nc2)cc1	ZINC000675070405	538501977	/nfs/dbraw/zinc/50/19/77/538501977.db2.gz	XNAMARHJMWZMRL-UHFFFAOYSA-N	-1	0	225.207	1.713	50	30		BDEARM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)[O-]	ZINC000095347542	166640802	/nfs/dbraw/zinc/64/08/02/166640802.db2.gz	MIRBMHHZLRQLQM-SNVBAGLBSA-N	-1	0	213.233	1.333	50	30		BDEARM
O=C(/C=N/[O-])Nc1ccc(F)cc1F	ZINC000000075851	383825214	/nfs/dbraw/zinc/82/52/14/383825214.db2.gz	DIAMOYGBZASPQT-NYYWCZLTSA-N	-1	0	200.144	1.363	50	30		BDEARM
O=C(Nc1ccccn1)c1ncccc1[O-]	ZINC000037760416	384011180	/nfs/dbraw/zinc/01/11/80/384011180.db2.gz	DZWRIRNGYPMYFJ-UHFFFAOYSA-N	-1	0	215.212	1.819	50	30		BDEARM
COC(=O)C(C)=N[N-]c1ncnc2ccccc21	ZINC000004536995	384393709	/nfs/dbraw/zinc/39/37/09/384393709.db2.gz	YIUPXIDQTOHENJ-OVCLIPMQSA-N	-1	0	244.254	1.591	50	30		BDEARM
CCOc1ccccc1C(=O)NCC(=O)[O-]	ZINC000082059601	384644336	/nfs/dbraw/zinc/64/43/36/384644336.db2.gz	OOWLKCOFLNMDFW-UHFFFAOYSA-N	-1	0	223.228	1.475	50	30		BDEARM
CCOCc1c(C#N)c(=O)[n-]c(C)c1[N+](=O)[O-]	ZINC000004625565	384868022	/nfs/dbraw/zinc/86/80/22/384868022.db2.gz	GWWQBHBLBPEILP-UHFFFAOYSA-N	-1	0	237.215	1.412	50	30		BDEARM
C=CCN1C(=O)/C(=N\[O-])c2ccccc21	ZINC000013638909	166351417	/nfs/dbraw/zinc/35/14/17/166351417.db2.gz	AHZYYNWKSVWDPG-BENRWUELSA-N	-1	0	202.213	1.398	50	30		BDEARM
C=CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000001604342	166390104	/nfs/dbraw/zinc/39/01/04/166390104.db2.gz	SLRAUCUDDYGPJP-IUCAKERBSA-N	-1	0	211.261	1.180	50	30		BDEARM
Cc1c(C(=O)[O-])c(O)cn1-c1ccccc1	ZINC000227148989	168080710	/nfs/dbraw/zinc/08/07/10/168080710.db2.gz	JCNBFDYETUBFOZ-UHFFFAOYSA-N	-1	0	217.224	1.434	50	30		BDEARM
CCOC(=O)C(C#N)=C([O-])c1ccc(N)cc1	ZINC000000051012	170244526	/nfs/dbraw/zinc/24/45/26/170244526.db2.gz	KKXODNXRKUAVRF-JTQLQIEISA-N	-1	0	232.239	1.154	50	30		BDEARM
COc1cc2[n-]cc(C#N)c(=O)c2c(OC)c1	ZINC000085344433	175008882	/nfs/dbraw/zinc/00/88/82/175008882.db2.gz	VULJFGGTQMATOG-UHFFFAOYSA-N	-1	0	230.223	1.829	50	30		BDEARM
CCCCCCCSc1n[nH]c(=O)[n-]c1=O	ZINC000002474325	534988915	/nfs/dbraw/zinc/98/89/15/534988915.db2.gz	QGAQOPDECLOEMG-UHFFFAOYSA-N	-1	0	243.332	1.933	50	30		BDEARM
Cn1ccnc1CC(=N[O-])c1ccccc1	ZINC000254571467	642440542	/nfs/dbraw/zinc/44/05/42/642440542.db2.gz	XWYIBTNAXPAQLG-UHFFFAOYSA-N	-1	0	215.256	1.841	50	30		BDEARM
C[C@H](C(=N[O-])c1ccccc1)N1CC[C@H](O)O1	ZINC000254440652	642723500	/nfs/dbraw/zinc/72/35/00/642723500.db2.gz	IYWNAOSGSFKBIF-MWLCHTKSSA-N	-1	0	236.271	1.209	50	30		BDEARM
C[C@H](C#N)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700361128	711990793	/nfs/dbraw/zinc/99/07/93/711990793.db2.gz	XDJOLFSBHBPDNR-JGVFFNPUSA-N	-1	0	242.275	1.514	50	30		BDEARM
N#Cc1cnccc1NC[C@@H](CC(=O)[O-])C1CC1	ZINC000690447028	978278912	/nfs/dbraw/zinc/27/89/12/978278912.db2.gz	VHZUGUHJUSYTET-SNVBAGLBSA-N	-1	0	245.282	1.288	50	30		BDEARM
C=CCSc1ncccc1-c1n[n-]c(=O)o1	ZINC000040448147	398167444	/nfs/dbraw/zinc/16/74/44/398167444.db2.gz	XFGSFQMJOLURSQ-UHFFFAOYSA-N	-1	0	235.268	1.703	50	30		BDEARM
O=C([O-])/C=C/C(=O)c1ccc(F)cc1F	ZINC000075621054	398224111	/nfs/dbraw/zinc/22/41/11/398224111.db2.gz	GYTCEHNGUPAFMD-ONEGZZNKSA-N	-1	0	212.151	1.788	50	30		BDEARM
Cc1cc([O-])n(C2CCCC2)c(=O)c1C#N	ZINC000011765540	178200440	/nfs/dbraw/zinc/20/04/40/178200440.db2.gz	JBFROGCJLLBTET-UHFFFAOYSA-N	-1	0	218.256	1.849	50	30		BDEARM
N#Cc1c(=O)[n-]c(=O)[nH]c1Nc1ccccc1	ZINC000000124410	187244462	/nfs/dbraw/zinc/24/44/62/187244462.db2.gz	HXCVQWCYLSZXGW-UHFFFAOYSA-N	-1	0	228.211	1.503	50	30		BDEARM
N#C[C@]1(C(=O)[O-])CCc2ccccc2C1	ZINC000085893734	187285901	/nfs/dbraw/zinc/28/59/01/187285901.db2.gz	RQOKINGODIOQSN-LBPRGKRZSA-N	-1	0	201.225	1.770	50	30		BDEARM
C=CCn1nc(CNc2ccc(C)cc2)[n-]c1=O	ZINC000065364742	187362726	/nfs/dbraw/zinc/36/27/26/187362726.db2.gz	RRXHKGSCJUHMLE-UHFFFAOYSA-N	-1	0	244.298	1.678	50	30		BDEARM
COc1ccc([C@@H](C#N)CC(=O)[O-])cc1	ZINC000004763899	191121225	/nfs/dbraw/zinc/12/12/25/191121225.db2.gz	FZDMDZGSRLDCCR-SECBINFHSA-N	-1	0	205.213	1.777	50	30		BDEARM
CCCCCCCCC[C@@H](O)[C@H](O)C(=O)[O-]	ZINC000101446947	168651728	/nfs/dbraw/zinc/65/17/28/168651728.db2.gz	JJIJQULYODNGKJ-MNOVXSKESA-N	-1	0	232.320	1.934	50	30		BDEARM
COc1cccc(C#N)c1OCC(=O)[O-]	ZINC000002581968	187926790	/nfs/dbraw/zinc/92/67/90/187926790.db2.gz	WSXLKIGRQBXNKN-UHFFFAOYSA-N	-1	0	207.185	1.030	50	30		BDEARM
COc1ccc(NC(=O)/C=N/[O-])c([N+](=O)[O-])c1	ZINC000061997404	188014115	/nfs/dbraw/zinc/01/41/15/188014115.db2.gz	CMLIEFWWLSDKND-BJMVGYQFSA-N	-1	0	239.187	1.002	50	30		BDEARM
C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000001604343	166387424	/nfs/dbraw/zinc/38/74/24/166387424.db2.gz	SLRAUCUDDYGPJP-BDAKNGLRSA-N	-1	0	211.261	1.180	50	30		BDEARM
N#Cc1cc(C(=O)[O-])c(Br)cc1O	ZINC000263623835	181085092	/nfs/dbraw/zinc/08/50/92/181085092.db2.gz	LDERUMSGIXARDH-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1cc(O)cc(Br)c1C(=O)[O-]	ZINC000263625412	181091906	/nfs/dbraw/zinc/09/19/06/181091906.db2.gz	ZRSGRMMVBYJZJM-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1ccccc1NC(=O)/C=C/C(=O)[O-]	ZINC000005583545	181148428	/nfs/dbraw/zinc/14/84/28/181148428.db2.gz	QJUDSOIUMWQRET-AATRIKPKSA-N	-1	0	216.196	1.138	50	30		BDEARM
N#CCCCCS(=O)(=O)c1ccccc1[O-]	ZINC000075093359	356820016	/nfs/dbraw/zinc/82/00/16/356820016.db2.gz	PYNZNMKKLFLVMV-UHFFFAOYSA-N	-1	0	239.296	1.860	50	30		BDEARM
CCOc1ccc(/C(=N\[O-])[C@@H](C)NO)cc1	ZINC000100971631	384125438	/nfs/dbraw/zinc/12/54/38/384125438.db2.gz	ZUQNRFAANVNQML-KXVPCBDSSA-N	-1	0	224.260	1.631	50	30		BDEARM
O=C([O-])Cn1c2ccccc2nc1C(F)(F)F	ZINC000006252739	384148084	/nfs/dbraw/zinc/14/80/84/384148084.db2.gz	GPOYZFXQCCJBTF-UHFFFAOYSA-O	-1	0	245.180	1.559	50	30		BDEARM
CCN(CC(=O)[O-])C(=O)C1(C#N)CCCC1	ZINC000097035586	384561079	/nfs/dbraw/zinc/56/10/79/384561079.db2.gz	DDARQXWMQLJHES-UHFFFAOYSA-N	-1	0	224.260	1.003	50	30		BDEARM
O=[N+]([O-])c1ccc(/C(Cl)=N\[O-])cc1	ZINC000100348490	384636327	/nfs/dbraw/zinc/63/63/27/384636327.db2.gz	PIQHICJFBSZFMS-VQHVLOKHSA-N	-1	0	200.581	1.969	50	30		BDEARM
COC(=O)C(C#N)=NNc1cc(C)ccc1O	ZINC000023410419	384796135	/nfs/dbraw/zinc/79/61/35/384796135.db2.gz	NPGVJMGEBWLHSY-NTEUORMPSA-N	-1	0	233.227	1.165	50	30		BDEARM
O=C([O-])C=NN=c1ccc2ccccc2[nH]1	ZINC000072370096	384995237	/nfs/dbraw/zinc/99/52/37/384995237.db2.gz	SRHCWASESGCMGB-KPKJPENVSA-N	-1	0	215.212	1.717	50	30		BDEARM
COc1ccc(Cl)cc1NC(=O)C=N[O-]	ZINC000254734349	385693249	/nfs/dbraw/zinc/69/32/49/385693249.db2.gz	PQBVQTQRUFZFOI-UHFFFAOYSA-N	-1	0	228.635	1.747	50	30		BDEARM
N#CCCSc1ncccc1C(=O)[O-]	ZINC000095097908	388760080	/nfs/dbraw/zinc/76/00/80/388760080.db2.gz	XCYKKMBJIFSVKD-UHFFFAOYSA-N	-1	0	208.242	1.786	50	30		BDEARM
CC1(C)Cc2[n-]c(=O)c(C#N)cc2C(=O)C1	ZINC000096300814	388814717	/nfs/dbraw/zinc/81/47/17/388814717.db2.gz	XRYRWQJSUJBOAB-UHFFFAOYSA-N	-1	0	216.240	1.402	50	30		BDEARM
N#Cc1ccc(N2CCC(C(=O)[O-])CC2)nc1	ZINC000009256653	132319428	/nfs/dbraw/zinc/31/94/28/132319428.db2.gz	DKTWMVJYYKLZRD-UHFFFAOYSA-N	-1	0	231.255	1.254	50	30		BDEARM
Cc1n[n-]c(=S)n(N=Cc2ccco2)c1=O	ZINC000002597360	409872015	/nfs/dbraw/zinc/87/20/15/409872015.db2.gz	JCIODXDOCJZABZ-BJMVGYQFSA-N	-1	0	236.256	1.085	50	30		BDEARM
c1[nH]c2ccccc2c1CN=Nc1nnn[n-]1	ZINC000004091475	166229637	/nfs/dbraw/zinc/22/96/37/166229637.db2.gz	PACOANWFCFYBMC-WUXMJOGZSA-N	-1	0	227.231	1.127	50	30		BDEARM
C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002598030	166302333	/nfs/dbraw/zinc/30/23/33/166302333.db2.gz	LQIMZUPFMSNHTM-QMMMGPOBSA-N	-1	0	229.276	1.931	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)c1scnc1C	ZINC000086138086	166326167	/nfs/dbraw/zinc/32/61/67/166326167.db2.gz	WTGUZPWKTSTPPD-UHFFFAOYSA-N	-1	0	240.284	1.164	50	30		BDEARM
C=CCOC(=O)[C@@H](CC(=O)[O-])c1ccccc1	ZINC000096179327	411189797	/nfs/dbraw/zinc/18/97/97/411189797.db2.gz	CMNDWLHGOLOEAA-NSHDSACASA-N	-1	0	234.251	1.974	50	30		BDEARM
COc1ccc(-c2nn(CCC#N)c(=O)[n-]2)cc1	ZINC000004366776	175041567	/nfs/dbraw/zinc/04/15/67/175041567.db2.gz	RXQVGRSLWNMANA-UHFFFAOYSA-N	-1	0	244.254	1.161	50	30		BDEARM
COc1cccc(-c2ccc(C#N)c(=O)[n-]2)c1	ZINC000013597527	175234112	/nfs/dbraw/zinc/23/41/12/175234112.db2.gz	XTPHTAULHCTSQU-UHFFFAOYSA-N	-1	0	226.235	1.922	50	30		BDEARM
C[C@H](Oc1cccnc1)c1ccc(C#N)c(=O)[n-]1	ZINC000008781635	177025361	/nfs/dbraw/zinc/02/53/61/177025361.db2.gz	OOBFYYJQXHFEEK-VIFPVBQESA-N	-1	0	241.250	1.782	50	30		BDEARM
CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C	ZINC000084686933	488079956	/nfs/dbraw/zinc/07/99/56/488079956.db2.gz	PYUNTHCIOGKZAE-YUMQZZPRSA-N	-1	0	219.306	1.585	50	30		BDEARM
CC(C=O)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000101411508	582458347	/nfs/dbraw/zinc/45/83/47/582458347.db2.gz	WFDLJXFGMPYABS-SSDOTTSWSA-N	-1	0	207.185	1.613	50	30		BDEARM
CC1(C)Cc2ccccc2C(C(=N[O-])C(N)=O)=N1	ZINC000254440230	520584775	/nfs/dbraw/zinc/58/47/75/520584775.db2.gz	AEYZGCDFSMSMSP-UHFFFAOYSA-N	-1	0	245.282	1.126	50	30		BDEARM
N#CC1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCCC1	ZINC000237954841	526432410	/nfs/dbraw/zinc/43/24/10/526432410.db2.gz	WNHRZSLGQBFYIL-VIFPVBQESA-N	-1	0	236.271	1.003	50	30		BDEARM
N#Cc1c[n-]n2c1nc(-c1ccccc1)cc2=O	ZINC000253625871	526778491	/nfs/dbraw/zinc/77/84/91/526778491.db2.gz	OZSBIGQJMBPSOO-UHFFFAOYSA-N	-1	0	236.234	1.974	50	30		BDEARM
Cc1nnc(NN=Cc2ccccc2F)[n-]c1=O	ZINC000005728466	583192461	/nfs/dbraw/zinc/19/24/61/583192461.db2.gz	FIILXISPDZVPEM-UHFFFAOYSA-N	-1	0	247.233	1.058	50	30		BDEARM
C=CCOC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000002048662	978383886	/nfs/dbraw/zinc/38/38/86/978383886.db2.gz	MQKQMLUPZZNVCK-ZETCQYMHSA-N	-1	0	201.222	1.008	50	30		BDEARM
O=C([O-])C(F)(F)C(F)(F)OC(F)(F)F	ZINC000004566295	187247072	/nfs/dbraw/zinc/24/70/72/187247072.db2.gz	AGIMOOYNBDLMJV-UHFFFAOYSA-N	-1	0	230.035	1.836	50	30		BDEARM
Clc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000005344372	343274044	/nfs/dbraw/zinc/27/40/44/343274044.db2.gz	SZFUMFNPTAQHAI-BJMVGYQFSA-N	-1	0	222.639	1.299	50	30		BDEARM
COc1cc(Br)cnc1/C=N/[O-]	ZINC000035270389	343291261	/nfs/dbraw/zinc/29/12/61/343291261.db2.gz	BMQGIVOUQGZCMY-ONNFQVAWSA-N	-1	0	231.049	1.661	50	30		BDEARM
COc1cc(Br)cc(/C=N/[O-])c1O	ZINC000100318993	187290432	/nfs/dbraw/zinc/29/04/32/187290432.db2.gz	IRKJWHRHLJBZSX-ONNFQVAWSA-N	-1	0	246.060	1.971	50	30		BDEARM
C=C[C@](C)(CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000072481794	187359372	/nfs/dbraw/zinc/35/93/72/187359372.db2.gz	OJUKQCSALXKTPH-LLVKDONJSA-N	-1	0	229.276	1.931	50	30		BDEARM
O=C(NC1CCCCC1)C(=N[O-])c1ccccn1	ZINC000252628692	345558596	/nfs/dbraw/zinc/55/85/96/345558596.db2.gz	SVPLLIBNJIIUHF-UHFFFAOYSA-N	-1	0	247.298	1.709	50	30		BDEARM
Cc1cccc(C(=O)[N-]S(C)(=O)=O)c1C	ZINC000048478816	179002524	/nfs/dbraw/zinc/00/25/24/179002524.db2.gz	OBLLDUFDDKPMLZ-UHFFFAOYSA-N	-1	0	227.285	1.568	50	30		BDEARM
CCc1[n-]c(=O)c(C#N)c2c1CO[C@@H](C(C)C)C2	ZINC000000485679	346744659	/nfs/dbraw/zinc/74/46/59/346744659.db2.gz	ORKGLTGGQFVXJE-CYBMUJFWSA-N	-1	0	246.310	1.906	50	30	biogenic	BDEARM
C=CCSc1n[nH]c(=O)[n-]c1=S	ZINC000001747420	191114459	/nfs/dbraw/zinc/11/44/59/191114459.db2.gz	YVNZQPSTERHKML-UHFFFAOYSA-N	-1	0	201.276	1.106	50	30		BDEARM
N#Cc1cccc2c(CC(=O)[O-])coc21	ZINC000536950089	323952720	/nfs/dbraw/zinc/95/27/20/323952720.db2.gz	KXXQAXXTHCQAAY-UHFFFAOYSA-N	-1	0	201.181	1.932	50	30		BDEARM
N#Cc1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000000143352	181117256	/nfs/dbraw/zinc/11/72/56/181117256.db2.gz	PVXNEGDGLGDODH-UHFFFAOYSA-N	-1	0	218.212	1.362	50	30		BDEARM
N#Cc1nc(/N=N/N2CCCCC2)[n-]c1C#N	ZINC000001414512	181166960	/nfs/dbraw/zinc/16/69/60/181166960.db2.gz	ATFAWHUEROXFQS-FOCLMDBBSA-N	-1	0	229.247	1.638	50	30		BDEARM
COc1cc(/C=N/[O-])c([N+](=O)[O-])cc1OC	ZINC000000031949	358602268	/nfs/dbraw/zinc/60/22/68/358602268.db2.gz	CRQFTYUZLLSSDF-BJMVGYQFSA-N	-1	0	226.188	1.420	50	30		BDEARM
O=C([O-])c1ccc(C=Nc2nc[nH]n2)cc1	ZINC000252593856	363970413	/nfs/dbraw/zinc/97/04/13/363970413.db2.gz	BNGRKYOXBJIQTM-UHFFFAOYSA-N	-1	0	216.200	1.254	50	30		BDEARM
CC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(C)=O	ZINC000004085135	372133235	/nfs/dbraw/zinc/13/32/35/372133235.db2.gz	XWPCVQXBBFGWQE-UHFFFAOYSA-N	-1	0	232.235	1.946	50	30		BDEARM
O=C([O-])C=NN=c1[nH]c2ccccc2o1	ZINC000072370090	182415179	/nfs/dbraw/zinc/41/51/79/182415179.db2.gz	QTIFGZNCHKRBNK-BJMVGYQFSA-N	-1	0	205.173	1.310	50	30		BDEARM
CON=Cc1c(=O)n(C)[n-]c1-c1ccccc1	ZINC000004084909	384040066	/nfs/dbraw/zinc/04/00/66/384040066.db2.gz	LFPHNEQZEHQTQT-MDWZMJQESA-N	-1	0	231.255	1.773	50	30		BDEARM
C=CCNc1nnc(SCC(=O)[O-])s1	ZINC000004110145	384042534	/nfs/dbraw/zinc/04/25/34/384042534.db2.gz	GPRUEXOBASMNJD-UHFFFAOYSA-N	-1	0	231.302	1.313	50	30		BDEARM
[O-]c1c(Br)cccc1/C=N/O	ZINC000095483607	384377465	/nfs/dbraw/zinc/37/74/65/384377465.db2.gz	WUMOCQYUOSVORL-RUDMXATFSA-N	-1	0	216.034	1.963	50	30		BDEARM
O=C([O-])c1ccc(NC2=NCCS2)cc1	ZINC000096516570	384465285	/nfs/dbraw/zinc/46/52/85/384465285.db2.gz	XJZXMOLEYHSGIZ-UHFFFAOYSA-N	-1	0	222.269	1.709	50	30		BDEARM
O=CC(=C[O-])c1nc2cc(Cl)ccc2o1	ZINC000100020518	384609045	/nfs/dbraw/zinc/60/90/45/384609045.db2.gz	YPPDWRJFWIQOAS-UHFFFAOYSA-N	-1	0	223.615	1.963	50	30		BDEARM
C=CCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000019844507	386783530	/nfs/dbraw/zinc/78/35/30/386783530.db2.gz	CLXPQLMFDNLGKL-UHFFFAOYSA-N	-1	0	222.200	1.891	50	30		BDEARM
N#Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000012954437	132321772	/nfs/dbraw/zinc/32/17/72/132321772.db2.gz	SFCZUCPTDYRUIK-NSHDSACASA-N	-1	0	230.267	1.859	50	30		BDEARM
N#Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000015443582	132323091	/nfs/dbraw/zinc/32/30/91/132323091.db2.gz	LWDBBCSJQOJONX-JTQLQIEISA-N	-1	0	248.257	1.998	50	30		BDEARM
CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[O-]	ZINC000082067963	167338165	/nfs/dbraw/zinc/33/81/65/167338165.db2.gz	TZRRISNEOUTNSA-SECBINFHSA-N	-1	0	222.244	1.495	50	30		BDEARM
CCOC(=O)c1c(O)coc1Nc1ccccc1	ZINC000100151309	170191632	/nfs/dbraw/zinc/19/16/32/170191632.db2.gz	ODJBFSHHCNDWOS-UHFFFAOYSA-N	-1	0	247.250	1.473	50	30		BDEARM
COc1ccc(C(=O)/C=N/[O-])cc1OC	ZINC000002532398	175052745	/nfs/dbraw/zinc/05/27/45/175052745.db2.gz	GUCIRPFGGOUFKJ-IZZDOVSWSA-N	-1	0	209.201	1.347	50	30		BDEARM
CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C	ZINC000084686946	488080010	/nfs/dbraw/zinc/08/00/10/488080010.db2.gz	GETJPDYKNCSKIT-RKDXNWHRSA-N	-1	0	233.333	1.975	50	30		BDEARM
Cc1cc([O-])n(Cc2ccccc2)c(=O)c1C#N	ZINC000013120000	178200695	/nfs/dbraw/zinc/20/06/95/178200695.db2.gz	YSQOCAKXILHFQX-UHFFFAOYSA-N	-1	0	240.262	1.782	50	30		BDEARM
CCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000001769291	342712562	/nfs/dbraw/zinc/71/25/62/342712562.db2.gz	IHWFWYCNJLFHPC-UHFFFAOYSA-N	-1	0	245.319	1.818	50	30		BDEARM
Cn1c2ccccc2nc1/C(C#N)=N/[O-]	ZINC000003865372	342738393	/nfs/dbraw/zinc/73/83/93/342738393.db2.gz	SVFFZAWSUDKAQB-MDWZMJQESA-N	-1	0	200.201	1.275	50	30		BDEARM
CC(C)(NO)/C(=N\[O-])c1ccc(F)cc1	ZINC000015659758	343267697	/nfs/dbraw/zinc/26/76/97/343267697.db2.gz	HDSJIPTWFABFGQ-XFXZXTDPSA-N	-1	0	212.224	1.761	50	30		BDEARM
[O-]c1c(Cl)cccc1C=Nc1nc[nH]n1	ZINC000252627537	345557230	/nfs/dbraw/zinc/55/72/30/345557230.db2.gz	RWLXNNTVECUSHB-UHFFFAOYSA-N	-1	0	222.635	1.914	50	30		BDEARM
CC(=O)/C(=N\[O-])C(=O)Nc1ccc(Cl)cc1	ZINC000101127007	191064343	/nfs/dbraw/zinc/06/43/43/191064343.db2.gz	ULGINDAWAAHKFC-UKTHLTGXSA-N	-1	0	240.646	1.698	50	30		BDEARM
COc1ccc([C@H](C#N)CC(=O)[O-])cc1	ZINC000004763897	191120830	/nfs/dbraw/zinc/12/08/30/191120830.db2.gz	FZDMDZGSRLDCCR-VIFPVBQESA-N	-1	0	205.213	1.777	50	30		BDEARM
N#Cc1ccc2occ(CC(=O)[O-])c2c1	ZINC000261271320	323948816	/nfs/dbraw/zinc/94/88/16/323948816.db2.gz	LFVAVHOEOPVBCS-UHFFFAOYSA-N	-1	0	201.181	1.932	50	30		BDEARM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000000132370	188098544	/nfs/dbraw/zinc/09/85/44/188098544.db2.gz	GBGYSMXMZDBILF-UHFFFAOYSA-N	-1	0	205.213	1.800	50	30		BDEARM
CC(=O)N/C(=C\c1ccc(C#N)cc1)C(=O)[O-]	ZINC000004710217	188102321	/nfs/dbraw/zinc/10/23/21/188102321.db2.gz	DJWWYLHOVQZBNM-WDZFZDKYSA-N	-1	0	230.223	1.120	50	30		BDEARM
N#Cc1c[n-]c2cc(F)c(F)cc2c1=O	ZINC000019483583	188107669	/nfs/dbraw/zinc/10/76/69/188107669.db2.gz	UOZLRZBATVGDHK-UHFFFAOYSA-N	-1	0	206.151	1.678	50	30		BDEARM
C/C(=N\NC(=S)Nc1ccccc1)C(=O)[O-]	ZINC000005183567	188157785	/nfs/dbraw/zinc/15/77/85/188157785.db2.gz	GGWHUTQKTCPONY-KPKJPENVSA-N	-1	0	237.284	1.434	50	30		BDEARM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(F)cc1	ZINC000095630009	188146855	/nfs/dbraw/zinc/14/68/55/188146855.db2.gz	RKTKQPCOOMNFJN-UHFFFAOYSA-N	-1	0	220.207	1.099	50	30		BDEARM
CC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F	ZINC000096461320	188188376	/nfs/dbraw/zinc/18/83/76/188188376.db2.gz	FODXOMBUQORLCX-UHFFFAOYSA-N	-1	0	249.238	1.938	50	30		BDEARM
N#C/C(=N\[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000000095532	181024919	/nfs/dbraw/zinc/02/49/19/181024919.db2.gz	HJVLCJDWUSCNDF-DHZHZOJOSA-N	-1	0	244.659	1.425	50	30		BDEARM
N#Cc1cc(Br)c(O)c(C(=O)[O-])c1	ZINC000263623287	181081949	/nfs/dbraw/zinc/08/19/49/181081949.db2.gz	GFXFUEBAXZDFKY-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1c(=O)[n-]cc(C=O)c1Nc1ccccc1	ZINC000000285549	181078303	/nfs/dbraw/zinc/07/83/03/181078303.db2.gz	JVBPGGUTMMPPPF-UHFFFAOYSA-N	-1	0	239.234	1.803	50	30		BDEARM
CC(N=NC(N)=S)c1ccccc1[N+](=O)[O-]	ZINC000252478022	363345715	/nfs/dbraw/zinc/34/57/15/363345715.db2.gz	ZXTPCFPNMVQYEQ-UHFFFAOYSA-N	-1	0	238.272	1.563	50	30		BDEARM
N#Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1	ZINC000002731821	181130133	/nfs/dbraw/zinc/13/01/33/181130133.db2.gz	YIALWNWWJOVCJG-NXEZZACHSA-N	-1	0	234.280	1.346	50	30		BDEARM
Cc1cc(=O)oc2c3c(ccc12)OC(=O)C3=N[O-]	ZINC000252620784	364209623	/nfs/dbraw/zinc/20/96/23/364209623.db2.gz	MMAPNSMANRYQBT-UHFFFAOYSA-N	-1	0	245.190	1.199	50	30		BDEARM
O=[N+]([O-])C=N[N-]c1ccccc1[N+](=O)[O-]	ZINC000005514925	182918667	/nfs/dbraw/zinc/91/86/67/182918667.db2.gz	JOBJWTMVQGLHFR-VMPITWQZSA-N	-1	0	210.149	1.227	50	30		BDEARM
[O-]/N=C1/c2ccccc2-c2c1ccc[n+]2[O-]	ZINC000000230010	183318842	/nfs/dbraw/zinc/31/88/42/183318842.db2.gz	QWESWJQGNYBJSA-QBFSEMIESA-N	-1	0	212.208	1.527	50	30		BDEARM
O=C([O-])CCCCCCC1=C[C@H](O)CC1=O	ZINC000004977726	384091265	/nfs/dbraw/zinc/09/12/65/384091265.db2.gz	IXOFUWJRSYPKSX-JTQLQIEISA-N	-1	0	226.272	1.672	50	30		BDEARM
CC[C@@H](CC#N)NC(=O)c1cc(C#N)ccc1[O-]	ZINC000408514551	384268520	/nfs/dbraw/zinc/26/85/20/384268520.db2.gz	QRCMCFZNWRTBJH-JTQLQIEISA-N	-1	0	243.266	1.686	50	30		BDEARM
CC([O-])=C1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000005129913	384483383	/nfs/dbraw/zinc/48/33/83/384483383.db2.gz	XPVYUNWRDXZCIA-UHFFFAOYSA-N	-1	0	233.179	1.649	50	30		BDEARM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000100045326	384613243	/nfs/dbraw/zinc/61/32/43/384613243.db2.gz	CRYHRTAQLCEOEN-UHFFFAOYSA-N	-1	0	236.662	1.614	50	30		BDEARM
O=C([O-])CON=C1C2CC3CC(C2)CC1C3	ZINC000005494934	385133471	/nfs/dbraw/zinc/13/34/71/385133471.db2.gz	GGQSLGNLLRGETL-UHFFFAOYSA-N	-1	0	223.272	1.900	50	30		BDEARM
C=CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000012343873	386410678	/nfs/dbraw/zinc/41/06/78/386410678.db2.gz	NXFKUPQUBYOFGJ-DHZHZOJOSA-N	-1	0	244.250	1.432	50	30		BDEARM
CCCCCCCNc1nncc(=O)[n-]1	ZINC000101094604	387470081	/nfs/dbraw/zinc/47/00/81/387470081.db2.gz	GJXYRMZLGGWZGF-UHFFFAOYSA-N	-1	0	210.281	1.547	50	30		BDEARM
CC([O-])=C1C(=O)C(Cl)=C(Cl)C1=O	ZINC000100858316	387473072	/nfs/dbraw/zinc/47/30/72/387473072.db2.gz	DHGKBTLWJRAQQZ-UHFFFAOYSA-N	-1	0	207.012	1.659	50	30		BDEARM
CC(=O)C(=N[O-])C(=O)Nc1ccc(C)cc1C	ZINC000254319013	388661091	/nfs/dbraw/zinc/66/10/91/388661091.db2.gz	SMGXMOJSLVDNFW-UHFFFAOYSA-N	-1	0	234.255	1.661	50	30		BDEARM
N#Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000015443581	132322933	/nfs/dbraw/zinc/32/29/33/132322933.db2.gz	LWDBBCSJQOJONX-SNVBAGLBSA-N	-1	0	248.257	1.998	50	30		BDEARM
C=CCNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC000086003078	166387561	/nfs/dbraw/zinc/38/75/61/166387561.db2.gz	HAMXQRSEDGZKRF-UTINFBMNSA-N	-1	0	223.272	1.036	50	30		BDEARM
O=C(N=c1[nH]ccs1)c1ncccc1[O-]	ZINC000103492973	410898520	/nfs/dbraw/zinc/89/85/20/410898520.db2.gz	BRHQAEAJKCALRO-BQYQJAHWSA-N	-1	0	221.241	1.492	50	30		BDEARM
C=CCN1c2c(cccc2C)/C(=N/[O-])C1=O	ZINC000046084793	411154585	/nfs/dbraw/zinc/15/45/85/411154585.db2.gz	ALAADJMQCCAQMB-RAXLEYEMSA-N	-1	0	216.240	1.706	50	30		BDEARM
CC1=CC[C@H]([C@]2(C)CC(C(=O)[O-])=NO2)CC1=O	ZINC000012416787	168121608	/nfs/dbraw/zinc/12/16/08/168121608.db2.gz	YDCLGBQQQCVZIB-UFBFGSQYSA-N	-1	0	237.255	1.531	50	30		BDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[N+](=O)[O-]	ZINC000100037911	168135438	/nfs/dbraw/zinc/13/54/38/168135438.db2.gz	SHDODAWQDZOSFQ-SECBINFHSA-N	-1	0	219.200	1.054	50	30		BDEARM
COc1cc2c(cc1F)[n-]cc(C#N)c2=O	ZINC000031777230	175018348	/nfs/dbraw/zinc/01/83/48/175018348.db2.gz	BOQICIDBVOCNQA-UHFFFAOYSA-N	-1	0	218.187	1.547	50	30		BDEARM
CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C	ZINC000084686934	488080190	/nfs/dbraw/zinc/08/01/90/488080190.db2.gz	PYUNTHCIOGKZAE-HTQZYQBOSA-N	-1	0	219.306	1.585	50	30		BDEARM
[O-]N=C(Cn1ccnc1)c1ccccc1	ZINC000252628142	527643538	/nfs/dbraw/zinc/64/35/38/527643538.db2.gz	SJCZWQOTCWDEHH-UHFFFAOYSA-N	-1	0	201.229	1.762	50	30		BDEARM
Cc1cc([O-])c(C(=O)CC(=O)C(F)F)c(=O)o1	ZINC000101385378	178193201	/nfs/dbraw/zinc/19/32/01/178193201.db2.gz	RWJWPVQJCZUWLZ-CLTKARDFSA-N	-1	0	246.165	1.544	50	30		BDEARM
Cc1cc(/C=N/n2cnnc2)c([O-])c([N+](=O)[O-])c1	ZINC000000295618	342682624	/nfs/dbraw/zinc/68/26/24/342682624.db2.gz	SMUYMBZSRSAOJA-YIXHJXPBSA-N	-1	0	247.214	1.083	50	30		BDEARM
Cn1c([O-])cc(-c2ccccc2)c(C#N)c1=O	ZINC000016741455	342914944	/nfs/dbraw/zinc/91/49/44/342914944.db2.gz	CWVFYUUILHZFFE-UHFFFAOYSA-N	-1	0	226.235	1.630	50	30		BDEARM
Cc1nc2c(C#N)c[n-]n2c(=O)c1C(C)C	ZINC000126409148	343902753	/nfs/dbraw/zinc/90/27/53/343902753.db2.gz	UHVUUCAAVHIPKM-UHFFFAOYSA-N	-1	0	216.244	1.326	50	30	in-vitro	BDEARM
CCOc1c([O-])ccc(C#N)c1[N+](=O)[O-]	ZINC000004858384	344743046	/nfs/dbraw/zinc/74/30/46/344743046.db2.gz	DAHBQHFSPKWBIA-UHFFFAOYSA-N	-1	0	208.173	1.571	50	30		BDEARM
C=C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000195567548	347647379	/nfs/dbraw/zinc/64/73/79/347647379.db2.gz	ZLVHBAQATQJPKJ-SSDOTTSWSA-N	-1	0	236.227	1.605	50	30		BDEARM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[O-]	ZINC000017043850	180062321	/nfs/dbraw/zinc/06/23/21/180062321.db2.gz	AOFBMCIQKCEFFI-UHFFFAOYSA-N	-1	0	244.254	1.235	50	30		BDEARM
N#CCCn1[n-]c(-c2ccccc2)cc1=O	ZINC000101362456	191064122	/nfs/dbraw/zinc/06/41/22/191064122.db2.gz	UNTBSYAQSDTGPK-UHFFFAOYSA-N	-1	0	213.240	1.537	50	30		BDEARM
C=C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000044857529	352655541	/nfs/dbraw/zinc/65/55/41/352655541.db2.gz	RFAQWADNTLIWMG-WRWORJQWSA-N	-1	0	227.260	1.540	50	30		BDEARM
C/C(=N\O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000000133633	188098890	/nfs/dbraw/zinc/09/88/90/188098890.db2.gz	BJRIQVPVLCNYSX-NTUHNPAUSA-N	-1	0	232.239	1.442	50	30		BDEARM
C=CCn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000010483047	188104121	/nfs/dbraw/zinc/10/41/21/188104121.db2.gz	JDOPGVCKRBDVHG-UHFFFAOYSA-N	-1	0	230.223	1.281	50	30		BDEARM
CC1(C)[C@@]2(C(=O)[O-])CC[C@]1(C)/C(=N/N)C2	ZINC000012377853	188105256	/nfs/dbraw/zinc/10/52/56/188105256.db2.gz	RHFYQGSVOPZKPI-COCJPQGRSA-N	-1	0	210.277	1.602	50	30		BDEARM
C/C(C[C@@](O)(/C=N/[O-])c1ccccc1)=N\O	ZINC000018203343	188107007	/nfs/dbraw/zinc/10/70/07/188107007.db2.gz	YPDDLKPWPQSEFM-WOFVNKHRSA-N	-1	0	222.244	1.574	50	30		BDEARM
N#Cc1cccc(CSCC(=O)[O-])c1	ZINC000020284364	188108694	/nfs/dbraw/zinc/10/86/94/188108694.db2.gz	ZUTJBZUVXGLAJA-UHFFFAOYSA-N	-1	0	207.254	1.876	50	30		BDEARM
N#Cc1c(O)cc(C(=O)[O-])cc1Br	ZINC000263623283	188192826	/nfs/dbraw/zinc/19/28/26/188192826.db2.gz	GFEHNMYAHHNYRD-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
CC#C[C@@H](CC(=O)[O-])c1ccc(O)cc1	ZINC000095630745	188224194	/nfs/dbraw/zinc/22/41/94/188224194.db2.gz	QFYGPUAIMQUIOO-JTQLQIEISA-N	-1	0	204.225	1.974	50	30		BDEARM
Cc1ccnc(N(C)C[C@H](C)C(=O)[O-])c1C#N	ZINC000135044068	538114550	/nfs/dbraw/zinc/11/45/50/538114550.db2.gz	LFTOMGWUOYXQCL-VIFPVBQESA-N	-1	0	233.271	1.419	50	30		BDEARM
CSc1[n-]c(=O)c([N+](=O)[O-])cc1C#N	ZINC000001428573	353738648	/nfs/dbraw/zinc/73/86/48/353738648.db2.gz	KVVFAGDGXINNEL-UHFFFAOYSA-N	-1	0	211.202	1.289	50	30		BDEARM
N#CCn1c(C(=O)[O-])cc2ccccc21	ZINC000020074757	181050633	/nfs/dbraw/zinc/05/06/33/181050633.db2.gz	SLQUFVJVTDUONL-UHFFFAOYSA-N	-1	0	200.197	1.863	50	30		BDEARM
N#Cc1cccc2cccc(S(=O)(=O)[O-])c12	ZINC000003098861	181144082	/nfs/dbraw/zinc/14/40/82/181144082.db2.gz	HZSVYDSUGKRFRN-UHFFFAOYSA-N	-1	0	233.248	1.958	50	30		BDEARM
N#Cc1cnn(-c2cccc(C(=O)[O-])c2)c1N	ZINC000021961218	181164925	/nfs/dbraw/zinc/16/49/25/181164925.db2.gz	VUTCQUAPFBCQKK-UHFFFAOYSA-N	-1	0	228.211	1.024	50	30		BDEARM
C=C(C)C(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000000036338	355890479	/nfs/dbraw/zinc/89/04/79/355890479.db2.gz	VDZJQLIVYMDZGS-UHFFFAOYSA-N	-1	0	221.212	1.605	50	30	biogenic	BDEARM
O=C([O-])c1ccc(-n2cccc2/C=N/O)cc1	ZINC000004739429	182563968	/nfs/dbraw/zinc/56/39/68/182563968.db2.gz	GDBHMVXXUMNMMX-MDWZMJQESA-N	-1	0	230.223	1.984	50	30		BDEARM
CNC(=S)N=S(=O)([O-])c1ccc(C)cc1	ZINC000071774212	384000893	/nfs/dbraw/zinc/00/08/93/384000893.db2.gz	VCYAHALJFVKKJC-UHFFFAOYSA-N	-1	0	244.341	1.189	50	30		BDEARM
COC(=O)c1cc(C(C)(C)C)[n-]c(=O)c1C#N	ZINC000524728983	384030065	/nfs/dbraw/zinc/03/00/65/384030065.db2.gz	KGCQJCBFNULGOM-UHFFFAOYSA-N	-1	0	234.255	1.743	50	30		BDEARM
O=C([O-])C(=O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000071773993	384177159	/nfs/dbraw/zinc/17/71/59/384177159.db2.gz	LRFVOEZZTNHKES-AATRIKPKSA-N	-1	0	221.168	1.262	50	30		BDEARM
CC(=N\O)/C(=N\[O-])[C@H]1[C@H](CC#N)C1(C)C	ZINC000005165049	384504583	/nfs/dbraw/zinc/50/45/83/384504583.db2.gz	DQRZSLPEMXSNEW-DQOYYTHUSA-N	-1	0	209.249	1.853	50	30		BDEARM
COc1cc(/C=N/[O-])cc([N+](=O)[O-])c1O	ZINC000085409898	384768668	/nfs/dbraw/zinc/76/86/68/384768668.db2.gz	ZLFZPNRIGZTJQX-RUDMXATFSA-N	-1	0	212.161	1.117	50	30		BDEARM
COC(=O)c1cc(=O)c2cccc(C#N)c2[n-]1	ZINC000034364917	385278117	/nfs/dbraw/zinc/27/81/17/385278117.db2.gz	UWUBBAPAMGSTNU-UHFFFAOYSA-N	-1	0	228.207	1.599	50	30		BDEARM
O=C([O-])C#Cc1ccc(Br)cc1	ZINC000000345422	386604062	/nfs/dbraw/zinc/60/40/62/386604062.db2.gz	GZFOMZGALYVQDX-UHFFFAOYSA-N	-1	0	225.041	1.885	50	30		BDEARM
O=C([O-])C(O)=CC(=O)c1cccc([N+](=O)[O-])c1	ZINC000004730093	322813539	/nfs/dbraw/zinc/81/35/39/322813539.db2.gz	MABXQQBNSYRFTB-UITAMQMPSA-N	-1	0	237.167	1.304	50	30		BDEARM
N#Cc1cnc(N2CCCCC2)[n-]c1=O	ZINC000018219586	132323963	/nfs/dbraw/zinc/32/39/63/132323963.db2.gz	MOYGHPYGDRPHTI-UHFFFAOYSA-N	-1	0	204.233	1.044	50	30		BDEARM
Cc1ccc(C(=O)[O-])c(N2CCC[C@@H](C#N)C2)n1	ZINC000032587027	132335502	/nfs/dbraw/zinc/33/55/02/132335502.db2.gz	BJDOBGJPUDABSJ-JTQLQIEISA-N	-1	0	245.282	1.828	50	30		BDEARM
CCOC(=O)/C(=N\[O-])Nc1ccccc1	ZINC000018029207	170181042	/nfs/dbraw/zinc/18/10/42/170181042.db2.gz	RDWUNLUGIKWULB-UHFFFAOYSA-N	-1	0	208.217	1.449	50	30		BDEARM
CCOC(=O)c1cc(C(C)(C)C)[n-]c(=O)c1C#N	ZINC000008648834	170290908	/nfs/dbraw/zinc/29/09/08/170290908.db2.gz	ATDUMDBRIKHOSH-UHFFFAOYSA-N	-1	0	248.282	1.721	50	30		BDEARM
CN(CC#N)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000170642116	172600329	/nfs/dbraw/zinc/60/03/29/172600329.db2.gz	XMXPNIUJRKIMTM-UHFFFAOYSA-N	-1	0	247.279	1.712	50	30		BDEARM
COc1cc([N+](=O)[O-])cc(/C=N/[O-])c1O	ZINC000002529994	175017645	/nfs/dbraw/zinc/01/76/45/175017645.db2.gz	GAPAKDLVAHSEQY-RUDMXATFSA-N	-1	0	212.161	1.117	50	30		BDEARM
C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC000000100906	175643823	/nfs/dbraw/zinc/64/38/23/175643823.db2.gz	VNRJOHQSSZYWBV-SECBINFHSA-N	-1	0	246.266	1.998	50	30		BDEARM
C#CC[C@@H](NC(=O)Cc1ccccc1C)C(=O)[O-]	ZINC000149833642	583799110	/nfs/dbraw/zinc/79/91/10/583799110.db2.gz	XCVKIPLQMGAEPZ-GFCCVEGCSA-N	-1	0	245.278	1.130	50	30		BDEARM
O=C1C=C2CN(C(=S)[S-])CC[C@H]2S1	ZINC000725375044	710755842	/nfs/dbraw/zinc/75/58/42/710755842.db2.gz	YHPPNVNNKLDTEQ-ZCFIWIBFSA-N	-1	0	231.367	1.475	50	30		BDEARM
Cc1ccccc1/C=N/Nc1nc(=O)c(C)n[n-]1	ZINC000003947308	179244817	/nfs/dbraw/zinc/24/48/17/179244817.db2.gz	ACLSZGSMPCYEEN-NTUHNPAUSA-N	-1	0	243.270	1.228	50	30		BDEARM
C=CCCS(=O)(=O)[N-]c1cnoc1C	ZINC000132572433	166290763	/nfs/dbraw/zinc/29/07/63/166290763.db2.gz	YYKONZJARJSLFI-UHFFFAOYSA-N	-1	0	216.262	1.301	50	30		BDEARM
Cc1n[n-]c(NN=C2CCCCCCC2)nc1=O	ZINC000006210893	179837400	/nfs/dbraw/zinc/83/74/00/179837400.db2.gz	UZFBLUGEWOGYRN-UHFFFAOYSA-N	-1	0	249.318	1.986	50	30		BDEARM
Cc1nc2c(C#N)c[n-]n2c(=O)c1Cl	ZINC000005387167	180062114	/nfs/dbraw/zinc/06/21/14/180062114.db2.gz	YJUCXJQRWBZXFA-UHFFFAOYSA-N	-1	0	208.608	1.268	50	30		BDEARM
N#CCc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000000148561	188099023	/nfs/dbraw/zinc/09/90/23/188099023.db2.gz	JJSKLAYKLABANU-UHFFFAOYSA-N	-1	0	246.266	1.946	50	30		BDEARM
CC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000023410422	188109584	/nfs/dbraw/zinc/10/95/84/188109584.db2.gz	URECKFUGFWSKDB-UXBLZVDNSA-N	-1	0	223.188	1.467	50	30		BDEARM
CC(=O)[N-]S(=O)(=O)CCC(C)(C)C	ZINC000089962753	188144147	/nfs/dbraw/zinc/14/41/47/188144147.db2.gz	FWFPPEBPVXBAFP-UHFFFAOYSA-N	-1	0	207.295	1.729	50	30		BDEARM
CC#CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000097235729	188224648	/nfs/dbraw/zinc/22/46/48/188224648.db2.gz	LJVYKYOXAOCOFR-UHFFFAOYSA-N	-1	0	234.211	1.054	50	30		BDEARM
C=C(C)C[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000186401185	353868893	/nfs/dbraw/zinc/86/88/93/353868893.db2.gz	YOTVYHIKYBJCON-QMMMGPOBSA-N	-1	0	243.270	1.694	50	30		BDEARM
N#Cc1c(C(=O)[O-])cc(C2CC2)[nH]c1=S	ZINC000004205365	181072371	/nfs/dbraw/zinc/07/23/71/181072371.db2.gz	JODNYZGIGVLZGQ-UHFFFAOYSA-N	-1	0	220.253	1.818	50	30		BDEARM
N#Cc1cc(C(=O)c2ccccc2[O-])coc1=O	ZINC000003262766	181085068	/nfs/dbraw/zinc/08/50/68/181085068.db2.gz	AIHLUWFTTYHPHC-UHFFFAOYSA-N	-1	0	241.202	1.448	50	30		BDEARM
N#Cc1nc(C(=O)[O-])c(O)cc1-c1ccco1	ZINC000067870512	181166801	/nfs/dbraw/zinc/16/68/01/181166801.db2.gz	YMYCFVAWARRKNU-UHFFFAOYSA-N	-1	0	230.179	1.617	50	30	biogenic,in-vitro	BDEARM
C=CCOC(=O)Nc1cc(O)cc(C(=O)[O-])c1	ZINC000012370907	355837239	/nfs/dbraw/zinc/83/72/39/355837239.db2.gz	MYOCYAGTJQROGX-UHFFFAOYSA-N	-1	0	237.211	1.825	50	30		BDEARM
Cc1occc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026271442	356990181	/nfs/dbraw/zinc/99/01/81/356990181.db2.gz	RCRMMUXSDOQIOX-UHFFFAOYSA-N	-1	0	241.210	1.307	50	30		BDEARM
O=C(C(=N[O-])c1ccco1)c1ccco1	ZINC000252627350	364351684	/nfs/dbraw/zinc/35/16/84/364351684.db2.gz	RSLKNHHWFJLREX-UHFFFAOYSA-N	-1	0	205.169	1.934	50	30		BDEARM
O=C([O-])c1cccc(NC(=O)CS)c1	ZINC000000454078	182005984	/nfs/dbraw/zinc/00/59/84/182005984.db2.gz	CFCZEUSSNNHZOJ-UHFFFAOYSA-N	-1	0	211.242	1.253	50	30		BDEARM
O=[N+]([O-])C=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000100023645	182031923	/nfs/dbraw/zinc/03/19/23/182031923.db2.gz	XQEQTGNEBYPORA-UHFFFAOYSA-N	-1	0	210.145	1.054	50	30		BDEARM
O=C(/C=N/[O-])Nc1ccc(F)c(F)c1F	ZINC000038867497	384097936	/nfs/dbraw/zinc/09/79/36/384097936.db2.gz	DSLHOZVFNXOCDR-KGVSQERTSA-N	-1	0	218.134	1.502	50	30		BDEARM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)[O-]	ZINC000095347541	384368843	/nfs/dbraw/zinc/36/88/43/384368843.db2.gz	MIRBMHHZLRQLQM-JTQLQIEISA-N	-1	0	213.233	1.333	50	30		BDEARM
O=C([O-])c1ccccc1NC=C[N+](=O)[O-]	ZINC000100164122	384621645	/nfs/dbraw/zinc/62/16/45/384621645.db2.gz	RJUMNVLNDMQVJW-BJMVGYQFSA-N	-1	0	208.173	1.364	50	30		BDEARM
COc1cc(OC)cc(C(=O)NCC(=O)[O-])c1	ZINC000082069840	384644238	/nfs/dbraw/zinc/64/42/38/384644238.db2.gz	UFBSPOIKQBQXCT-UHFFFAOYSA-N	-1	0	239.227	1.093	50	30		BDEARM
CCc1c(C)nc2c(C#N)c(C)[n-]n2c1=O	ZINC000018188707	384976045	/nfs/dbraw/zinc/97/60/45/384976045.db2.gz	KMUIIAQSGDHUBP-UHFFFAOYSA-N	-1	0	216.244	1.486	50	30		BDEARM
O=C([O-])C(=O)/C=C\c1ccc(F)c(F)c1	ZINC000216607635	385868662	/nfs/dbraw/zinc/86/86/62/385868662.db2.gz	ZPKURAUIQQBQCX-RQOWECAXSA-N	-1	0	212.151	1.632	50	30		BDEARM
Cn1nc(C(F)(F)F)c(/C=N/[O-])c1Cl	ZINC000001391139	386230511	/nfs/dbraw/zinc/23/05/11/386230511.db2.gz	DLPHSMVZPMWKEM-BIIKFXOESA-N	-1	0	227.573	1.900	50	30		BDEARM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(F)c1	ZINC000089286297	387127621	/nfs/dbraw/zinc/12/76/21/387127621.db2.gz	LJPPYBQWDOOEKB-UHFFFAOYSA-N	-1	0	243.259	1.646	50	30		BDEARM
CC(=O)Nc1ccc([O-])c(C(=O)/C=C/N(C)C)c1	ZINC000026461434	387377934	/nfs/dbraw/zinc/37/79/34/387377934.db2.gz	AGGMFSFGXUUSRA-VOTSOKGWSA-N	-1	0	248.282	1.609	50	30		BDEARM
C=CCCC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000054399339	388436796	/nfs/dbraw/zinc/43/67/96/388436796.db2.gz	IGVCLRHXEYJCMU-SECBINFHSA-N	-1	0	213.277	1.568	50	30		BDEARM
O=C(/C=N/[O-])CCCCCCN1CCOCC1	ZINC000020160748	388756146	/nfs/dbraw/zinc/75/61/46/388756146.db2.gz	MNERSNSJDXXISQ-ACCUITESSA-N	-1	0	242.319	1.298	50	30		BDEARM
CCOC(=O)/C(=N\[O-])C(=O)c1ccccc1	ZINC000016682059	170180832	/nfs/dbraw/zinc/18/08/32/170180832.db2.gz	XTZATYMLMXUNQW-XFXZXTDPSA-N	-1	0	221.212	1.263	50	30		BDEARM
CCOC(=O)C([O-])=C(C#N)c1nc(C)cs1	ZINC000003219999	170184026	/nfs/dbraw/zinc/18/40/26/170184026.db2.gz	CQPQAHDNUJAXSP-ZETCQYMHSA-N	-1	0	238.268	1.191	50	30		BDEARM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccoc1	ZINC000097107184	171356934	/nfs/dbraw/zinc/35/69/34/171356934.db2.gz	AZGNYLLLMQFBBQ-ZETCQYMHSA-N	-1	0	231.273	1.713	50	30		BDEARM
COc1ccc(-c2ccc(C#N)c(=O)[n-]2)cc1	ZINC000011902819	175032297	/nfs/dbraw/zinc/03/22/97/175032297.db2.gz	YJDWXUFFZLKITF-UHFFFAOYSA-N	-1	0	226.235	1.922	50	30		BDEARM
COc1ccc(C(=O)C=C(O)C(=O)[O-])cc1	ZINC000004864443	175046134	/nfs/dbraw/zinc/04/61/34/175046134.db2.gz	DXCCYGYXIGAHGX-TWGQIWQCSA-N	-1	0	222.196	1.248	50	30		BDEARM
COc1ccc([N-]N=C(C#N)C#N)c([N+](=O)[O-])c1	ZINC000004389483	175153637	/nfs/dbraw/zinc/15/36/37/175153637.db2.gz	COLXIZNKGPZCLV-UHFFFAOYSA-N	-1	0	245.198	1.418	50	30		BDEARM
COc1ccc(OC)c(C([O-])=CC=O)c1	ZINC000101836418	175164172	/nfs/dbraw/zinc/16/41/72/175164172.db2.gz	FHFZBORGXRBTDG-UHFFFAOYSA-N	-1	0	208.213	1.476	50	30		BDEARM
COc1ccc2c(c1)CCC(C=O)=C2[O-]	ZINC000001654192	175209702	/nfs/dbraw/zinc/20/97/02/175209702.db2.gz	NTVKOYKLIKUWHM-SECBINFHSA-N	-1	0	204.225	1.639	50	30		BDEARM
C[C@@]1(C#N)CCCN(Cc2c[nH]nc2C(=O)[O-])C1	ZINC000670452153	487504541	/nfs/dbraw/zinc/50/45/41/487504541.db2.gz	NBKGTTBCMMCFLS-LBPRGKRZSA-N	-1	0	248.286	1.234	50	30		BDEARM
O=CC=C([O-])c1ccc2c(c1)OCCO2	ZINC000101835625	582458112	/nfs/dbraw/zinc/45/81/12/582458112.db2.gz	ASWCUCBRLNPBHW-UHFFFAOYSA-N	-1	0	206.197	1.230	50	30		BDEARM
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[O-]	ZINC000116639300	518838492	/nfs/dbraw/zinc/83/84/92/518838492.db2.gz	DAKRJQCYDKDOLN-MRVPVSSYSA-N	-1	0	242.275	1.658	50	30		BDEARM
O=C1C=C2CN(C(=S)[S-])CC[C@@H]2S1	ZINC000725375040	710756066	/nfs/dbraw/zinc/75/60/66/710756066.db2.gz	YHPPNVNNKLDTEQ-LURJTMIESA-N	-1	0	231.367	1.475	50	30		BDEARM
Cc1ccc(-n2[n-]nc(C#N)c2=O)cc1	ZINC000006488014	178349279	/nfs/dbraw/zinc/34/92/79/178349279.db2.gz	HDHMAMWEFPMKKE-UHFFFAOYSA-N	-1	0	200.201	1.153	50	30		BDEARM
CCCCCCCC(=O)NCC(=O)[O-]	ZINC000003075376	342730018	/nfs/dbraw/zinc/73/00/18/342730018.db2.gz	SAVLIIGUQOSOEP-UHFFFAOYSA-N	-1	0	201.266	1.548	50	30	endogenous,in-man	BDEARM
COP(=O)(C[C@@H](CCC#N)CC(=O)[O-])OC	ZINC000005915149	346633076	/nfs/dbraw/zinc/63/30/76/346633076.db2.gz	HWSUEGNBBNSWBQ-QMMMGPOBSA-N	-1	0	249.203	1.867	50	30		BDEARM
N#CC(C#N)=NNc1ccccc1C(=O)[O-]	ZINC000000272282	187391588	/nfs/dbraw/zinc/39/15/88/187391588.db2.gz	RQHWLNIWNUNYDJ-UHFFFAOYSA-N	-1	0	214.184	1.200	50	30		BDEARM
CC[C@H](Oc1ccccc1)C(=O)Nc1nn[nH]n1	ZINC000008325756	350138242	/nfs/dbraw/zinc/13/82/42/350138242.db2.gz	FERNKODRBWPYEQ-VIFPVBQESA-N	-1	0	247.258	1.645	50	30		BDEARM
CC(=O)N(C)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000100437029	191063197	/nfs/dbraw/zinc/06/31/97/191063197.db2.gz	MRUZFCJWOGXTMD-UHFFFAOYSA-N	-1	0	245.234	1.314	50	30		BDEARM
Cc1[n-]n2c(nc(C(F)(F)F)cc2=O)c1C#N	ZINC000043828040	180394809	/nfs/dbraw/zinc/39/48/09/180394809.db2.gz	BSEBSIUNQJGBIX-UHFFFAOYSA-N	-1	0	242.160	1.634	50	30		BDEARM
Cc1cc([N-]N=C2C(=O)CC(C)(C)CC2=O)no1	ZINC000000143019	191108226	/nfs/dbraw/zinc/10/82/26/191108226.db2.gz	OBGPOXFWUIKVTD-UHFFFAOYSA-N	-1	0	249.270	1.709	50	30		BDEARM
C=CCn1c2ccccc2nc1[P@@](C)(=O)[O-]	ZINC000169293896	188078842	/nfs/dbraw/zinc/07/88/42/188078842.db2.gz	UTQIUQMVVNEFAV-UHFFFAOYSA-N	-1	0	236.211	1.748	50	30		BDEARM
CC1(C)CCC(=O)C2=C1C(=O)C[C@@H]2CC(=O)[O-]	ZINC000000393025	188099520	/nfs/dbraw/zinc/09/95/20/188099520.db2.gz	ONJVZUQGBSNDBS-SSDOTTSWSA-N	-1	0	236.267	1.736	50	30		BDEARM
CC(C)(CO)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000017424364	188106906	/nfs/dbraw/zinc/10/69/06/188106906.db2.gz	LFUQGVMMWIATOD-WUXMJOGZSA-N	-1	0	238.243	1.490	50	30		BDEARM
Cc1cc(C)n([C@@H](C(=O)[O-])C(C)C)c(=O)c1C#N	ZINC000013654363	188106138	/nfs/dbraw/zinc/10/61/38/188106138.db2.gz	WNEHVRVYXFLQQC-LLVKDONJSA-N	-1	0	248.282	1.619	50	30		BDEARM
N#Cc1ccc(Nc2nccc(C(=O)[O-])n2)cc1	ZINC000076818174	188134975	/nfs/dbraw/zinc/13/49/75/188134975.db2.gz	LTAPRASFDZZNLW-UHFFFAOYSA-N	-1	0	240.222	1.790	50	30		BDEARM
Cc1ccc2occ(/C=N/O)c(=O)c2c1	ZINC000012341736	188164426	/nfs/dbraw/zinc/16/44/26/188164426.db2.gz	ZMADWYYNFSUAMK-LFYBBSHMSA-N	-1	0	203.197	1.910	50	30		BDEARM
C=C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000044857531	188216648	/nfs/dbraw/zinc/21/66/48/188216648.db2.gz	RFAQWADNTLIWMG-HQJQHLMTSA-N	-1	0	227.260	1.540	50	30		BDEARM
N#CCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000003884640	181034467	/nfs/dbraw/zinc/03/44/67/181034467.db2.gz	FKEVVYBTPHMLAT-UHFFFAOYSA-N	-1	0	204.185	1.237	50	30		BDEARM
N#C[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000019730252	181063992	/nfs/dbraw/zinc/06/39/92/181063992.db2.gz	KPXHBQWNZBGRMO-QMMMGPOBSA-N	-1	0	219.196	1.182	50	30		BDEARM
N#Cc1cc(C(=O)[O-])ccc1N1CCCC1	ZINC000068591688	181084684	/nfs/dbraw/zinc/08/46/84/181084684.db2.gz	CZKUWDUKUYKZFL-UHFFFAOYSA-N	-1	0	216.240	1.857	50	30		BDEARM
N#Cc1ccsc1NC(=O)/C=C/C(=O)[O-]	ZINC000012340353	181160563	/nfs/dbraw/zinc/16/05/63/181160563.db2.gz	VBGMLKGGJPAWLM-OWOJBTEDSA-N	-1	0	222.225	1.199	50	30		BDEARM
N#Cc1cn(-c2ccc(Cl)cc2)c(=O)[n-]c1=O	ZINC000000166407	181161767	/nfs/dbraw/zinc/16/17/67/181161767.db2.gz	UTWHPUGRDCGNEG-UHFFFAOYSA-N	-1	0	247.641	1.051	50	30		BDEARM
C=C(Cl)CNC(=O)c1cccc(O)c1	ZINC000096003838	538613192	/nfs/dbraw/zinc/61/31/92/538613192.db2.gz	JDEXIJIEGPCUSI-UHFFFAOYSA-N	-1	0	211.648	1.875	50	30		BDEARM
CCCCCCCCNC(=O)CC(=O)[O-]	ZINC000126011262	358546178	/nfs/dbraw/zinc/54/61/78/358546178.db2.gz	HBVNXRIQVTWNJQ-UHFFFAOYSA-N	-1	0	215.293	1.938	50	30		BDEARM
Cc1c(C#N)c(=O)oc2cc([O-])ccc12	ZINC000000058013	369353650	/nfs/dbraw/zinc/35/36/50/369353650.db2.gz	GLGBPOSQDAZSIZ-UHFFFAOYSA-N	-1	0	201.181	1.679	50	30		BDEARM
COCc1c(C#N)c(=O)[n-]c(C)c1[N+](=O)[O-]	ZINC000009058910	370409534	/nfs/dbraw/zinc/40/95/34/370409534.db2.gz	FDZPYSHPLURJEA-UHFFFAOYSA-N	-1	0	223.188	1.022	50	30		BDEARM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000000257855	383985523	/nfs/dbraw/zinc/98/55/23/383985523.db2.gz	QXFGFBHGALLBRK-UHFFFAOYSA-N	-1	0	242.300	1.570	50	30		BDEARM
O=C(/C=N/[O-])Nc1ccc(Cl)cc1F	ZINC000047843785	384467303	/nfs/dbraw/zinc/46/73/03/384467303.db2.gz	PMHDWIOOTCBSKU-NYYWCZLTSA-N	-1	0	216.599	1.878	50	30		BDEARM
C=CCNc1nnc(Cc2ccccc2)c(=O)[n-]1	ZINC000005154547	384522374	/nfs/dbraw/zinc/52/23/74/384522374.db2.gz	AGKCBNONKRGJRK-UHFFFAOYSA-N	-1	0	242.282	1.354	50	30		BDEARM
Cn1ccnc1C/C(=N\[O-])c1ccccc1	ZINC000100269085	384631921	/nfs/dbraw/zinc/63/19/21/384631921.db2.gz	XWYIBTNAXPAQLG-SDNWHVSQSA-N	-1	0	215.256	1.841	50	30		BDEARM
Cc1cc(=O)n(CC(C)C)c([O-])c1C#N	ZINC000100458985	384631967	/nfs/dbraw/zinc/63/19/67/384631967.db2.gz	HTIHRQLBVBLYSO-UHFFFAOYSA-N	-1	0	206.245	1.390	50	30		BDEARM
Cc1cc(C)cc(C(=O)NCC(=O)[O-])c1	ZINC000082071034	384644980	/nfs/dbraw/zinc/64/49/80/384644980.db2.gz	GXECYTYPWZCYKI-UHFFFAOYSA-N	-1	0	207.229	1.693	50	30		BDEARM
Cc1nsc(N(C)C[C@@H](C)C(=O)[O-])c1C#N	ZINC000263561069	135360248	/nfs/dbraw/zinc/36/02/48/135360248.db2.gz	RNJWHQWKRSHJJT-ZCFIWIBFSA-N	-1	0	239.300	1.480	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)c1cscc1C	ZINC000086815100	166326332	/nfs/dbraw/zinc/32/63/32/166326332.db2.gz	YGHUBCPDKSWKPZ-UHFFFAOYSA-N	-1	0	239.296	1.769	50	30		BDEARM
C=CCN(CC=C)c1cc(C(=O)[O-])ccn1	ZINC000019844485	166337811	/nfs/dbraw/zinc/33/78/11/166337811.db2.gz	DHKGNYROUPULOG-UHFFFAOYSA-N	-1	0	218.256	1.958	50	30		BDEARM
C=CCNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000006731131	166392042	/nfs/dbraw/zinc/39/20/42/166392042.db2.gz	HAMXQRSEDGZKRF-RGOKHQFPSA-N	-1	0	223.272	1.036	50	30		BDEARM
C=CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000065356670	411191182	/nfs/dbraw/zinc/19/11/82/411191182.db2.gz	KEMMBAWJCLAWOK-QMMMGPOBSA-N	-1	0	229.276	1.788	50	30		BDEARM
CCOC(=O)C=C([O-])c1cccc(C#N)c1	ZINC000021986614	170197083	/nfs/dbraw/zinc/19/70/83/170197083.db2.gz	BKFPVHXPYUFQHT-UHFFFAOYSA-N	-1	0	217.224	1.694	50	30		BDEARM
CCOC(=O)c1cc(C#N)c(C)[n-]c1=O	ZINC000066324203	170291101	/nfs/dbraw/zinc/29/11/01/170291101.db2.gz	IOFDGVXYARBFOQ-UHFFFAOYSA-N	-1	0	206.201	1.144	50	30		BDEARM
CN(C)/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000000140080	172349598	/nfs/dbraw/zinc/34/95/98/172349598.db2.gz	ORGUJABCFROMBU-AATRIKPKSA-N	-1	0	209.220	1.789	50	30		BDEARM
CN(C)/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000034622933	172349968	/nfs/dbraw/zinc/34/99/68/172349968.db2.gz	KSHPNEYOOPCWGC-AATRIKPKSA-N	-1	0	209.220	1.789	50	30		BDEARM
COC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000019702864	174013039	/nfs/dbraw/zinc/01/30/39/174013039.db2.gz	JNBVXNSWFXSRGS-UHFFFAOYSA-N	-1	0	204.181	1.482	50	30	biogenic	BDEARM
COc1ccc(/C=N/OCC(=O)[O-])cc1	ZINC000003167350	175048944	/nfs/dbraw/zinc/04/89/44/175048944.db2.gz	SHNNDTPBBAXFPC-IZZDOVSWSA-N	-1	0	209.201	1.130	50	30		BDEARM
O=C(C=N[O-])Nc1ccc(F)c(F)c1F	ZINC000242464014	526318646	/nfs/dbraw/zinc/31/86/46/526318646.db2.gz	DSLHOZVFNXOCDR-UHFFFAOYSA-N	-1	0	218.134	1.502	50	30		BDEARM
Cc1ccc(C(=O)[N-]S(C)(=O)=O)cc1Cl	ZINC000078410935	178351885	/nfs/dbraw/zinc/35/18/85/178351885.db2.gz	OMGUUVDJKFGFON-UHFFFAOYSA-N	-1	0	247.703	1.913	50	30		BDEARM
O=c1c2ccccc2[n-]c(=S)n1CCS	ZINC000006509560	342778920	/nfs/dbraw/zinc/77/89/20/342778920.db2.gz	NKJDZUAGLHKAHH-UHFFFAOYSA-N	-1	0	238.337	1.989	50	30		BDEARM
CC(C)N1C=C(C(=O)[O-])C(=O)C2=CCC=C[C@H]21	ZINC000584904466	342791770	/nfs/dbraw/zinc/79/17/70/342791770.db2.gz	MLYWEMXZEYVBLB-MWLCHTKSSA-N	-1	0	233.267	1.359	50	30		BDEARM
CN(CCC#N)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000005573622	346258163	/nfs/dbraw/zinc/25/81/63/346258163.db2.gz	SJCDYUQSVWIFTQ-VHSXEESVSA-N	-1	0	238.287	1.249	50	30		BDEARM
O=C([O-])C(O)=CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004730304	187470081	/nfs/dbraw/zinc/47/00/81/187470081.db2.gz	CTMHHZPDLMVETI-UITAMQMPSA-N	-1	0	237.167	1.304	50	30		BDEARM
Cc1ccc2nc(/C(C#N)=N/[O-])[nH]c2c1	ZINC000013130099	188106399	/nfs/dbraw/zinc/10/63/99/188106399.db2.gz	IPEUWXJGNKVUTC-NTEUORMPSA-N	-1	0	200.201	1.573	50	30		BDEARM
CC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000097083170	188148785	/nfs/dbraw/zinc/14/87/85/188148785.db2.gz	WQGHPHMHKIHCKG-UHFFFAOYSA-N	-1	0	245.304	1.204	50	30		BDEARM
C=CCCC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000054399681	188177317	/nfs/dbraw/zinc/17/73/17/188177317.db2.gz	FMJLKSOLUYVAOX-NSHDSACASA-N	-1	0	211.261	1.322	50	30		BDEARM
Cc1cccc(/C=N\Nc2nc(=O)c(C)n[n-]2)c1	ZINC000031843539	188181562	/nfs/dbraw/zinc/18/15/62/188181562.db2.gz	LWBWIOQAPJPBHT-QPEQYQDCSA-N	-1	0	243.270	1.228	50	30		BDEARM
CC(=NOCC(=O)[O-])c1ccc(C)cc1	ZINC000252448008	363254768	/nfs/dbraw/zinc/25/47/68/363254768.db2.gz	RCSVLSZANULHIO-UHFFFAOYSA-N	-1	0	207.229	1.820	50	30		BDEARM
N#CCn1cc(C(=O)[O-])c2ccccc21	ZINC000020074574	181051390	/nfs/dbraw/zinc/05/13/90/181051390.db2.gz	JQXCOXRTYSEJHR-UHFFFAOYSA-N	-1	0	200.197	1.863	50	30		BDEARM
N#C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000019730253	181055832	/nfs/dbraw/zinc/05/58/32/181055832.db2.gz	KPXHBQWNZBGRMO-MRVPVSSYSA-N	-1	0	219.196	1.182	50	30		BDEARM
N#Cc1c(N)nc2ccccc2c1C(=O)[O-]	ZINC000002164668	181077566	/nfs/dbraw/zinc/07/75/66/181077566.db2.gz	OIYOFBQHVUSIKX-UHFFFAOYSA-N	-1	0	213.196	1.387	50	30		BDEARM
C=CCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000001604340	166390976	/nfs/dbraw/zinc/39/09/76/166390976.db2.gz	SLRAUCUDDYGPJP-DTWKUNHWSA-N	-1	0	211.261	1.180	50	30		BDEARM
C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000002506598	355923225	/nfs/dbraw/zinc/92/32/25/355923225.db2.gz	FVBZCQLQINXRAC-LLVKDONJSA-N	-1	0	249.266	1.595	50	30		BDEARM
Cc1nnc(N=NC(C)C(C)(C)C)[n-]c1=O	ZINC000252679464	366259942	/nfs/dbraw/zinc/25/99/42/366259942.db2.gz	MVHSBWSXNZNZBV-UHFFFAOYSA-N	-1	0	223.280	1.720	50	30		BDEARM
N#Cc1ccc(-c2cnc(C(=O)[O-])nc2)s1	ZINC000675069915	538499112	/nfs/dbraw/zinc/49/91/12/538499112.db2.gz	MIWKAVDAIJMHDQ-UHFFFAOYSA-N	-1	0	231.236	1.775	50	30		BDEARM
COC(=O)C=C([O-])c1ccc(C#N)cc1	ZINC000002575882	371595343	/nfs/dbraw/zinc/59/53/43/371595343.db2.gz	JLWWAGHOXGSRRT-UHFFFAOYSA-N	-1	0	203.197	1.304	50	30		BDEARM
O=C([O-])C#Cc1ccccc1Br	ZINC000070835548	182416676	/nfs/dbraw/zinc/41/66/76/182416676.db2.gz	RULVBTCYKFJYTQ-UHFFFAOYSA-N	-1	0	225.041	1.885	50	30		BDEARM
CC1(C)c2nonc2/C(=N/[O-])C(C)(C)N1N=O	ZINC000004728713	384241914	/nfs/dbraw/zinc/24/19/14/384241914.db2.gz	MWDSCERYDOTLFK-POHAHGRESA-N	-1	0	239.235	1.259	50	30		BDEARM
CC(=N\O)/C(=N\[O-])[C@@H]1[C@@H](CC#N)C1(C)C	ZINC000005165050	384502570	/nfs/dbraw/zinc/50/25/70/384502570.db2.gz	DQRZSLPEMXSNEW-NQYUMRSUSA-N	-1	0	209.249	1.853	50	30		BDEARM
NC(=CC(=O)c1ccccc1[O-])C(F)(F)F	ZINC000017730576	384491891	/nfs/dbraw/zinc/49/18/91/384491891.db2.gz	SIGTVEJJSPEBML-UITAMQMPSA-N	-1	0	231.173	1.980	50	30	biogenic	BDEARM
C=C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002583196	384569132	/nfs/dbraw/zinc/56/91/32/384569132.db2.gz	BYHZVVBUNVWRGH-LURJTMIESA-N	-1	0	201.222	1.150	50	30		BDEARM
CC(C)(C)OC(=O)N(CCC#N)CC(=O)[O-]	ZINC000098213377	384605028	/nfs/dbraw/zinc/60/50/28/384605028.db2.gz	KRSMAQOZWBFLTM-UHFFFAOYSA-N	-1	0	228.248	1.222	50	30		BDEARM
O=[N+]([O-])c1cccc(/C(Cl)=N/[O-])c1	ZINC000100009706	384609217	/nfs/dbraw/zinc/60/92/17/384609217.db2.gz	LSAGTJSJWCRWAZ-CLFYSBASSA-N	-1	0	200.581	1.969	50	30		BDEARM
COC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000100062592	384614162	/nfs/dbraw/zinc/61/41/62/384614162.db2.gz	MHXYWUNYSPAWFW-SECBINFHSA-N	-1	0	203.197	1.182	50	30		BDEARM
CCCCCCCCC[C@H](O)[C@H](O)C(=O)[O-]	ZINC000101446943	384674060	/nfs/dbraw/zinc/67/40/60/384674060.db2.gz	JJIJQULYODNGKJ-QWRGUYRKSA-N	-1	0	232.320	1.934	50	30		BDEARM
NC(=CC(=O)c1ccccc1[O-])C(F)(F)F	ZINC000100420084	384639522	/nfs/dbraw/zinc/63/95/22/384639522.db2.gz	SIGTVEJJSPEBML-WEVVVXLNSA-N	-1	0	231.173	1.980	50	30		BDEARM
Cc1n[n-]c(NN=C2CCCCCC2)nc1=O	ZINC000006210882	387586271	/nfs/dbraw/zinc/58/62/71/387586271.db2.gz	TXSGOWLSBHPZOD-UHFFFAOYSA-N	-1	0	235.291	1.595	50	30		BDEARM
Cc1nnc(NN=Cc2cccc(F)c2)[n-]c1=O	ZINC000253532014	388610863	/nfs/dbraw/zinc/61/08/63/388610863.db2.gz	ISBGGTIHUJXRHM-UHFFFAOYSA-N	-1	0	247.233	1.471	50	30		BDEARM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cscn1	ZINC000097107173	388832599	/nfs/dbraw/zinc/83/25/99/388832599.db2.gz	SQPCINJOTXPVTJ-ZCFIWIBFSA-N	-1	0	248.329	1.576	50	30		BDEARM
N#Cc1ccnc(N2CCC(C(=O)[O-])CC2)c1	ZINC000022174927	132332606	/nfs/dbraw/zinc/33/26/06/132332606.db2.gz	HCFJWQIXCLWACM-UHFFFAOYSA-N	-1	0	231.255	1.254	50	30		BDEARM
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000043395251	132352784	/nfs/dbraw/zinc/35/27/84/132352784.db2.gz	TXYIAPGHRVSOLZ-LLVKDONJSA-N	-1	0	245.282	1.563	50	30		BDEARM
COC(=O)N=c1[n-]nc(-c2ccco2)s1	ZINC000016956128	397874922	/nfs/dbraw/zinc/87/49/22/397874922.db2.gz	JIRHDKMEABUZSL-UHFFFAOYSA-N	-1	0	225.229	1.990	50	30		BDEARM
C=CCNC(=O)c1ccccc1OCC(=O)[O-]	ZINC000001689809	166393927	/nfs/dbraw/zinc/39/39/27/166393927.db2.gz	IHBWXJXQXPFUAE-UHFFFAOYSA-N	-1	0	235.239	1.066	50	30		BDEARM
CC[C@@H](CC#N)NC(=O)c1ccc(F)cc1[O-]	ZINC000183913244	170812066	/nfs/dbraw/zinc/81/20/66/170812066.db2.gz	LTGLXMLNUKCFJA-VIFPVBQESA-N	-1	0	236.246	1.953	50	30		BDEARM
CN(C)/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000000140083	172349409	/nfs/dbraw/zinc/34/94/09/172349409.db2.gz	QFRUJIKZHSPJTR-ONEGZZNKSA-N	-1	0	227.210	1.928	50	30		BDEARM
COc1ccc(/C(C)=N/OCC(=O)[O-])cc1	ZINC000012362704	175045330	/nfs/dbraw/zinc/04/53/30/175045330.db2.gz	DAWDYFTXVQFRME-XYOKQWHBSA-N	-1	0	223.228	1.520	50	30		BDEARM
COc1ccc(C(=O)CC(=O)C(=O)[O-])cc1	ZINC000100316664	175052150	/nfs/dbraw/zinc/05/21/50/175052150.db2.gz	ORNVKJLDTIFUFH-POHAHGRESA-N	-1	0	222.196	1.404	50	30		BDEARM
COc1ccc2c(c1)C([O-])=C(C=O)C(C)(C)O2	ZINC000002944867	175206460	/nfs/dbraw/zinc/20/64/60/175206460.db2.gz	GPHRKCYLXTYLNI-SNVBAGLBSA-N	-1	0	234.251	1.864	50	30		BDEARM
COc1cccc(C(=O)NCC(=O)[O-])c1	ZINC000082069812	175239664	/nfs/dbraw/zinc/23/96/64/175239664.db2.gz	JPKBHIBVUXBFSZ-UHFFFAOYSA-N	-1	0	209.201	1.084	50	30		BDEARM
COC(=O)C(=N[O-])c1c[nH]c2ccccc12	ZINC000252606598	522745793	/nfs/dbraw/zinc/74/57/93/522745793.db2.gz	GTPFAXDSMSVVGQ-UHFFFAOYSA-N	-1	0	218.212	1.519	50	30		BDEARM
C[C@@H](CC#N)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700402276	711991963	/nfs/dbraw/zinc/99/19/63/711991963.db2.gz	GFAVNKLTLDALGH-JGVFFNPUSA-N	-1	0	242.275	1.514	50	30		BDEARM
CCOC(=O)c1cc(C2CC2)[n-]c(=O)c1C#N	ZINC000034085084	538953495	/nfs/dbraw/zinc/95/34/95/538953495.db2.gz	CKILXHUEBXQOCA-UHFFFAOYSA-N	-1	0	232.239	1.301	50	30		BDEARM
O=C1/C(=N/[O-])Sc2nc3ccccc3n21	ZINC000006646146	342780327	/nfs/dbraw/zinc/78/03/27/342780327.db2.gz	AUSIEZHJGMQEMW-XFFZJAGNSA-N	-1	0	219.225	1.570	50	30		BDEARM
O=C([O-])[C@@H]1C(=O)CC(=O)C[C@H]1c1ccccc1	ZINC000004812279	344275104	/nfs/dbraw/zinc/27/51/04/344275104.db2.gz	XYNPWEXGEXTCLB-JQWIXIFHSA-N	-1	0	232.235	1.886	50	30		BDEARM
O=C([O-])[C@@H]1CCCN1/C=C\C(=O)C(F)(F)F	ZINC000033620149	344882015	/nfs/dbraw/zinc/88/20/15/344882015.db2.gz	CRARUCXWDNEBTJ-LMXCLXGDSA-N	-1	0	237.177	1.181	50	30		BDEARM
Cn1c2ccccc2nc1C(C#N)=N[O-]	ZINC000252628663	345558979	/nfs/dbraw/zinc/55/89/79/345558979.db2.gz	SVFFZAWSUDKAQB-UHFFFAOYSA-N	-1	0	200.201	1.275	50	30		BDEARM
Cc1[n-]c(=O)c(-c2ccccc2)c(O)c1C#N	ZINC000000087703	346011974	/nfs/dbraw/zinc/01/19/74/346011974.db2.gz	CFPPPMIHTUGGAG-UHFFFAOYSA-N	-1	0	226.235	1.928	50	30		BDEARM
CCCCCCCNC(=O)CCC(=O)[O-]	ZINC000002835856	188100658	/nfs/dbraw/zinc/10/06/58/188100658.db2.gz	CMRCPAVJWXVKKZ-UHFFFAOYSA-N	-1	0	215.293	1.938	50	30		BDEARM
Cc1nc(C#N)c(N2CCC(C(=O)[O-])CC2)o1	ZINC000019702782	188107943	/nfs/dbraw/zinc/10/79/43/188107943.db2.gz	SDPFWQCYDIGLMG-UHFFFAOYSA-N	-1	0	235.243	1.156	50	30		BDEARM
Cc1[n-][nH]c(=O)c1N=Nc1cccnc1Cl	ZINC000012413078	188164369	/nfs/dbraw/zinc/16/43/69/188164369.db2.gz	VAFUCSLCSRRSRJ-UHFFFAOYSA-N	-1	0	237.650	1.009	50	30		BDEARM
C=CCCC(=O)N[C@@](C)(CCC)C(=O)[O-]	ZINC000054399754	188177458	/nfs/dbraw/zinc/17/74/58/188177458.db2.gz	QYXWNUPQYSHGBV-NSHDSACASA-N	-1	0	213.277	1.712	50	30		BDEARM
N#CCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000012650249	181034385	/nfs/dbraw/zinc/03/43/85/181034385.db2.gz	WWKXOBNWVCCMHY-UHFFFAOYSA-N	-1	0	204.185	1.237	50	30		BDEARM
N#Cc1cc(O)cc(C(=O)[O-])c1Br	ZINC000263624960	181091918	/nfs/dbraw/zinc/09/19/18/181091918.db2.gz	VOXOLMHYDNNFFL-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000000336425	181161121	/nfs/dbraw/zinc/16/11/21/181161121.db2.gz	ABOATQKEOFCUPN-UHFFFAOYSA-N	-1	0	200.197	1.598	50	30		BDEARM
C=C1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000012359474	355837883	/nfs/dbraw/zinc/83/78/83/355837883.db2.gz	ULLGRIBXGPATMA-QMMMGPOBSA-N	-1	0	227.260	1.637	50	30		BDEARM
N#Cc1cccc(-c2cnc(C(=O)[O-])nc2)c1	ZINC000675069597	538499279	/nfs/dbraw/zinc/49/92/79/538499279.db2.gz	JBHIQBMRQMGVAH-UHFFFAOYSA-N	-1	0	225.207	1.713	50	30		BDEARM
CCOc1c(OC)cc(C#N)cc1C(=O)[O-]	ZINC000006702984	360626002	/nfs/dbraw/zinc/62/60/02/360626002.db2.gz	NPHAUMPOXRYPRA-UHFFFAOYSA-N	-1	0	221.212	1.664	50	30		BDEARM
[O-]/N=C1/CCCc2nn(-c3ccccc3)nc21	ZINC000005009648	181827817	/nfs/dbraw/zinc/82/78/17/181827817.db2.gz	OBUYPANMZNFRGC-PTNGSMBKSA-N	-1	0	228.255	1.782	50	30		BDEARM
O=c1cnnc(NN=Cc2ccc(F)cc2)[n-]1	ZINC000003901913	183304654	/nfs/dbraw/zinc/30/46/54/183304654.db2.gz	IWXVAICVSXYJKA-LFYBBSHMSA-N	-1	0	233.206	1.162	50	30		BDEARM
[O-]/N=C/c1cn(-c2ccc(Cl)cc2)nn1	ZINC000015987503	383876089	/nfs/dbraw/zinc/87/60/89/383876089.db2.gz	KCXHNZGGTPMYAO-VZUCSPMQSA-N	-1	0	222.635	1.729	50	30		BDEARM
O=C(/C=N/[O-])Nc1ccc(F)cc1Cl	ZINC000047843786	384468553	/nfs/dbraw/zinc/46/85/53/384468553.db2.gz	CVGKCVIPUVTREY-NYYWCZLTSA-N	-1	0	216.599	1.878	50	30		BDEARM
C=CCN1C(=O)[C@H](C(=O)[O-])C(=O)c2ccccc21	ZINC000000361279	385558988	/nfs/dbraw/zinc/55/89/88/385558988.db2.gz	VNDRVBCBOASWAE-SNVBAGLBSA-N	-1	0	245.234	1.103	50	30	biogenic	BDEARM
N#Cc1cccc(-c2cc(C(=O)[O-])on2)c1	ZINC000034972855	385641194	/nfs/dbraw/zinc/64/11/94/385641194.db2.gz	TZDONYAQYVKDDH-UHFFFAOYSA-N	-1	0	214.180	1.911	50	30		BDEARM
O=C(N=c1cccc[nH]1)c1ncccc1[O-]	ZINC000222106407	386037889	/nfs/dbraw/zinc/03/78/89/386037889.db2.gz	VLXSBDIZYCORGD-KHPPLWFESA-N	-1	0	215.212	1.430	50	30		BDEARM
C=CCCC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000054399679	388438554	/nfs/dbraw/zinc/43/85/54/388438554.db2.gz	FMJLKSOLUYVAOX-LLVKDONJSA-N	-1	0	211.261	1.322	50	30		BDEARM
COCc1c(Cl)c(C)[n-]c(=O)c1C#N	ZINC000000406608	388619709	/nfs/dbraw/zinc/61/97/09/388619709.db2.gz	GREAUMWUPCCTKL-UHFFFAOYSA-N	-1	0	212.636	1.355	50	30		BDEARM
N#Cc1cc(F)ccc1N1CCC[C@H](C(=O)[O-])C1	ZINC000015443580	132323093	/nfs/dbraw/zinc/32/30/93/132323093.db2.gz	KTEZCPOWVJAFMP-VIFPVBQESA-N	-1	0	248.257	1.998	50	30		BDEARM
O=C([O-])CCCc1ccc(/C=N/O)s1	ZINC000002932795	397782681	/nfs/dbraw/zinc/78/26/81/397782681.db2.gz	OCAUUNNQCUCBSM-UXBLZVDNSA-N	-1	0	213.258	1.964	50	30		BDEARM
CO[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000096450050	398079328	/nfs/dbraw/zinc/07/93/28/398079328.db2.gz	STTISUUKDUNMSK-SSDOTTSWSA-N	-1	0	220.228	1.237	50	30		BDEARM
C=CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002405258	166378390	/nfs/dbraw/zinc/37/83/90/166378390.db2.gz	KJKYTWORXLDKLI-NSHDSACASA-N	-1	0	248.282	1.168	50	30		BDEARM
Cc1occc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000103504777	410901325	/nfs/dbraw/zinc/90/13/25/410901325.db2.gz	AZLUUGGOPFNNPC-JTQLQIEISA-N	-1	0	232.239	1.189	50	30		BDEARM
CCOC(=O)/C(=N\[O-])c1c[nH]c2ccccc21	ZINC000023467716	170181089	/nfs/dbraw/zinc/18/10/89/170181089.db2.gz	SIUOJGYDGONQPU-KAMYIIQDSA-N	-1	0	232.239	1.909	50	30		BDEARM
CCOC(=O)C(C#N)=C([O-])c1cccc(C)c1	ZINC000103704094	170244849	/nfs/dbraw/zinc/24/48/49/170244849.db2.gz	XBNODEGBSQEXBY-NSHDSACASA-N	-1	0	231.251	1.881	50	30		BDEARM
COc1cc([N+](=O)[O-])ccc1NC(=O)/C=N/[O-]	ZINC000004218976	175017437	/nfs/dbraw/zinc/01/74/37/175017437.db2.gz	CGXLDFKRVWTMLL-BJMVGYQFSA-N	-1	0	239.187	1.002	50	30		BDEARM
COc1ccc(C(=O)C=C(O)C(=O)[O-])cc1	ZINC000105827813	175046260	/nfs/dbraw/zinc/04/62/60/175046260.db2.gz	DXCCYGYXIGAHGX-RMKNXTFCSA-N	-1	0	222.196	1.248	50	30		BDEARM
COc1ccc(C=CC(=O)CC(=O)C(=O)[O-])cc1	ZINC000004812997	175046430	/nfs/dbraw/zinc/04/64/30/175046430.db2.gz	CCBVIZCVWBKHIQ-FDURECBRSA-N	-1	0	248.234	1.804	50	30		BDEARM
C[C@H](C#N)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000081791240	176553711	/nfs/dbraw/zinc/55/37/11/176553711.db2.gz	AJPVGSBAVBWCTO-ZCFIWIBFSA-N	-1	0	240.209	1.560	50	30		BDEARM
C[C@@]1(C#N)CCCN(C(=O)CCCC(=O)[O-])C1	ZINC000534674675	323159059	/nfs/dbraw/zinc/15/90/59/323159059.db2.gz	YUCCWQOJZFSLOG-LBPRGKRZSA-N	-1	0	238.287	1.394	50	30		BDEARM
COc1ccc(N2N=C(C)/C(=N/[O-])C2=O)cc1	ZINC000059488751	488169927	/nfs/dbraw/zinc/16/99/27/488169927.db2.gz	XYKRICTWNWOLIA-RAXLEYEMSA-N	-1	0	233.227	1.248	50	30		BDEARM
CC[C@@H](C)CS(=O)(=O)[N-]C(=O)C1CC1	ZINC000084721709	522004366	/nfs/dbraw/zinc/00/43/66/522004366.db2.gz	FWRYTYSBUKBSMO-SSDOTTSWSA-N	-1	0	219.306	1.729	50	30		BDEARM
CC[C@H](C)CS(=O)(=O)[N-]C(=O)C1CC1	ZINC000084721712	523888606	/nfs/dbraw/zinc/88/86/06/523888606.db2.gz	FWRYTYSBUKBSMO-ZETCQYMHSA-N	-1	0	219.306	1.729	50	30		BDEARM
O=C(C=N[O-])Nc1ccccc1Br	ZINC000254743823	526318733	/nfs/dbraw/zinc/31/87/33/526318733.db2.gz	KRUQMJREXXFSBT-UHFFFAOYSA-N	-1	0	243.060	1.848	50	30	in-vitro	BDEARM
CCOC(=O)c1sc(C#N)c([O-])c1O	ZINC000039390224	262788191	/nfs/dbraw/zinc/78/81/91/262788191.db2.gz	PEDCBXYLHQONKJ-UHFFFAOYSA-N	-1	0	213.214	1.208	50	30		BDEARM
Cc1ccc(O)c(/C(CCC(=O)[O-])=N/O)c1	ZINC000005541882	342765518	/nfs/dbraw/zinc/76/55/18/342765518.db2.gz	HWVIVTWXKCSQBG-FMIVXFBMSA-N	-1	0	223.228	1.744	50	30		BDEARM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cn[nH]n2)c1	ZINC000004396608	342861477	/nfs/dbraw/zinc/86/14/77/342861477.db2.gz	IKXLRICQELFMHA-ONNFQVAWSA-N	-1	0	233.187	1.169	50	30		BDEARM
Cc1cc(C)c(C#N)c(N(C)C[C@H](C)C(=O)[O-])n1	ZINC000042704192	362018073	/nfs/dbraw/zinc/01/80/73/362018073.db2.gz	AQXSBISVCNSXRY-VIFPVBQESA-N	-1	0	247.298	1.727	50	30		BDEARM
C=C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000195567549	347647250	/nfs/dbraw/zinc/64/72/50/347647250.db2.gz	ZLVHBAQATQJPKJ-ZETCQYMHSA-N	-1	0	236.227	1.605	50	30		BDEARM
N#CCc1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000000148570	187407344	/nfs/dbraw/zinc/40/73/44/187407344.db2.gz	YZDJFQDHPNTFKH-UHFFFAOYSA-N	-1	0	232.239	1.556	50	30		BDEARM
C/C(=N\Nc1nc(=O)c(C)n[n-]1)c1ccccc1	ZINC000016264988	187416545	/nfs/dbraw/zinc/41/65/45/187416545.db2.gz	GDHSILRQLDZEFD-RIYZIHGNSA-N	-1	0	243.270	1.309	50	30		BDEARM
N#Cc1cc(C(=O)C(=O)[O-])cc(C(F)(F)F)c1	ZINC000725262049	538088021	/nfs/dbraw/zinc/08/80/21/538088021.db2.gz	SZMHGQMTMXTSEK-UHFFFAOYSA-N	-1	0	243.140	1.844	50	30		BDEARM
C=C(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002526790	187469753	/nfs/dbraw/zinc/46/97/53/187469753.db2.gz	YHWOMLAFEJVSSA-MRVPVSSYSA-N	-1	0	229.276	1.931	50	30		BDEARM
CC(C)(NO)/C(=N/[O-])c1cccs1	ZINC000013115979	188105824	/nfs/dbraw/zinc/10/58/24/188105824.db2.gz	BYLVVJHWAYIRTF-VQHVLOKHSA-N	-1	0	200.263	1.684	50	30		BDEARM
CC([O-])=C1C(=O)c2ccoc2C(=O)C1=O	ZINC000101369776	188159431	/nfs/dbraw/zinc/15/94/31/188159431.db2.gz	ITYREAMSZMEKKK-UHFFFAOYSA-N	-1	0	206.153	1.060	50	30		BDEARM
C#C[C@](C)(CC)NC(=O)c1ccccc1C(=O)[O-]	ZINC000001432609	188177486	/nfs/dbraw/zinc/17/74/86/188177486.db2.gz	VZGYZZMXHDWMKP-CQSZACIVSA-N	-1	0	245.278	1.917	50	30		BDEARM
C=CCCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000061957890	188183422	/nfs/dbraw/zinc/18/34/22/188183422.db2.gz	ZVOCMVHWFJWMEB-SNVBAGLBSA-N	-1	0	213.277	1.712	50	30		BDEARM
C=CC[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000002385909	188226251	/nfs/dbraw/zinc/22/62/51/188226251.db2.gz	RFHPQLCVYMBPRF-MRVPVSSYSA-N	-1	0	229.276	1.931	50	30		BDEARM
N#CCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000000396331	181034276	/nfs/dbraw/zinc/03/42/76/181034276.db2.gz	LNMDMNGHWPNZBO-UHFFFAOYSA-N	-1	0	204.185	1.237	50	30		BDEARM
N#Cc1cc(F)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000039953646	181087249	/nfs/dbraw/zinc/08/72/49/181087249.db2.gz	VETQVQIUKQNKHY-UHFFFAOYSA-N	-1	0	210.120	1.304	50	30		BDEARM
N#Cc1ccccc1N1CC(C(=O)[O-])C1	ZINC000070569478	181146460	/nfs/dbraw/zinc/14/64/60/181146460.db2.gz	VZKGIBUJPUJLNV-UHFFFAOYSA-N	-1	0	202.213	1.079	50	30		BDEARM
N/C(=N\[O-])C(=O)Nc1ccc(Cl)cc1	ZINC000005769710	181179757	/nfs/dbraw/zinc/17/97/57/181179757.db2.gz	XMHQCUUITZGTSB-UHFFFAOYSA-N	-1	0	213.624	1.025	50	30		BDEARM
CC1(C)[C@@]2(C(=O)[O-])CC[C@]1(C)C(=NN)C2	ZINC000252626862	358217068	/nfs/dbraw/zinc/21/70/68/358217068.db2.gz	RHFYQGSVOPZKPI-MNOVXSKESA-N	-1	0	210.277	1.602	50	30		BDEARM
Cc1ccc(N/C(=N\[O-])c2nonc2N)c(C)c1	ZINC000013119791	361186397	/nfs/dbraw/zinc/18/63/97/361186397.db2.gz	BUJIOZQBUOYEII-UHFFFAOYSA-N	-1	0	247.258	1.517	50	30		BDEARM
[O-]N=C(C(=NO)c1ccoc1)c1ccoc1	ZINC000252609378	364012969	/nfs/dbraw/zinc/01/29/69/364012969.db2.gz	HSTJRKKPDHBDGA-UHFFFAOYSA-N	-1	0	220.184	1.929	50	30		BDEARM
O=C([O-])c1ccc(NC(=O)CS)cc1	ZINC000000188464	182005411	/nfs/dbraw/zinc/00/54/11/182005411.db2.gz	UGGJPGMFOQWZPX-UHFFFAOYSA-N	-1	0	211.242	1.253	50	30		BDEARM
O=C(/C=N/[O-])Nc1ccccc1Br	ZINC000004219191	384048012	/nfs/dbraw/zinc/04/80/12/384048012.db2.gz	KRUQMJREXXFSBT-BJMVGYQFSA-N	-1	0	243.060	1.848	50	30		BDEARM
O=C([O-])CN=Nc1nncc2ccccc21	ZINC000072370093	384049316	/nfs/dbraw/zinc/04/93/16/384049316.db2.gz	JPYADYJIXPFWLY-WUXMJOGZSA-N	-1	0	216.200	1.112	50	30		BDEARM
CCCCCCCCC[C@@H](O)[C@@H](O)C(=O)[O-]	ZINC000101446954	384409099	/nfs/dbraw/zinc/40/90/99/384409099.db2.gz	JJIJQULYODNGKJ-GHMZBOCLSA-N	-1	0	232.320	1.934	50	30		BDEARM
O=S(=O)(NC(=S)[S-])c1ccccc1	ZINC000017108619	384481864	/nfs/dbraw/zinc/48/18/64/384481864.db2.gz	OBMLUXVYPZNXGO-UHFFFAOYSA-N	-1	0	233.339	1.591	50	30		BDEARM
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)[O-]	ZINC000082067962	384643932	/nfs/dbraw/zinc/64/39/32/384643932.db2.gz	TZRRISNEOUTNSA-VIFPVBQESA-N	-1	0	222.244	1.495	50	30		BDEARM
C[C@@](C#N)(Cc1ccccc1F)C(=O)[O-]	ZINC000057494393	384746690	/nfs/dbraw/zinc/74/66/90/384746690.db2.gz	WFUABMCQKXFVSY-NSHDSACASA-N	-1	0	207.204	1.983	50	30		BDEARM
Cc1n[n-]c(=S)n(N=Cc2ccccc2)c1=O	ZINC000005696941	385040913	/nfs/dbraw/zinc/04/09/13/385040913.db2.gz	MOOMLGXYYAWRCU-KPKJPENVSA-N	-1	0	246.295	1.492	50	30		BDEARM
C=C(c1ccccc1)[C@@H](C(=O)[O-])S(C)(=O)=O	ZINC000000189874	385278591	/nfs/dbraw/zinc/27/85/91/385278591.db2.gz	SUTVKNUBDIMUQT-JTQLQIEISA-N	-1	0	240.280	1.198	50	30		BDEARM
C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ncc[nH]2)C1	ZINC000091770525	386306902	/nfs/dbraw/zinc/30/69/02/386306902.db2.gz	HKCANHQUZBWLKK-CYBMUJFWSA-N	-1	0	249.314	1.653	50	30		BDEARM
O=C(C/C(=N/[O-])c1ccccc1O)C(F)F	ZINC000100799907	387473327	/nfs/dbraw/zinc/47/33/27/387473327.db2.gz	HKBQJNJGDFTBPH-QPEQYQDCSA-N	-1	0	229.182	1.795	50	30		BDEARM
CC[C@@H](C)n1c([O-])cc(C)c(C#N)c1=O	ZINC000009486379	388678428	/nfs/dbraw/zinc/67/84/28/388678428.db2.gz	DQIPDCAJGPCWSN-MRVPVSSYSA-N	-1	0	206.245	1.705	50	30		BDEARM
N#Cc1ccc2c(ccn2CC(=O)[O-])c1	ZINC000002512925	388739349	/nfs/dbraw/zinc/73/93/49/388739349.db2.gz	VKTAXUOHHZJUMN-UHFFFAOYSA-N	-1	0	200.197	1.598	50	30		BDEARM
Cc1oc(C)c2c1C(=O)C=C/C(=N/[O-])C2=O	ZINC000095482134	388776370	/nfs/dbraw/zinc/77/63/70/388776370.db2.gz	ZEAUHFMQBMFRAI-GHXNOFRVSA-N	-1	0	219.196	1.662	50	30		BDEARM
N#Cc1ccc(N2CCC(C(=O)[O-])CC2)cc1	ZINC000012954340	132321602	/nfs/dbraw/zinc/32/16/02/132321602.db2.gz	KWCXEOVSAJSXRS-UHFFFAOYSA-N	-1	0	230.267	1.859	50	30		BDEARM
N#Cc1ccccc1N1CCC[C@H](C(=O)[O-])C1	ZINC000015443103	132323069	/nfs/dbraw/zinc/32/30/69/132323069.db2.gz	DPCRZOIVBBSRNW-NSHDSACASA-N	-1	0	230.267	1.859	50	30		BDEARM
C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000043867372	166152932	/nfs/dbraw/zinc/15/29/32/166152932.db2.gz	DPHIBCOGEUVKGB-QMMMGPOBSA-N	-1	0	227.260	1.378	50	30	in-vitro	BDEARM
C=CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000057955893	166351031	/nfs/dbraw/zinc/35/10/31/166351031.db2.gz	GQWGWWFNFYHFND-WCQYABFASA-N	-1	0	245.278	1.847	50	30		BDEARM
C=CCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000035347359	166392070	/nfs/dbraw/zinc/39/20/70/166392070.db2.gz	PTKITGCCWDTUOG-UHFFFAOYSA-N	-1	0	205.213	1.301	50	30		BDEARM
C=CCNC(=O)c1cccc(C(=O)[O-])c1	ZINC000035347360	166393419	/nfs/dbraw/zinc/39/34/19/166393419.db2.gz	VNTVBFAPCSJANR-UHFFFAOYSA-N	-1	0	205.213	1.301	50	30		BDEARM
O=C(N=c1[nH]ccs1)c1ncccc1[O-]	ZINC000104261457	410931003	/nfs/dbraw/zinc/93/10/03/410931003.db2.gz	BRHQAEAJKCALRO-FPLPWBNLSA-N	-1	0	221.241	1.492	50	30		BDEARM
O=C(Nc1ccncc1)c1ncccc1[O-]	ZINC000104261441	410931149	/nfs/dbraw/zinc/93/11/49/410931149.db2.gz	PWYYGXMHBLXPDR-KHPPLWFESA-N	-1	0	215.212	1.430	50	30		BDEARM
CCOC(=O)[C@H]1C(=O)N(O)C[C@@H]1c1ccccc1	ZINC000003997634	170278688	/nfs/dbraw/zinc/27/86/88/170278688.db2.gz	UHYXCQUAAGEZRX-GHMZBOCLSA-N	-1	0	249.266	1.181	50	30		BDEARM
COc1cccc(/C=C/C(=O)C(=O)[O-])c1	ZINC000002154774	175239251	/nfs/dbraw/zinc/23/92/51/175239251.db2.gz	TZBQCGQSQBDNCY-AATRIKPKSA-N	-1	0	206.197	1.362	50	30		BDEARM
COc1cccc2c1C(=O)C(=O)C=C2[O-]	ZINC000000337785	175300750	/nfs/dbraw/zinc/30/07/50/175300750.db2.gz	FYKICSYZKOGCIS-UHFFFAOYSA-N	-1	0	204.181	1.516	50	30		BDEARM
C[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000017186363	177019839	/nfs/dbraw/zinc/01/98/39/177019839.db2.gz	RIQFULUXUCSLCO-KEXZDQNZSA-N	-1	0	238.199	1.418	50	30		BDEARM
C[C@]1(C#N)CCCN(C(=O)CCCC(=O)[O-])C1	ZINC000534674674	323159128	/nfs/dbraw/zinc/15/91/28/323159128.db2.gz	YUCCWQOJZFSLOG-GFCCVEGCSA-N	-1	0	238.287	1.394	50	30		BDEARM
NC(=NO)C(=N[O-])c1nc2ccccc2s1	ZINC000252678897	526846381	/nfs/dbraw/zinc/84/63/81/526846381.db2.gz	HIHRLZSGAOJULV-UHFFFAOYSA-N	-1	0	236.256	1.221	50	30		BDEARM
CC(C)(C)OC(=O)N[C@@H](CCC#N)C(=O)[O-]	ZINC000034375149	646615996	/nfs/dbraw/zinc/61/59/96/646615996.db2.gz	GFRAZDGVUSPMRH-ZETCQYMHSA-N	-1	0	228.248	1.268	50	30		BDEARM
Cc1cc([O-])n(CCC(C)C)c(=O)c1C#N	ZINC000011765602	178201284	/nfs/dbraw/zinc/20/12/84/178201284.db2.gz	JKCNPFDVCOHBQD-UHFFFAOYSA-N	-1	0	220.272	1.780	50	30		BDEARM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C(C)(C)S	ZINC000002583252	342725760	/nfs/dbraw/zinc/72/57/60/342725760.db2.gz	KATRCIRDUXIZQK-ZCFIWIBFSA-N	-1	0	249.332	1.673	50	30		BDEARM
Cc1ccc([N-]N=C(C#N)C#N)c([N+](=O)[O-])c1	ZINC000004948570	342754963	/nfs/dbraw/zinc/75/49/63/342754963.db2.gz	RPVSMPDRWQVGJR-UHFFFAOYSA-N	-1	0	229.199	1.718	50	30		BDEARM
O=[N+]([O-])c1ccc(/C=N/[O-])c([N+](=O)[O-])c1	ZINC000017301509	342923265	/nfs/dbraw/zinc/92/32/65/342923265.db2.gz	YVCGJBIQVLGPRJ-XBXARRHUSA-N	-1	0	211.133	1.311	50	30		BDEARM
CC(C)(C)NC(=O)/C(=N\[O-])c1ccccc1	ZINC000005157966	345048277	/nfs/dbraw/zinc/04/82/77/345048277.db2.gz	NGHHIRJISZTSEO-UVTDQMKNSA-N	-1	0	220.272	1.780	50	30		BDEARM
C#C[C@H](C)NS(=O)(=O)c1ccc(C)cc1F	ZINC000193522680	187391652	/nfs/dbraw/zinc/39/16/52/187391652.db2.gz	IKOMVQQGRJXFOD-VIFPVBQESA-N	-1	0	241.287	1.434	50	30		BDEARM
O=C(/C=N/[O-])Nc1cccc2c1CCO2	ZINC000044127129	538017398	/nfs/dbraw/zinc/01/73/98/538017398.db2.gz	OQBZUVNZQGZHSP-IZZDOVSWSA-N	-1	0	206.201	1.020	50	30		BDEARM
C=CCn1c(=N)[n-]nc1SCC1(C)COC1	ZINC000336688238	350969413	/nfs/dbraw/zinc/96/94/13/350969413.db2.gz	VSQHERYNHRMKLB-UHFFFAOYSA-N	-1	0	240.332	1.005	50	30		BDEARM
CC(=O)C(=N[N-]c1c(F)cccc1F)C(C)=O	ZINC000000138650	188098952	/nfs/dbraw/zinc/09/89/52/188098952.db2.gz	SPTWBFPLZLEYJA-UHFFFAOYSA-N	-1	0	240.209	1.911	50	30		BDEARM
CC(=N\O)/C(=N/[O-])C(=O)Nc1ccc(C)cc1	ZINC000004567730	188102415	/nfs/dbraw/zinc/10/24/15/188102415.db2.gz	DYDIQVWOHOXRSH-GVCYOOEQSA-N	-1	0	235.243	1.614	50	30		BDEARM
C=C[C@@](C)(CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000072481795	188220898	/nfs/dbraw/zinc/22/08/98/188220898.db2.gz	OJUKQCSALXKTPH-NSHDSACASA-N	-1	0	229.276	1.931	50	30		BDEARM
Cc1cc(C#N)cc(N(C)C[C@H](C)C(=O)[O-])n1	ZINC000160847008	188220922	/nfs/dbraw/zinc/22/09/22/188220922.db2.gz	BEYLTQASEFEJRV-QMMMGPOBSA-N	-1	0	233.271	1.419	50	30		BDEARM
N#CC1(C(=O)NCCCCC(=O)[O-])CCCC1	ZINC000097035978	181028566	/nfs/dbraw/zinc/02/85/66/181028566.db2.gz	GDZSUQFRCUZHEF-UHFFFAOYSA-N	-1	0	238.287	1.441	50	30		BDEARM
N#Cc1ccc(I)c([O-])c1	ZINC000036258802	181114413	/nfs/dbraw/zinc/11/44/13/181114413.db2.gz	JXTGXKQNEFYEKG-UHFFFAOYSA-N	-1	0	245.019	1.868	50	30		BDEARM
N#Cc1ccc(N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000062132897	181116316	/nfs/dbraw/zinc/11/63/16/181116316.db2.gz	OKLSAKLXOGFNEW-VIFPVBQESA-N	-1	0	234.230	1.608	50	30		BDEARM
CCc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000006791634	360849160	/nfs/dbraw/zinc/84/91/60/360849160.db2.gz	PVHQQTUQRIIVKR-YRNVUSSQSA-N	-1	0	216.248	1.208	50	30		BDEARM
COc1c(C=N[O-])cc(C)cc1C=NO	ZINC000252626722	364343774	/nfs/dbraw/zinc/34/37/74/364343774.db2.gz	REKSZWHBROPXFK-UHFFFAOYSA-N	-1	0	208.217	1.620	50	30		BDEARM
CCc1cc(=O)n2[n-]c(C)c(C#N)c2n1	ZINC000008927342	373103376	/nfs/dbraw/zinc/10/33/76/373103376.db2.gz	LRQYWTFIXNQPTG-UHFFFAOYSA-N	-1	0	202.217	1.177	50	30	in-vitro	BDEARM
O=C(NO)c1ccc(Br)cc1[O-]	ZINC000040564695	182280803	/nfs/dbraw/zinc/28/08/03/182280803.db2.gz	PODSXAMKHIADTI-UHFFFAOYSA-N	-1	0	232.033	1.274	50	30		BDEARM
C=CCCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000085006743	206042397	/nfs/dbraw/zinc/04/23/97/206042397.db2.gz	WLGFLSDIZQDXAE-DTWKUNHWSA-N	-1	0	211.261	1.322	50	30		BDEARM
C/C(=N\Nc1nc(=O)c(C)n[n-]1)C(C)(C)C	ZINC000005543981	384118773	/nfs/dbraw/zinc/11/87/73/384118773.db2.gz	MVHSBWSXNZNZBV-NTUHNPAUSA-N	-1	0	223.280	1.307	50	30		BDEARM
CCOc1ccc(/C(=N\[O-])[C@H](C)NO)cc1	ZINC000100971635	384123431	/nfs/dbraw/zinc/12/34/31/384123431.db2.gz	ZUQNRFAANVNQML-WBGQNJONSA-N	-1	0	224.260	1.631	50	30		BDEARM
CC[C@H](CC#N)NC(=O)c1cc(C#N)ccc1[O-]	ZINC000408514553	384268414	/nfs/dbraw/zinc/26/84/14/384268414.db2.gz	QRCMCFZNWRTBJH-SNVBAGLBSA-N	-1	0	243.266	1.686	50	30		BDEARM
COC(=O)/C(=N/[O-])c1c[nH]c2ccccc21	ZINC000084400881	384866876	/nfs/dbraw/zinc/86/68/76/384866876.db2.gz	GTPFAXDSMSVVGQ-JLHYYAGUSA-N	-1	0	218.212	1.519	50	30	in-vitro	BDEARM
[O-]N=C(Cn1cccn1)c1ccccc1	ZINC000254750231	384973213	/nfs/dbraw/zinc/97/32/13/384973213.db2.gz	JCFGIQDGEVEYRN-UHFFFAOYSA-N	-1	0	201.229	1.762	50	30		BDEARM
CCCN1c2ccccc2C(=N[O-])C1=O	ZINC000254793731	388365876	/nfs/dbraw/zinc/36/58/76/388365876.db2.gz	WUZACTGDMOXIHA-UHFFFAOYSA-N	-1	0	204.229	1.622	50	30		BDEARM
C[C@@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000170647511	388443906	/nfs/dbraw/zinc/44/39/06/388443906.db2.gz	RESYFQBOPVGYFU-LURJTMIESA-N	-1	0	247.279	1.758	50	30		BDEARM
CC(=O)C(=N[O-])C(=O)Nc1ccccc1	ZINC000254403999	388743049	/nfs/dbraw/zinc/74/30/49/388743049.db2.gz	UWYXIAWYMDVVGK-UHFFFAOYSA-N	-1	0	206.201	1.044	50	30		BDEARM
CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C	ZINC000095989278	388800261	/nfs/dbraw/zinc/80/02/61/388800261.db2.gz	GBYHKRXPZDLYFY-UHFFFAOYSA-N	-1	0	217.246	1.562	50	30		BDEARM
O=C1c2cc(Br)ccc2N/C1=N/[O-]	ZINC000005731242	397869845	/nfs/dbraw/zinc/86/98/45/397869845.db2.gz	QNXJWPXBMJOWMU-UHFFFAOYSA-N	-1	0	241.044	1.845	50	30		BDEARM
Cc1[n-]oc(=O)c1N=Nc1ccccc1	ZINC000013119800	168137041	/nfs/dbraw/zinc/13/70/41/168137041.db2.gz	YCNZYEMBPKHYRV-XFXZXTDPSA-N	-1	0	203.201	1.387	50	30		BDEARM
CCOC(=O)[C@]12C[C@H]1/C(=N\[O-])c1ccccc1O2	ZINC000013719863	170286888	/nfs/dbraw/zinc/28/68/88/170286888.db2.gz	FXCTZFMSAHZQTR-PFJVYOFESA-N	-1	0	247.250	1.579	50	30	in-vitro	BDEARM
COc1ccc(/C(=N/[O-])C(C)(C)NO)cc1	ZINC000100602465	175045371	/nfs/dbraw/zinc/04/53/71/175045371.db2.gz	VRXDXYQUNCKLAZ-BENRWUELSA-N	-1	0	224.260	1.631	50	30		BDEARM
CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C	ZINC000084686935	487971836	/nfs/dbraw/zinc/97/18/36/487971836.db2.gz	PYUNTHCIOGKZAE-JGVFFNPUSA-N	-1	0	219.306	1.585	50	30		BDEARM
CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C	ZINC000084686947	488079924	/nfs/dbraw/zinc/07/99/24/488079924.db2.gz	GETJPDYKNCSKIT-DTWKUNHWSA-N	-1	0	233.333	1.975	50	30		BDEARM
CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C	ZINC000084686943	488080182	/nfs/dbraw/zinc/08/01/82/488080182.db2.gz	GETJPDYKNCSKIT-BDAKNGLRSA-N	-1	0	233.333	1.975	50	30		BDEARM
C[C@H](CC#N)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700402275	711802980	/nfs/dbraw/zinc/80/29/80/711802980.db2.gz	GFAVNKLTLDALGH-HTQZYQBOSA-N	-1	0	242.275	1.514	50	30		BDEARM
Cc1cc([O-])n(CC(C)C)c(=O)c1C#N	ZINC000002842755	178201381	/nfs/dbraw/zinc/20/13/81/178201381.db2.gz	YXOQELKEKJGNHR-UHFFFAOYSA-N	-1	0	206.245	1.390	50	30		BDEARM
CC(=O)/C=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000036372844	342824680	/nfs/dbraw/zinc/82/46/80/342824680.db2.gz	FNXHBARMWISRHV-NSCUHMNNSA-N	-1	0	207.185	1.903	50	30		BDEARM
Cc1cc(=O)[n-]c(N=NC2CCCCC2)n1	ZINC000017354015	342924061	/nfs/dbraw/zinc/92/40/61/342924061.db2.gz	VHMFWROFBFWIGM-UHFFFAOYSA-N	-1	0	220.276	1.810	50	30		BDEARM
Cc1cc(C)c(C#N)c(N(C)C[C@@H](C)C(=O)[O-])n1	ZINC000042704190	362018266	/nfs/dbraw/zinc/01/82/66/362018266.db2.gz	AQXSBISVCNSXRY-SECBINFHSA-N	-1	0	247.298	1.727	50	30		BDEARM
CN(C)/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000205111656	347042696	/nfs/dbraw/zinc/04/26/96/347042696.db2.gz	KSHPNEYOOPCWGC-WAYWQWQTSA-N	-1	0	209.220	1.789	50	30		BDEARM
Cc1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000082068154	179001774	/nfs/dbraw/zinc/00/17/74/179001774.db2.gz	KPDBSQWRBLPDJF-QMMMGPOBSA-N	-1	0	207.229	1.773	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)C1CC=CC1	ZINC000086138023	166327094	/nfs/dbraw/zinc/32/70/94/166327094.db2.gz	CKFYQVSOAPJNRH-UHFFFAOYSA-N	-1	0	209.245	1.052	50	30		BDEARM
CC1=C([O-])C(=O)C(=Cc2ccco2)C1=O	ZINC000211050367	350948644	/nfs/dbraw/zinc/94/86/44/350948644.db2.gz	FGPNBNSPPPWJHF-HOYUYTIUSA-N	-1	0	204.181	1.020	50	30		BDEARM
C=CC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000002575673	187633670	/nfs/dbraw/zinc/63/36/70/187633670.db2.gz	RFHPQLCVYMBPRF-QMMMGPOBSA-N	-1	0	229.276	1.931	50	30		BDEARM
C=C(CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000029753877	188233868	/nfs/dbraw/zinc/23/38/68/188233868.db2.gz	SKBASSYZBXKFKB-UHFFFAOYSA-N	-1	0	220.224	1.761	50	30		BDEARM
C=CCCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000085006750	188269884	/nfs/dbraw/zinc/26/98/84/188269884.db2.gz	WLGFLSDIZQDXAE-BDAKNGLRSA-N	-1	0	211.261	1.322	50	30		BDEARM
O=C(OCc1ccccc1)/C(Cl)=N/[O-]	ZINC000102315592	188322693	/nfs/dbraw/zinc/32/26/93/188322693.db2.gz	DJQOAGXKANQNJN-FLIBITNWSA-N	-1	0	213.620	1.756	50	30		BDEARM
Cc1[n-]c(=O)c(Br)cc1C#N	ZINC000095097587	188318764	/nfs/dbraw/zinc/31/87/64/188318764.db2.gz	MBXZGOJTKAEFBE-UHFFFAOYSA-N	-1	0	213.034	1.730	50	30		BDEARM
C[C@H](CN(C)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000093396140	538117690	/nfs/dbraw/zinc/11/76/90/538117690.db2.gz	GDSNYRRYGULDJU-MRVPVSSYSA-N	-1	0	236.246	1.854	50	30		BDEARM
N#C[C@]12C(=O)[N-]C(=O)[C@@]1(C#N)C21CCCC1	ZINC000015875425	181062899	/nfs/dbraw/zinc/06/28/99/181062899.db2.gz	GUHVGRKGSWXHSO-PHIMTYICSA-N	-1	0	215.212	1.077	50	30		BDEARM
N#Cc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000000151602	181117344	/nfs/dbraw/zinc/11/73/44/181117344.db2.gz	WEBMHBYOOJFPSY-UHFFFAOYSA-N	-1	0	232.239	1.752	50	30		BDEARM
N#Cc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1	ZINC000002731822	181131505	/nfs/dbraw/zinc/13/15/05/181131505.db2.gz	YIALWNWWJOVCJG-UWVGGRQHSA-N	-1	0	234.280	1.346	50	30		BDEARM
CCc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000013139277	361250338	/nfs/dbraw/zinc/25/03/38/361250338.db2.gz	PVHQQTUQRIIVKR-UHFFFAOYSA-N	-1	0	216.248	1.208	50	30		BDEARM
Cc1[n-][nH]c(=O)c1N=Nc1ccccc1F	ZINC000008664971	372838303	/nfs/dbraw/zinc/83/83/03/372838303.db2.gz	TWHKCIVZQXMPEL-UHFFFAOYSA-N	-1	0	220.207	1.099	50	30		BDEARM
O=C(COc1ccc(Br)cc1)NO	ZINC000004548588	182000003	/nfs/dbraw/zinc/00/00/03/182000003.db2.gz	ZFQNABYNZGTXCR-UHFFFAOYSA-N	-1	0	246.060	1.333	50	30		BDEARM
O=C(NC1CCCCC1)/C(=N\[O-])c1ccccn1	ZINC000013119712	182111339	/nfs/dbraw/zinc/11/13/39/182111339.db2.gz	SVPLLIBNJIIUHF-VBKFSLOCSA-N	-1	0	247.298	1.709	50	30		BDEARM
Cc1ccc(S(=O)(=O)/C(C#N)=N/[O-])cc1	ZINC000000095936	383827843	/nfs/dbraw/zinc/82/78/43/383827843.db2.gz	DRSUYPDLWGTIFL-PKNBQFBNSA-N	-1	0	224.241	1.080	50	30		BDEARM
C=C1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000002386287	383961530	/nfs/dbraw/zinc/96/15/30/383961530.db2.gz	ULLGRIBXGPATMA-MRVPVSSYSA-N	-1	0	227.260	1.637	50	30		BDEARM
[O-]/N=C1/C[C@](O)(C(F)(F)F)Oc2ccccc21	ZINC000004567721	384069402	/nfs/dbraw/zinc/06/94/02/384069402.db2.gz	UUGOBBSNVJGXCI-UGHKADQRSA-N	-1	0	247.172	1.898	50	30		BDEARM
C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000082067834	384643467	/nfs/dbraw/zinc/64/34/67/384643467.db2.gz	TYRGLVWXHJRKMT-QMMMGPOBSA-N	-1	0	223.228	1.590	50	30	in-vivo	BDEARM
O=C([O-])CCNC(=O)c1ccccc1F	ZINC000082149330	384646394	/nfs/dbraw/zinc/64/63/94/384646394.db2.gz	OSMOBVPHBKSJRS-UHFFFAOYSA-N	-1	0	211.192	1.605	50	30		BDEARM
Cc1ccnc(S(=O)(=O)[N-]C(=O)C(C)C)c1	ZINC000079306279	384718325	/nfs/dbraw/zinc/71/83/25/384718325.db2.gz	WLXULLJGXMRIAW-UHFFFAOYSA-N	-1	0	242.300	1.691	50	30		BDEARM
C=CCCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000061957889	385013401	/nfs/dbraw/zinc/01/34/01/385013401.db2.gz	ZVOCMVHWFJWMEB-JTQLQIEISA-N	-1	0	213.277	1.712	50	30		BDEARM
C#CCN(C)[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000055358967	386171365	/nfs/dbraw/zinc/17/13/65/386171365.db2.gz	TVZHHMGIGBJRME-LBPRGKRZSA-N	-1	0	235.258	1.825	50	30		BDEARM
N#Cc1cccc(-n2ccc(C(=O)[O-])n2)c1	ZINC000170618059	388257440	/nfs/dbraw/zinc/25/74/40/388257440.db2.gz	SHKJTABSOWWZDU-UHFFFAOYSA-N	-1	0	213.196	1.442	50	30		BDEARM
C=CCCC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000079101945	388745684	/nfs/dbraw/zinc/74/56/84/388745684.db2.gz	YLMFNOLIPUSXCC-UHFFFAOYSA-N	-1	0	246.332	1.640	50	30		BDEARM
O=C(/C=C/N1CCOCC1)c1ccccc1[O-]	ZINC000096137222	388811228	/nfs/dbraw/zinc/81/12/28/388811228.db2.gz	SLAKBDHQVOYWDP-AATRIKPKSA-N	-1	0	233.267	1.421	50	30		BDEARM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccoc1	ZINC000097107183	388833888	/nfs/dbraw/zinc/83/38/88/388833888.db2.gz	AZGNYLLLMQFBBQ-SSDOTTSWSA-N	-1	0	231.273	1.713	50	30		BDEARM
N#Cc1cccnc1N1CCC(C(=O)[O-])CC1	ZINC000022211442	132332594	/nfs/dbraw/zinc/33/25/94/132332594.db2.gz	DKBHQJLOWMRHHH-UHFFFAOYSA-N	-1	0	231.255	1.254	50	30		BDEARM
C#CCN(CC#C)C(=O)c1cccc(C(=O)[O-])c1	ZINC000097022392	166162410	/nfs/dbraw/zinc/16/24/10/166162410.db2.gz	GBWUJDMLQAPBAR-UHFFFAOYSA-N	-1	0	241.246	1.093	50	30		BDEARM
C#CCNC(=O)c1ccc([O-])c(Cl)c1	ZINC000019836520	166186466	/nfs/dbraw/zinc/18/64/66/166186466.db2.gz	KUSPGLAMCLBNTB-UHFFFAOYSA-N	-1	0	209.632	1.409	50	30		BDEARM
CC(C)NC(=O)/C(=N\[O-])c1ccccc1	ZINC000100297374	167035713	/nfs/dbraw/zinc/03/57/13/167035713.db2.gz	LOFNXXPXVNERGA-RAXLEYEMSA-N	-1	0	206.245	1.390	50	30		BDEARM
COC(=O)N=c1[n-]nc(-c2ccncc2)s1	ZINC000001056464	173491429	/nfs/dbraw/zinc/49/14/29/173491429.db2.gz	XJXZKPNWNLLCSC-UHFFFAOYSA-N	-1	0	236.256	1.792	50	30		BDEARM
COc1ccc2[n-]cc(C#N)c(=O)c2c1	ZINC000016941254	175201733	/nfs/dbraw/zinc/20/17/33/175201733.db2.gz	OTDUOKQHVNMOLT-UHFFFAOYSA-N	-1	0	200.197	1.408	50	30		BDEARM
N#CC=C([O-])c1nc(C2OCCO2)cs1	ZINC000757124688	582499367	/nfs/dbraw/zinc/49/93/67/582499367.db2.gz	NSUUHAMDESLHQL-UHFFFAOYSA-N	-1	0	224.241	1.285	50	30		BDEARM
COc1cc(/C=C/C(=O)[O-])ccc1OCC#N	ZINC000002767857	342727017	/nfs/dbraw/zinc/72/70/17/342727017.db2.gz	OMDFXXAQWPQRQG-HWKANZROSA-N	-1	0	233.223	1.695	50	30		BDEARM
COc1cc(/C=N\[O-])cc([N+](=O)[O-])c1OC	ZINC000006170055	342774635	/nfs/dbraw/zinc/77/46/35/342774635.db2.gz	VNTOTONENLAUPP-YHYXMXQVSA-N	-1	0	226.188	1.420	50	30		BDEARM
CCc1[n-]c(=O)c(C#N)c2c1CO[C@H](C(C)C)C2	ZINC000000485678	343302420	/nfs/dbraw/zinc/30/24/20/343302420.db2.gz	ORKGLTGGQFVXJE-ZDUSSCGKSA-N	-1	0	246.310	1.906	50	30	biogenic	BDEARM
CCCCCCCCS(=O)(=O)CC(=O)[O-]	ZINC000043352221	343468639	/nfs/dbraw/zinc/46/86/39/343468639.db2.gz	UVRFGGUGGJXONU-UHFFFAOYSA-N	-1	0	236.333	1.846	50	30		BDEARM
O=C([O-])[C@@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1	ZINC000004812280	344275095	/nfs/dbraw/zinc/27/50/95/344275095.db2.gz	XYNPWEXGEXTCLB-PWSUYJOCSA-N	-1	0	232.235	1.886	50	30		BDEARM
Cc1cc(=O)oc2c3c(ccc12)OC/C3=N\[O-]	ZINC000000272366	344672669	/nfs/dbraw/zinc/67/26/69/344672669.db2.gz	HNFICSMJKHNUDK-MDWZMJQESA-N	-1	0	231.207	1.672	50	30	biogenic	BDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NN(C)C	ZINC000006556349	180330926	/nfs/dbraw/zinc/33/09/26/180330926.db2.gz	RETAYOCBNRUFPT-NTEUORMPSA-N	-1	0	244.298	1.782	50	30		BDEARM
CCOc1cc(C#N)ccc1OCC(=O)[O-]	ZINC000004219194	188276778	/nfs/dbraw/zinc/27/67/78/188276778.db2.gz	WJYZBSJPALPIQX-UHFFFAOYSA-N	-1	0	221.212	1.420	50	30		BDEARM
N#Cc1c[n-]c2ccc([N+](=O)[O-])cc2c1=O	ZINC000012505452	188279472	/nfs/dbraw/zinc/27/94/72/188279472.db2.gz	PZIXIFBGEDRCAM-UHFFFAOYSA-N	-1	0	215.168	1.308	50	30		BDEARM
[O-]/N=C1\CCCc2c1nn(-c1ccccc1)[n+]2[O-]	ZINC000018006225	188280692	/nfs/dbraw/zinc/28/06/92/188280692.db2.gz	ZYNLIBFRCCLRLW-GXDHUFHOSA-N	-1	0	244.254	1.020	50	30		BDEARM
COc1ccc(OCC#N)c(C(=O)[O-])c1	ZINC000037022377	188285840	/nfs/dbraw/zinc/28/58/40/188285840.db2.gz	FXNYHSGHVJWGNN-UHFFFAOYSA-N	-1	0	207.185	1.296	50	30		BDEARM
N#Cc1ccc(N2CC(C(=O)[O-])C2)cc1	ZINC000070569496	181114409	/nfs/dbraw/zinc/11/44/09/181114409.db2.gz	WNSFGMSOYHIMCH-UHFFFAOYSA-N	-1	0	202.213	1.079	50	30		BDEARM
N#Cc1ccc2[nH]c(C(=O)[O-])cc(=O)c2c1	ZINC000096029257	181131272	/nfs/dbraw/zinc/13/12/72/181131272.db2.gz	WWPIHIYRDBLORM-UHFFFAOYSA-N	-1	0	214.180	1.098	50	30		BDEARM
N#Cc1ccsc1NC(=O)/C=C\C(=O)[O-]	ZINC000101130910	181160056	/nfs/dbraw/zinc/16/00/56/181160056.db2.gz	VBGMLKGGJPAWLM-UPHRSURJSA-N	-1	0	222.225	1.199	50	30		BDEARM
N#Cc1nc(-c2ccccc2)oc1NCC(=O)[O-]	ZINC000028405937	181166987	/nfs/dbraw/zinc/16/69/87/181166987.db2.gz	WGXGUKXGMQMZRI-UHFFFAOYSA-N	-1	0	243.222	1.710	50	30		BDEARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc[nH]n1	ZINC000035074029	355771158	/nfs/dbraw/zinc/77/11/58/355771158.db2.gz	MQTDUWUYHTUVJA-RQJHMYQMSA-N	-1	0	236.231	1.060	50	30		BDEARM
COC/C(=N/[O-])c1ncc(F)cc1F	ZINC000116062896	370728868	/nfs/dbraw/zinc/72/88/68/370728868.db2.gz	HIDMWLNRQBGHFJ-GHXNOFRVSA-N	-1	0	202.160	1.185	50	30		BDEARM
CCc1[n-]c(=O)c(C#N)c2c1COC(C)(C)C2	ZINC000008686095	372849287	/nfs/dbraw/zinc/84/92/87/372849287.db2.gz	NQIAHIYKUSXOLP-UHFFFAOYSA-N	-1	0	232.283	1.660	50	30		BDEARM
CCCc1ncc(C(=O)[N-]S(C)(=O)=O)s1	ZINC000076758350	169595163	/nfs/dbraw/zinc/59/51/63/169595163.db2.gz	DRSYIOCLDGWPBR-UHFFFAOYSA-N	-1	0	248.329	1.360	50	30		BDEARM
[O-]/N=C/c1cc(Br)ccc1O	ZINC000011884746	384301126	/nfs/dbraw/zinc/30/11/26/384301126.db2.gz	YSDJVLAQRCCLPB-RUDMXATFSA-N	-1	0	216.034	1.963	50	30		BDEARM
COC(=O)/C(=N\[O-])c1c[nH]c2ccccc21	ZINC000016671177	384465004	/nfs/dbraw/zinc/46/50/04/384465004.db2.gz	GTPFAXDSMSVVGQ-RAXLEYEMSA-N	-1	0	218.212	1.519	50	30		BDEARM
O=C([O-])[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000097439036	384520514	/nfs/dbraw/zinc/52/05/14/384520514.db2.gz	IJSPOBHLFLGFMQ-REOHCLBHSA-N	-1	0	242.046	1.630	50	30		BDEARM
N#CC(C#N)=N[N-]c1ccccc1[N+](=O)[O-]	ZINC000004752104	384701505	/nfs/dbraw/zinc/70/15/05/384701505.db2.gz	NKWOBFAONPVDDE-UHFFFAOYSA-N	-1	0	215.172	1.410	50	30		BDEARM
C#CCN(C)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000055358970	386171753	/nfs/dbraw/zinc/17/17/53/386171753.db2.gz	TVZHHMGIGBJRME-GFCCVEGCSA-N	-1	0	235.258	1.825	50	30		BDEARM
CCS(=O)(=O)[N-]c1cccc(C)c1C#N	ZINC000130315269	387427312	/nfs/dbraw/zinc/42/73/12/387427312.db2.gz	JPIRAWACWLUZGH-UHFFFAOYSA-N	-1	0	224.285	1.628	50	30		BDEARM
C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000043867379	166152113	/nfs/dbraw/zinc/15/21/13/166152113.db2.gz	DPHIBCOGEUVKGB-MRVPVSSYSA-N	-1	0	227.260	1.378	50	30		BDEARM
C#CCN(C(C)=O)c1cccc(C(=O)[O-])c1	ZINC000020281939	166155924	/nfs/dbraw/zinc/15/59/24/166155924.db2.gz	HKNFADKILNIINJ-UHFFFAOYSA-N	-1	0	217.224	1.371	50	30		BDEARM
CCOC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000004637550	170290800	/nfs/dbraw/zinc/29/08/00/170290800.db2.gz	UCDROSIPSKGDQH-UHFFFAOYSA-N	-1	0	238.268	1.557	50	30		BDEARM
COc1ccc(C/C(=N\O)C(=O)[O-])cc1	ZINC000013398595	175083120	/nfs/dbraw/zinc/08/31/20/175083120.db2.gz	IQZHUSREBYJGPY-PKNBQFBNSA-N	-1	0	209.201	1.153	50	30		BDEARM
O=C([O-])c1cccc(-n2cccc2C=NO)c1	ZINC000245246799	526386975	/nfs/dbraw/zinc/38/69/75/526386975.db2.gz	OFYDQOMTSGVDQY-UHFFFAOYSA-N	-1	0	230.223	1.984	50	30		BDEARM
N#CCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000170599273	584883082	/nfs/dbraw/zinc/88/30/82/584883082.db2.gz	VHWILHKVZAQIIS-UHFFFAOYSA-N	-1	0	233.252	1.969	50	30		BDEARM
COc1ccc(Cl)cc1NC(=O)/C=N/[O-]	ZINC000004219017	342744523	/nfs/dbraw/zinc/74/45/23/342744523.db2.gz	PQBVQTQRUFZFOI-VZUCSPMQSA-N	-1	0	228.635	1.747	50	30		BDEARM
CC(=O)/C(=N\[O-])C(=O)Nc1ccccc1C	ZINC000005711743	342768901	/nfs/dbraw/zinc/76/89/01/342768901.db2.gz	MNKDAXBSEYKHQN-JLHYYAGUSA-N	-1	0	220.228	1.353	50	30		BDEARM
O=C1N/C(=N\[O-])c2c1cc(Cl)cc2Cl	ZINC000016157416	342907303	/nfs/dbraw/zinc/90/73/03/342907303.db2.gz	JASZYXMTBPVBCY-UHFFFAOYSA-N	-1	0	231.038	1.873	50	30		BDEARM
CC(C)(C)OC(=O)N1C[C@H](C#N)C[C@H]1C(=O)[O-]	ZINC000034382987	343268857	/nfs/dbraw/zinc/26/88/57/343268857.db2.gz	MIVXQYMYEMUMKK-YUMQZZPRSA-N	-1	0	240.259	1.220	50	30		BDEARM
CCOc1cc(/C=N/[O-])cc([N+](=O)[O-])c1O	ZINC000004819741	343273485	/nfs/dbraw/zinc/27/34/85/343273485.db2.gz	ALHAIRVVIBXYHP-BJMVGYQFSA-N	-1	0	226.188	1.507	50	30		BDEARM
C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC000004691263	343963865	/nfs/dbraw/zinc/96/38/65/343963865.db2.gz	GLYNVMFRDBZYAJ-VIFPVBQESA-N	-1	0	246.266	1.998	50	30		BDEARM
O=C([O-])[C@H]1CCCN1/C=C\C(=O)C(F)(F)F	ZINC000033620151	344882478	/nfs/dbraw/zinc/88/24/78/344882478.db2.gz	CRARUCXWDNEBTJ-CWVDAHFDSA-N	-1	0	237.177	1.181	50	30		BDEARM
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000038530109	348704481	/nfs/dbraw/zinc/70/44/81/348704481.db2.gz	RFAQWADNTLIWMG-RDDDGLTNSA-N	-1	0	227.260	1.540	50	30		BDEARM
CSc1cc(=O)[n-]c(SC)c1C#N	ZINC000040487564	350369323	/nfs/dbraw/zinc/36/93/23/350369323.db2.gz	DHPVMJBTQQENEF-UHFFFAOYSA-N	-1	0	212.299	1.690	50	30		BDEARM
Cc1nnc(C)n1/N=C/c1ccccc1C(=O)[O-]	ZINC000005943318	180398816	/nfs/dbraw/zinc/39/88/16/180398816.db2.gz	GTFWOGLHKZOEPA-NTUHNPAUSA-N	-1	0	244.254	1.475	50	30		BDEARM
C[C@H](Cc1cccs1)C(=O)[N-]S(C)(=O)=O	ZINC000076758315	187598947	/nfs/dbraw/zinc/59/89/47/187598947.db2.gz	WAHZJROIRQFKKS-SSDOTTSWSA-N	-1	0	247.341	1.843	50	30		BDEARM
C=CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000036427943	188255265	/nfs/dbraw/zinc/25/52/65/188255265.db2.gz	DGEZDWGCGXHLEW-NSHDSACASA-N	-1	0	249.266	1.942	50	30		BDEARM
C=CCCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC000054399455	188354253	/nfs/dbraw/zinc/35/42/53/188354253.db2.gz	NTJRSUCGNYCBNO-PSASIEDQSA-N	-1	0	213.277	1.568	50	30		BDEARM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CCCO2)c1	ZINC000096450056	188365097	/nfs/dbraw/zinc/36/50/97/188365097.db2.gz	DATXSEBLQJRFQL-SNVBAGLBSA-N	-1	0	246.266	1.771	50	30		BDEARM
C=C(C)C[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000186401201	353869017	/nfs/dbraw/zinc/86/90/17/353869017.db2.gz	YOTVYHIKYBJCON-MRVPVSSYSA-N	-1	0	243.270	1.694	50	30		BDEARM
N#C/C(=N/[O-])c1nc2ccccc2s1	ZINC000095921995	181025537	/nfs/dbraw/zinc/02/55/37/181025537.db2.gz	USOUGMJKPPEOEY-GHXNOFRVSA-N	-1	0	203.226	1.998	50	30		BDEARM
N#Cc1cc(Br)c(C2CC2)[n-]c1=O	ZINC000029753766	181081485	/nfs/dbraw/zinc/08/14/85/181081485.db2.gz	GAHGJKPNUCANQV-UHFFFAOYSA-N	-1	0	239.072	1.886	50	30		BDEARM
N#Cc1ccc(C[C@H](C#N)C(=O)[O-])cc1	ZINC000098210065	181110602	/nfs/dbraw/zinc/11/06/02/181110602.db2.gz	DSECWSXVNFIMLO-SNVBAGLBSA-N	-1	0	200.197	1.325	50	30		BDEARM
N#Cc1ccc(C[C@@H](C#N)C(=O)[O-])cc1	ZINC000098210064	181110745	/nfs/dbraw/zinc/11/07/45/181110745.db2.gz	DSECWSXVNFIMLO-JTQLQIEISA-N	-1	0	200.197	1.325	50	30		BDEARM
N#Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1	ZINC000000116586	181117615	/nfs/dbraw/zinc/11/76/15/181117615.db2.gz	RPHFOECPERWGCT-AATRIKPKSA-N	-1	0	216.196	1.138	50	30		BDEARM
N#Cc1cn(-c2ccccc2Cl)c(=O)[n-]c1=O	ZINC000000161376	181161880	/nfs/dbraw/zinc/16/18/80/181161880.db2.gz	UVSIKTWSCJKJJQ-UHFFFAOYSA-N	-1	0	247.641	1.051	50	30		BDEARM
N/C(=N/[O-])c1nsc(Nc2ccccc2)n1	ZINC000017206900	181179036	/nfs/dbraw/zinc/17/90/36/181179036.db2.gz	LLSNNNHGMMFZSI-UHFFFAOYSA-N	-1	0	235.272	1.376	50	30		BDEARM
N/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000004280847	181184973	/nfs/dbraw/zinc/18/49/73/181184973.db2.gz	MFGATNXEAQDBJY-QDEBKDIKSA-N	-1	0	205.044	1.992	50	30		BDEARM
CC(C)(C#N)CCS(=O)(=O)c1ncc[n-]1	ZINC000078821011	371141170	/nfs/dbraw/zinc/14/11/70/371141170.db2.gz	ZNKCHNNQLLYESG-UHFFFAOYSA-N	-1	0	227.289	1.123	50	30		BDEARM
Cc1c(Br)c[n-]c(=O)c1C#N	ZINC000031776923	372100928	/nfs/dbraw/zinc/10/09/28/372100928.db2.gz	REOPINQMTRITRR-UHFFFAOYSA-N	-1	0	213.034	1.318	50	30		BDEARM
CCCN1c2ccccc2/C(=N/[O-])C1=O	ZINC000100128848	169183289	/nfs/dbraw/zinc/18/32/89/169183289.db2.gz	WUZACTGDMOXIHA-BENRWUELSA-N	-1	0	204.229	1.622	50	30		BDEARM
C=CCN(CC=C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000236436803	134450079	/nfs/dbraw/zinc/45/00/79/134450079.db2.gz	CLLHTTSGXVEEHF-WDEREUQCSA-N	-1	0	237.299	1.688	50	30		BDEARM
C=CCNc1nc2[nH]c(=O)cc([O-])c2s1	ZINC000006620384	387592353	/nfs/dbraw/zinc/59/23/53/387592353.db2.gz	APTYAKLBQSQKMX-UHFFFAOYSA-N	-1	0	223.257	1.700	50	30		BDEARM
COC(=O)c1nc(C#N)c(-c2ccco2)cc1[O-]	ZINC000070633566	388730865	/nfs/dbraw/zinc/73/08/65/388730865.db2.gz	QZAQLAGTULILAE-UHFFFAOYSA-N	-1	0	244.206	1.705	50	30	biogenic,in-vitro	BDEARM
C#CCOc1cc(/C=C/C(=O)[O-])ccc1OC	ZINC000002585599	166197564	/nfs/dbraw/zinc/19/75/64/166197564.db2.gz	NRKUSLPZZSYOAU-FNORWQNLSA-N	-1	0	232.235	1.805	50	30		BDEARM
C#CCOc1ccccc1/C=C/C(=O)[O-]	ZINC000002585621	166200006	/nfs/dbraw/zinc/20/00/06/166200006.db2.gz	DGBJZHZBHGQIEW-BQYQJAHWSA-N	-1	0	202.209	1.796	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C)s1	ZINC000086138063	166325783	/nfs/dbraw/zinc/32/57/83/166325783.db2.gz	NOTINCNJSBWJET-UHFFFAOYSA-N	-1	0	239.296	1.769	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000021298008	166326221	/nfs/dbraw/zinc/32/62/21/166326221.db2.gz	FTLUYABUJZUQON-UHFFFAOYSA-N	-1	0	215.249	1.494	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)CC(C)(C)C	ZINC000086138043	166326592	/nfs/dbraw/zinc/32/65/92/166326592.db2.gz	PRQGGVWFJSNAMJ-UHFFFAOYSA-N	-1	0	213.277	1.522	50	30		BDEARM
CCOC(=O)N=S(=O)([O-])c1ccc(C)cc1	ZINC000000046534	170178870	/nfs/dbraw/zinc/17/88/70/170178870.db2.gz	DFWQXANLGSXMKF-UHFFFAOYSA-N	-1	0	243.284	1.634	50	30		BDEARM
CCOC(=O)C(C#N)=C([O-])c1ccc(N)cc1	ZINC000000051013	170263001	/nfs/dbraw/zinc/26/30/01/170263001.db2.gz	KKXODNXRKUAVRF-SNVBAGLBSA-N	-1	0	232.239	1.154	50	30		BDEARM
CCOC(=O)c1c[n-]c2c(C#N)cccc2c1=O	ZINC000008925783	170302020	/nfs/dbraw/zinc/30/20/20/170302020.db2.gz	IOXBKBFKCYONPW-UHFFFAOYSA-N	-1	0	242.234	1.989	50	30		BDEARM
COc1ccc(C(=O)/C=C/C(=O)[O-])cc1OC	ZINC000003643364	175052029	/nfs/dbraw/zinc/05/20/29/175052029.db2.gz	QUWWWXPLUJFEHM-GQCTYLIASA-N	-1	0	236.223	1.527	50	30		BDEARM
COc1ccc(C(=O)/C=C/C(=O)[O-])c(OC)c1	ZINC000001383614	175052232	/nfs/dbraw/zinc/05/22/32/175052232.db2.gz	CGJMPMCLHKGKJV-AATRIKPKSA-N	-1	0	236.223	1.527	50	30		BDEARM
C[C@]1(C#N)CCCN(C(=O)CCC(=O)[O-])C1	ZINC000534670096	323158736	/nfs/dbraw/zinc/15/87/36/323158736.db2.gz	BGRZRSJFHIOQAO-LLVKDONJSA-N	-1	0	224.260	1.003	50	30		BDEARM
COc1ccc(C(=N[O-])C(C)(C)O)cc1	ZINC000254306901	642709407	/nfs/dbraw/zinc/70/94/07/642709407.db2.gz	CGEZMFBKMHEEFA-UHFFFAOYSA-N	-1	0	209.245	1.644	50	30		BDEARM
Cc1ccc(C#N)c(SCC(=O)[O-])n1	ZINC000000052930	178366760	/nfs/dbraw/zinc/36/67/60/178366760.db2.gz	QYCYSQBOJXUZOE-UHFFFAOYSA-N	-1	0	208.242	1.438	50	30		BDEARM
O=C(C(=N[O-])c1ccccc1)N1CCCCC1	ZINC000254577199	398319561	/nfs/dbraw/zinc/31/95/61/398319561.db2.gz	KWWZFTGKXYCQQT-UHFFFAOYSA-N	-1	0	232.283	1.877	50	30		BDEARM
Cc1ccc(S(=O)(=O)NC(=S)[S-])cc1	ZINC000006522616	178824669	/nfs/dbraw/zinc/82/46/69/178824669.db2.gz	SZIJCAQOUZBADT-UHFFFAOYSA-N	-1	0	247.366	1.899	50	30		BDEARM
C/C(=N\[O-])c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000004551123	188276718	/nfs/dbraw/zinc/27/67/18/188276718.db2.gz	WVZLURDRTWPBOB-WUXMJOGZSA-N	-1	0	248.194	1.899	50	30		BDEARM
CC(=N\O)/C(=N\[O-])[C@@H]1[C@H](CC#N)C1(C)C	ZINC000005165048	188277556	/nfs/dbraw/zinc/27/75/56/188277556.db2.gz	DQRZSLPEMXSNEW-UOZKMSLCSA-N	-1	0	209.249	1.853	50	30		BDEARM
CC(=N\O)/C(=N\[O-])C(=O)c1ccccc1	ZINC000016982882	188347558	/nfs/dbraw/zinc/34/75/58/188347558.db2.gz	UFIJWQKLMBHNLN-HNWKWBPYSA-N	-1	0	206.201	1.550	50	30		BDEARM
C=CCCC(=O)N[C@](C)(CCC)C(=O)[O-]	ZINC000054399756	188353963	/nfs/dbraw/zinc/35/39/63/188353963.db2.gz	QYXWNUPQYSHGBV-LLVKDONJSA-N	-1	0	213.277	1.712	50	30		BDEARM
C=CCCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000061609004	188404721	/nfs/dbraw/zinc/40/47/21/188404721.db2.gz	KKHYSZFOAHJKAC-GFCCVEGCSA-N	-1	0	247.294	1.937	50	30		BDEARM
N#C/C(=N\[O-])c1nc2ccccc2s1	ZINC000013132499	181025104	/nfs/dbraw/zinc/02/51/04/181025104.db2.gz	USOUGMJKPPEOEY-KPKJPENVSA-N	-1	0	203.226	1.998	50	30		BDEARM
N#CCN(CC(=O)[O-])c1cccc(Cl)c1	ZINC000037474521	181040200	/nfs/dbraw/zinc/04/02/00/181040200.db2.gz	GMWKRMYQFTWUIT-UHFFFAOYSA-N	-1	0	224.647	1.755	50	30		BDEARM
N#Cc1cc(C(=O)[O-])cnc1C(F)(F)F	ZINC000238853741	181084567	/nfs/dbraw/zinc/08/45/67/181084567.db2.gz	KPYGQTPIFSUUEL-UHFFFAOYSA-N	-1	0	216.118	1.670	50	30		BDEARM
N#Cc1ccc2ccn(CC(=O)[O-])c2c1	ZINC000020457281	181133378	/nfs/dbraw/zinc/13/33/78/181133378.db2.gz	DKPDKFSJDCYCNW-UHFFFAOYSA-N	-1	0	200.197	1.598	50	30		BDEARM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000013352529	355850948	/nfs/dbraw/zinc/85/09/48/355850948.db2.gz	WMEYSZDBMIOXDV-QMMMGPOBSA-N	-1	0	227.260	1.378	50	30		BDEARM
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=N[O-]	ZINC000252629054	364379567	/nfs/dbraw/zinc/37/95/67/364379567.db2.gz	TXPJFTDJGBIQCE-UHFFFAOYSA-N	-1	0	235.199	1.058	50	30		BDEARM
[O-]N=C1C[C@@](O)(C(F)(F)F)Oc2ccccc21	ZINC000252630089	364389367	/nfs/dbraw/zinc/38/93/67/364389367.db2.gz	UUGOBBSNVJGXCI-VIFPVBQESA-N	-1	0	247.172	1.898	50	30		BDEARM
CC(=O)OC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000019703282	371183517	/nfs/dbraw/zinc/18/35/17/371183517.db2.gz	KDKSFHSCJJIDBU-UHFFFAOYSA-N	-1	0	232.191	1.398	50	30	biogenic	BDEARM
O=C([O-])CCCNC(=O)c1cccnc1	ZINC000082145012	182434302	/nfs/dbraw/zinc/43/43/02/182434302.db2.gz	NAJVRARAUNYNDX-UHFFFAOYSA-N	-1	0	208.217	1.251	50	30		BDEARM
O=C1Nc2c(cccc2C(F)(F)F)/C1=N/[O-]	ZINC000004801778	182821716	/nfs/dbraw/zinc/82/17/16/182821716.db2.gz	WDWZZWHEMKGLOB-UHFFFAOYSA-N	-1	0	230.145	1.836	50	30		BDEARM
O=c1cn[n-]c(N/N=C/C=C/c2ccccc2)n1	ZINC000001776349	183006452	/nfs/dbraw/zinc/00/64/52/183006452.db2.gz	QMUGIUQBOIGANK-ZAUJTXRMSA-N	-1	0	241.254	1.276	50	30		BDEARM
O=c1cnnc(NN=Cc2ccc(Cl)cc2)[n-]1	ZINC000003901910	183305743	/nfs/dbraw/zinc/30/57/43/183305743.db2.gz	RDOHAJBNQDRZQV-LFYBBSHMSA-N	-1	0	249.661	1.677	50	30		BDEARM
[O-]/N=C1/C[C@@](O)(C(F)(F)F)Oc2ccccc21	ZINC000004567722	384070426	/nfs/dbraw/zinc/07/04/26/384070426.db2.gz	UUGOBBSNVJGXCI-VUPJLDGMSA-N	-1	0	247.172	1.898	50	30		BDEARM
Cc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1	ZINC000000367110	384142920	/nfs/dbraw/zinc/14/29/20/384142920.db2.gz	GVIGNRFQIPDHAN-UHFFFAOYSA-N	-1	0	211.224	1.617	50	30		BDEARM
CC(=O)/C(=N/[O-])C(=O)Nc1ccc(C)cc1C	ZINC000012504646	384323309	/nfs/dbraw/zinc/32/33/09/384323309.db2.gz	SMGXMOJSLVDNFW-KAMYIIQDSA-N	-1	0	234.255	1.661	50	30		BDEARM
CCCCCCCCC[C@H](O)[C@@H](O)C(=O)[O-]	ZINC000101446950	384407075	/nfs/dbraw/zinc/40/70/75/384407075.db2.gz	JJIJQULYODNGKJ-WDEREUQCSA-N	-1	0	232.320	1.934	50	30		BDEARM
CCO[N-]C(=O)COc1ccc(C#N)cc1	ZINC000017821443	384422583	/nfs/dbraw/zinc/42/25/83/384422583.db2.gz	SXYFGKWSOVKIHF-UHFFFAOYSA-N	-1	0	220.228	1.005	50	30		BDEARM
C[C@@H](Cc1cccs1)C(=O)[N-]S(C)(=O)=O	ZINC000076758313	384700257	/nfs/dbraw/zinc/70/02/57/384700257.db2.gz	WAHZJROIRQFKKS-ZETCQYMHSA-N	-1	0	247.341	1.843	50	30		BDEARM
C[C@@H](C#N)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000081791242	384736602	/nfs/dbraw/zinc/73/66/02/384736602.db2.gz	AJPVGSBAVBWCTO-LURJTMIESA-N	-1	0	240.209	1.560	50	30		BDEARM
CC(=O)n1c(C#N)c([O-])c2ccccc21	ZINC000000190888	388609128	/nfs/dbraw/zinc/60/91/28/388609128.db2.gz	GXVBFNOSYWQDCF-UHFFFAOYSA-N	-1	0	200.197	1.879	50	30		BDEARM
C=CCN1C(=O)/C(=N\[O-])c2cc([N+](=O)[O-])ccc21	ZINC000046084741	411153878	/nfs/dbraw/zinc/15/38/78/411153878.db2.gz	KCVKYJUAKDOIJB-BENRWUELSA-N	-1	0	247.210	1.306	50	30		BDEARM
CC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000048869726	411219939	/nfs/dbraw/zinc/21/99/39/411219939.db2.gz	QKBVAXVAGIVSFQ-VIFPVBQESA-N	-1	0	248.348	1.720	50	30		BDEARM
Cc1[n-]oc(=O)c1N=Nc1cccnc1Cl	ZINC000018192394	168136481	/nfs/dbraw/zinc/13/64/81/168136481.db2.gz	HMAWNYXVDLJMPG-QPEQYQDCSA-N	-1	0	238.634	1.436	50	30		BDEARM
COc1ccc2c(c1)CCC(C=O)=C2[O-]	ZINC000100066590	175209791	/nfs/dbraw/zinc/20/97/91/175209791.db2.gz	NTVKOYKLIKUWHM-VIFPVBQESA-N	-1	0	204.225	1.639	50	30		BDEARM
CSC(=N)NN=Cc1ccc(C(=O)[O-])cc1	ZINC000019791785	175440788	/nfs/dbraw/zinc/44/07/88/175440788.db2.gz	FHAGFKCZSVMQOU-WUXMJOGZSA-N	-1	0	237.284	1.606	50	30		BDEARM
CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C	ZINC000084686931	488079943	/nfs/dbraw/zinc/07/99/43/488079943.db2.gz	PYUNTHCIOGKZAE-SFYZADRCSA-N	-1	0	219.306	1.585	50	30		BDEARM
CCCCCCCCNC(=O)/C(=N/[O-])C(C)=O	ZINC000100167902	520032832	/nfs/dbraw/zinc/03/28/32/520032832.db2.gz	CYXPYVUTNIWBCI-SDNWHVSQSA-N	-1	0	242.319	1.882	50	30		BDEARM
N#CC1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000237946406	526432289	/nfs/dbraw/zinc/43/22/89/526432289.db2.gz	WNHRZSLGQBFYIL-SECBINFHSA-N	-1	0	236.271	1.003	50	30		BDEARM
O=C([O-])C1=C(Cl)C(=O)c2ccccc21	ZINC000145718502	527560022	/nfs/dbraw/zinc/56/00/22/527560022.db2.gz	PVDUPRDEFJUIKG-UHFFFAOYSA-N	-1	0	208.600	1.917	50	30		BDEARM
N/C(=C\C(=O)c1ccccc1[O-])C(F)F	ZINC000018255725	643079893	/nfs/dbraw/zinc/07/98/93/643079893.db2.gz	SNGGWWAPIHPOCH-ALCCZGGFSA-N	-1	0	213.183	1.683	50	30		BDEARM
CC(C)(C)OC(=O)N1CC[C@H](C#CC(=O)[O-])C1	ZINC000950757384	974039283	/nfs/dbraw/zinc/03/92/83/974039283.db2.gz	YJQOIVABVRECIP-VIFPVBQESA-N	-1	0	239.271	1.331	50	30		BDEARM
CC(C)(C)OC(=O)N1CC[C@@H](C#CC(=O)[O-])C1	ZINC000950757383	974039312	/nfs/dbraw/zinc/03/93/12/974039312.db2.gz	YJQOIVABVRECIP-SECBINFHSA-N	-1	0	239.271	1.331	50	30		BDEARM
Cc1cc([O-])n(Cc2cccnc2)c(=O)c1C#N	ZINC000016752915	178201064	/nfs/dbraw/zinc/20/10/64/178201064.db2.gz	RAPNZYKJYGHHCU-UHFFFAOYSA-N	-1	0	241.250	1.177	50	30		BDEARM
C#CCc1ncccc1-c1nc(C#N)c(C#N)[n-]1	ZINC000328578439	259369994	/nfs/dbraw/zinc/36/99/94/259369994.db2.gz	LLVXJBDGPASYMO-UHFFFAOYSA-N	-1	0	233.234	1.391	50	30		BDEARM
C=CCc1cccc(/C=N/NC(N)=S)c1O	ZINC000000028098	343925524	/nfs/dbraw/zinc/92/55/24/343925524.db2.gz	ICSNLUNPNUEXPF-NTUHNPAUSA-N	-1	0	235.312	1.288	50	30		BDEARM
C=C(C)CN(C)C(=O)c1ccc(C(=O)[O-])cn1	ZINC000135313648	344160842	/nfs/dbraw/zinc/16/08/42/344160842.db2.gz	PHAHAZXLTWLXER-UHFFFAOYSA-N	-1	0	234.255	1.428	50	30		BDEARM
COc1cc(C#N)ccc1OCCCC(=O)[O-]	ZINC000019272688	344435917	/nfs/dbraw/zinc/43/59/17/344435917.db2.gz	NXACKLUACWSJRP-UHFFFAOYSA-N	-1	0	235.239	1.810	50	30		BDEARM
O=C1c2nc3ccccc3nc2C(=O)C(O)=C1[O-]	ZINC000100808444	191063823	/nfs/dbraw/zinc/06/38/23/191063823.db2.gz	ADXGUJPMVBJHFH-UHFFFAOYSA-N	-1	0	242.190	1.336	50	30		BDEARM
N#CCc1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC000004054436	188275284	/nfs/dbraw/zinc/27/52/84/188275284.db2.gz	CLTSPQXWKLFMKL-SNVBAGLBSA-N	-1	0	247.279	1.474	50	30		BDEARM
CN(C)c1ccc([N+](=O)[O-])cc1/C=N\[O-]	ZINC000004181937	353393991	/nfs/dbraw/zinc/39/39/91/353393991.db2.gz	MUZGBIFDJMFSQI-POHAHGRESA-N	-1	0	209.205	1.469	50	30		BDEARM
N#Cc1c([S-])[nH]c(=O)cc1C(F)(F)F	ZINC000006505196	181072898	/nfs/dbraw/zinc/07/28/98/181072898.db2.gz	RECUJTRTRXDLFV-UHFFFAOYSA-N	-1	0	220.175	1.554	50	30		BDEARM
N#Cc1c2c([nH]c(=O)c1C(=O)[O-])CCCCCC2	ZINC000078550010	181078964	/nfs/dbraw/zinc/07/89/64/181078964.db2.gz	NPFZEWGXWXYJJA-UHFFFAOYSA-N	-1	0	246.266	1.604	50	30		BDEARM
NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000082059029	181203219	/nfs/dbraw/zinc/20/32/19/181203219.db2.gz	CNRAIJZCOJXFAK-QMMMGPOBSA-N	-1	0	236.227	1.370	50	30		BDEARM
CC(=O)C1=C(C(=O)[O-])SC2=C(CCCC2)N1	ZINC000100203738	383902820	/nfs/dbraw/zinc/90/28/20/383902820.db2.gz	MCZAXOXJNFRUEU-UHFFFAOYSA-N	-1	0	239.296	1.994	50	30		BDEARM
C/C(C[C@](O)(/C=N/[O-])c1ccccc1)=N\O	ZINC000013758398	384373535	/nfs/dbraw/zinc/37/35/35/384373535.db2.gz	YPDDLKPWPQSEFM-RNAWGOFKSA-N	-1	0	222.244	1.574	50	30		BDEARM
C[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1	ZINC000082067975	384644230	/nfs/dbraw/zinc/64/42/30/384644230.db2.gz	HYWJKPFAIAWVHP-VIFPVBQESA-N	-1	0	237.255	1.980	50	30		BDEARM
O=S1(=O)CC/C(=N\[O-])c2ccsc21	ZINC000100915746	384658599	/nfs/dbraw/zinc/65/85/99/384658599.db2.gz	KXOYVFLDMXQWAI-SOFGYWHQSA-N	-1	0	217.271	1.104	50	30		BDEARM
C=CCOc1ccccc1OCC(=O)[O-]	ZINC000031773422	387070907	/nfs/dbraw/zinc/07/09/07/387070907.db2.gz	GMLTWIWHRHGZJA-UHFFFAOYSA-N	-1	0	208.213	1.715	50	30		BDEARM
N#CC1=C([O-])NC(=O)N(c2ccccc2Cl)C1	ZINC000095704910	388784290	/nfs/dbraw/zinc/78/42/90/388784290.db2.gz	VKRIEQIOXPMOJV-ZETCQYMHSA-N	-1	0	249.657	1.536	50	30		BDEARM
N#Cc1ccccc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000015443101	132323050	/nfs/dbraw/zinc/32/30/50/132323050.db2.gz	DPCRZOIVBBSRNW-LLVKDONJSA-N	-1	0	230.267	1.859	50	30		BDEARM
C#CC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000061857157	166108155	/nfs/dbraw/zinc/10/81/55/166108155.db2.gz	GDSDMGQBWTWVAI-UHFFFAOYSA-N	-1	0	203.197	1.265	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)Cc1ccsc1	ZINC000086138080	166326598	/nfs/dbraw/zinc/32/65/98/166326598.db2.gz	CXWZZVTVUHHDIE-UHFFFAOYSA-N	-1	0	239.296	1.390	50	30		BDEARM
C=CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000001604341	166386989	/nfs/dbraw/zinc/38/69/89/166386989.db2.gz	SLRAUCUDDYGPJP-RKDXNWHRSA-N	-1	0	211.261	1.180	50	30		BDEARM
N#C/C(=N/[O-])C(=O)Nc1cccc(Cl)c1	ZINC000101390793	410769223	/nfs/dbraw/zinc/76/92/23/410769223.db2.gz	CHFJVWQHAWMDQR-JYRVWZFOSA-N	-1	0	223.619	1.632	50	30		BDEARM
CCOC(=O)C(C#N)=C([O-])c1ccco1	ZINC000012016189	170263564	/nfs/dbraw/zinc/26/35/64/170263564.db2.gz	MGSRVZOQMCXRTG-SSDOTTSWSA-N	-1	0	207.185	1.165	50	30		BDEARM
COc1ccc(/C=C/C(=O)C(=O)[O-])cc1OC	ZINC000002167958	175046517	/nfs/dbraw/zinc/04/65/17/175046517.db2.gz	SHUJCNYJGLPHKM-HWKANZROSA-N	-1	0	236.223	1.371	50	30		BDEARM
COc1cccc2c1[n-]cc(C#N)c2=O	ZINC000015828979	175299912	/nfs/dbraw/zinc/29/99/12/175299912.db2.gz	PPOYMBZZLRCTCT-UHFFFAOYSA-N	-1	0	200.197	1.821	50	30		BDEARM
C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCS	ZINC000000235512	176136202	/nfs/dbraw/zinc/13/62/02/176136202.db2.gz	UHIOKYGCFGNNCU-HTQZYQBOSA-N	-1	0	231.317	1.161	50	30	biogenic,in-vitro	BDEARM
CCOc1ccc(/C=C/C(=O)C(=O)[O-])cc1	ZINC000057951357	488050148	/nfs/dbraw/zinc/05/01/48/488050148.db2.gz	HJKMBPVZEOESLB-VMPITWQZSA-N	-1	0	220.224	1.752	50	30		BDEARM
N#CC(=N[O-])c1nc2ccccc2s1	ZINC000254733339	526429810	/nfs/dbraw/zinc/42/98/10/526429810.db2.gz	USOUGMJKPPEOEY-UHFFFAOYSA-N	-1	0	203.226	1.998	50	30		BDEARM
C[C@H](C#N)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700361134	711990914	/nfs/dbraw/zinc/99/09/14/711990914.db2.gz	XDJOLFSBHBPDNR-YUMQZZPRSA-N	-1	0	242.275	1.514	50	30		BDEARM
O=C1C=CC(=O)c2[n-]c(C(F)(F)F)nc21	ZINC000004023725	342740983	/nfs/dbraw/zinc/74/09/83/342740983.db2.gz	CKPHSLLNPQFTBR-UHFFFAOYSA-N	-1	0	216.118	1.364	50	30		BDEARM
CCC(CC)S(=O)(=O)[N-]C(=O)C1CC1	ZINC000084727691	168395408	/nfs/dbraw/zinc/39/54/08/168395408.db2.gz	AYPWQMKATKSSHM-UHFFFAOYSA-N	-1	0	219.306	1.871	50	30		BDEARM
N#Cc1ccc([O-])c(NC(=O)c2cc[nH]n2)c1	ZINC000075092732	345840863	/nfs/dbraw/zinc/84/08/63/345840863.db2.gz	GZYRHWPYKRGTSD-UHFFFAOYSA-N	-1	0	228.211	1.239	50	30		BDEARM
C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC000000100905	346210056	/nfs/dbraw/zinc/21/00/56/346210056.db2.gz	VNRJOHQSSZYWBV-VIFPVBQESA-N	-1	0	246.266	1.998	50	30		BDEARM
Cc1nc(OCC(=O)[O-])c(C#N)c2c1CCCC2	ZINC000013690440	180027055	/nfs/dbraw/zinc/02/70/55/180027055.db2.gz	YNRIFTQGCJWDFB-UHFFFAOYSA-N	-1	0	246.266	1.604	50	30		BDEARM
CC(N=Nc1ncnc2ccccc21)C(=O)[O-]	ZINC000004536824	187639198	/nfs/dbraw/zinc/63/91/98/187639198.db2.gz	SBJZWEHFFRRLQI-VGOFMYFVSA-N	-1	0	230.227	1.502	50	30		BDEARM
C=CCCC(=O)NC(C)(C)CCC(=O)[O-]	ZINC000054400126	187662475	/nfs/dbraw/zinc/66/24/75/187662475.db2.gz	YMDJAIKZSSDVMD-UHFFFAOYSA-N	-1	0	213.277	1.712	50	30		BDEARM
N#Cc1cccc2[nH]cc(CC(=O)[O-])c21	ZINC000077286139	188310682	/nfs/dbraw/zinc/31/06/82/188310682.db2.gz	ZSSNFXKPLODXQY-UHFFFAOYSA-N	-1	0	200.197	1.667	50	30	in-vitro	BDEARM
CC(=NNc1[nH]c(=O)nnc1C)c1ccccc1	ZINC000003947141	188332770	/nfs/dbraw/zinc/33/27/70/188332770.db2.gz	JENSSDPDCODLRG-RIYZIHGNSA-N	-1	0	243.270	1.309	50	30		BDEARM
CC(=NNc1[nH]c(=O)nnc1C)c1cccs1	ZINC000005646375	188333081	/nfs/dbraw/zinc/33/30/81/188333081.db2.gz	MMCUMHSDPKWXLU-WUXMJOGZSA-N	-1	0	249.299	1.371	50	30		BDEARM
N#Cc1c([O-])c2ccccc2c(O)c1C#N	ZINC000000155089	181073129	/nfs/dbraw/zinc/07/31/29/181073129.db2.gz	JJBQXTABLSZHGC-UHFFFAOYSA-N	-1	0	210.192	1.994	50	30		BDEARM
N#Cc1ccccc1N1CCC[C@@H]1C(=O)[O-]	ZINC000019735950	181146507	/nfs/dbraw/zinc/14/65/07/181146507.db2.gz	KTVDOGNHEOIIGF-LLVKDONJSA-N	-1	0	216.240	1.612	50	30		BDEARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc[nH]n1	ZINC000035074030	355771239	/nfs/dbraw/zinc/77/12/39/355771239.db2.gz	MQTDUWUYHTUVJA-BQBZGAKWSA-N	-1	0	236.231	1.060	50	30		BDEARM
C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000006662788	360556253	/nfs/dbraw/zinc/55/62/53/360556253.db2.gz	JSNFHFGFPPMAHB-LURJTMIESA-N	-1	0	235.199	1.351	50	30		BDEARM
O=C1C(=N[O-])Sc2nc3ccccc3n21	ZINC000252590688	363914133	/nfs/dbraw/zinc/91/41/33/363914133.db2.gz	AUSIEZHJGMQEMW-UHFFFAOYSA-N	-1	0	219.225	1.570	50	30		BDEARM
O=S1(=O)CCC(=N[O-])c2ccccc21	ZINC000252633173	364533570	/nfs/dbraw/zinc/53/35/70/364533570.db2.gz	WBAJTBLIYAEXCU-UHFFFAOYSA-N	-1	0	211.242	1.042	50	30		BDEARM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)[O-]	ZINC000004206410	372166181	/nfs/dbraw/zinc/16/61/81/372166181.db2.gz	VIJZLONZUHJCAO-UHFFFAOYSA-N	-1	0	216.196	1.949	50	30		BDEARM
Cc1n[n-]c(N/N=C/c2cccc(F)c2)nc1=O	ZINC000003901986	384033842	/nfs/dbraw/zinc/03/38/42/384033842.db2.gz	ISBGGTIHUJXRHM-AWNIVKPZSA-N	-1	0	247.233	1.058	50	30		BDEARM
CCCc1cc(=O)[nH]c(NN=C(C)C(=O)[O-])n1	ZINC000253534240	388610730	/nfs/dbraw/zinc/61/07/30/388610730.db2.gz	VBFZFBYNRPBPNN-UHFFFAOYSA-N	-1	0	238.247	1.007	50	30		BDEARM
N#Cc1ccc(N2CCC(C(=O)[O-])CC2)c(F)c1	ZINC000037412502	132344418	/nfs/dbraw/zinc/34/44/18/132344418.db2.gz	PRIBYGMQFDTLJJ-UHFFFAOYSA-N	-1	0	248.257	1.998	50	30		BDEARM
CCOc1ccc(/C(=N\[O-])C(C)=O)cc1	ZINC000011691705	170534222	/nfs/dbraw/zinc/53/42/22/170534222.db2.gz	JWMSSUBXLKFNHU-QXMHVHEDSA-N	-1	0	207.229	1.853	50	30		BDEARM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cscn1	ZINC000097107174	171357319	/nfs/dbraw/zinc/35/73/19/171357319.db2.gz	SQPCINJOTXPVTJ-LURJTMIESA-N	-1	0	248.329	1.576	50	30		BDEARM
COC1=CC(=O)/C(=N\[O-])c2ccccc21	ZINC000002527983	174012979	/nfs/dbraw/zinc/01/29/79/174012979.db2.gz	VZDSXOWJTHNRGS-QXMHVHEDSA-N	-1	0	203.197	1.435	50	30		BDEARM
COc1ccc(C(=O)/C=C/N(C)C)c([O-])c1	ZINC000026461571	175051751	/nfs/dbraw/zinc/05/17/51/175051751.db2.gz	GIWPLJABJPALKR-VOTSOKGWSA-N	-1	0	221.256	1.659	50	30		BDEARM
C[C@@H]1CCC[C@@H](C(=O)[O-])N1C(=O)CCS	ZINC000000235505	176113862	/nfs/dbraw/zinc/11/38/62/176113862.db2.gz	UHIOKYGCFGNNCU-SFYZADRCSA-N	-1	0	231.317	1.161	50	30	biogenic	BDEARM
C[C@]1(C#N)CCCN(Cc2c[nH]nc2C(=O)[O-])C1	ZINC000670452152	487504189	/nfs/dbraw/zinc/50/41/89/487504189.db2.gz	NBKGTTBCMMCFLS-GFCCVEGCSA-N	-1	0	248.286	1.234	50	30		BDEARM
O=C([O-])COc1ccc(C=NO)cc1Cl	ZINC000252320718	527617842	/nfs/dbraw/zinc/61/78/42/527617842.db2.gz	PRFCFWMEVHNNQN-UHFFFAOYSA-N	-1	0	229.619	1.612	50	30		BDEARM
CCON=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000254395156	642716786	/nfs/dbraw/zinc/71/67/86/642716786.db2.gz	APQSLBIQFRWWHY-UHFFFAOYSA-N	-1	0	210.189	1.671	50	30		BDEARM
CN(C)N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000254611696	642732639	/nfs/dbraw/zinc/73/26/39/642732639.db2.gz	FFXBEWGMIYXZCO-UHFFFAOYSA-N	-1	0	243.650	1.849	50	30		BDEARM
COc1ccc(C=CC(=O)CC(=O)C(=O)[O-])cc1	ZINC000005690728	980201699	/nfs/dbraw/zinc/20/16/99/980201699.db2.gz	CCBVIZCVWBKHIQ-NOPSOZLTSA-N	-1	0	248.234	1.804	50	30		BDEARM
Cc1ccc(CN=Nc2nnn[n-]2)s1	ZINC000006301919	178358757	/nfs/dbraw/zinc/35/87/57/178358757.db2.gz	UAFIRPJNQPUGKG-XBXARRHUSA-N	-1	0	208.250	1.016	50	30		BDEARM
N#CC(C#N)=N[N-]c1cc(-c2ccccc2)[nH]n1	ZINC000000165348	342678782	/nfs/dbraw/zinc/67/87/82/342678782.db2.gz	YXXSCMYJFFMRNM-UHFFFAOYSA-N	-1	0	236.238	1.892	50	30		BDEARM
Cc1cc(=O)[nH]c(NN=Cc2ccco2)n1	ZINC000008742073	342803998	/nfs/dbraw/zinc/80/39/98/342803998.db2.gz	YZMFOBBCRBZZMU-IZZDOVSWSA-N	-1	0	218.216	1.117	50	30		BDEARM
O=C([O-])[C@H]1C(=O)CC(=O)C[C@H]1c1ccccc1	ZINC000004812277	344275271	/nfs/dbraw/zinc/27/52/71/344275271.db2.gz	XYNPWEXGEXTCLB-CMPLNLGQSA-N	-1	0	232.235	1.886	50	30		BDEARM
N#Cc1ccc([O-])c(I)c1	ZINC000044154171	344481989	/nfs/dbraw/zinc/48/19/89/344481989.db2.gz	XAONDNGLTPLRKO-UHFFFAOYSA-N	-1	0	245.019	1.868	50	30		BDEARM
N#CC(C#N)=NNc1ccc(C(=O)[O-])cc1	ZINC000003163839	344541949	/nfs/dbraw/zinc/54/19/49/344541949.db2.gz	YIVFVVDFGWXSHG-UHFFFAOYSA-N	-1	0	214.184	1.200	50	30		BDEARM
O=C([O-])c1ccc(C=NN2CN=NC2=S)cc1	ZINC000005547901	346251703	/nfs/dbraw/zinc/25/17/03/346251703.db2.gz	VUSGKCMLPMCGPA-LFYBBSHMSA-N	-1	0	248.267	1.147	50	30		BDEARM
CCNC(N)=NC(=O)c1cc(Cl)ccc1[O-]	ZINC000006462981	346649292	/nfs/dbraw/zinc/64/92/92/346649292.db2.gz	KKJHPQQJQNKHHG-UHFFFAOYSA-N	-1	0	241.678	1.110	50	30		BDEARM
COP(=O)(C[C@H](CCC#N)CC(=O)[O-])OC	ZINC000005915154	346632816	/nfs/dbraw/zinc/63/28/16/346632816.db2.gz	HWSUEGNBBNSWBQ-MRVPVSSYSA-N	-1	0	249.203	1.867	50	30		BDEARM
CCOc1ccccc1CN=Nc1nnn[n-]1	ZINC000250528679	362808448	/nfs/dbraw/zinc/80/84/48/362808448.db2.gz	ZRSVBCANPMXANU-UHFFFAOYSA-N	-1	0	232.247	1.044	50	30		BDEARM
Cc1[n-]n2c(nc3c(c2=O)CCC3)c1C#N	ZINC000018028618	180394279	/nfs/dbraw/zinc/39/42/79/180394279.db2.gz	AAAVYDCQJLQGPF-UHFFFAOYSA-N	-1	0	214.228	1.104	50	30		BDEARM
C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002379432	187712351	/nfs/dbraw/zinc/71/23/51/187712351.db2.gz	BUPDPLXLAKNJMI-ZETCQYMHSA-N	-1	0	215.249	1.540	50	30		BDEARM
N#CCOc1ccc(/C=C/C(=O)[O-])cc1	ZINC000004206632	188276050	/nfs/dbraw/zinc/27/60/50/188276050.db2.gz	QQNDRZWCSPILDT-ZZXKWVIFSA-N	-1	0	203.197	1.687	50	30		BDEARM
CC(=O)Nc1c(=O)[nH]n2c1nc(C)cc2C	ZINC000005958127	188277931	/nfs/dbraw/zinc/27/79/31/188277931.db2.gz	PFDPVCWJLVBNGD-UHFFFAOYSA-N	-1	0	220.232	1.660	50	30		BDEARM
N#Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000016134180	181117666	/nfs/dbraw/zinc/11/76/66/181117666.db2.gz	RPHFOECPERWGCT-WAYWQWQTSA-N	-1	0	216.196	1.138	50	30		BDEARM
N#Cc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1	ZINC000002731823	181130667	/nfs/dbraw/zinc/13/06/67/181130667.db2.gz	YIALWNWWJOVCJG-VHSXEESVSA-N	-1	0	234.280	1.346	50	30		BDEARM
N#Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000019394886	181135935	/nfs/dbraw/zinc/13/59/35/181135935.db2.gz	JHIJYZGZWQRVRK-LLVKDONJSA-N	-1	0	244.250	1.247	50	30		BDEARM
N#Cc1cccc(NC(=O)/C=C/C(=O)[O-])c1	ZINC000000100174	181140294	/nfs/dbraw/zinc/14/02/94/181140294.db2.gz	RPDCJBAOYBEESZ-SNAWJCMRSA-N	-1	0	216.196	1.138	50	30		BDEARM
N#Cc1nc(-c2ccccc2)[n-]c(=O)c1C#N	ZINC000017111476	181166524	/nfs/dbraw/zinc/16/65/24/181166524.db2.gz	IUZKKBQIXSPYRJ-UHFFFAOYSA-N	-1	0	222.207	1.593	50	30		BDEARM
CC(C)(O)C#Cc1ccc(C(=O)[O-])s1	ZINC000004299336	355353564	/nfs/dbraw/zinc/35/35/64/355353564.db2.gz	KQYYVOWGEQQGGW-UHFFFAOYSA-N	-1	0	210.254	1.569	50	30		BDEARM
C=CCn1nc(C)c(-c2cc(C(=O)[O-])n[nH]2)c1C	ZINC000008741035	355729610	/nfs/dbraw/zinc/72/96/10/355729610.db2.gz	JJNHKUIWSKUXCK-UHFFFAOYSA-N	-1	0	246.270	1.774	50	30		BDEARM
C=CCc1ccc(OCC(=O)[O-])c(OC)c1	ZINC000000185753	355891437	/nfs/dbraw/zinc/89/14/37/355891437.db2.gz	FQBPCNCFOCPCJP-UHFFFAOYSA-N	-1	0	222.240	1.887	50	30	biogenic	BDEARM
C=C(C)CC1(CC)C(=O)NC(=S)NC1=O	ZINC000017819960	356475684	/nfs/dbraw/zinc/47/56/84/356475684.db2.gz	XMQICEWOKPEQRG-UHFFFAOYSA-N	-1	0	226.301	1.720	50	30		BDEARM
N#Cc1sccc1-c1cnc(C(=O)[O-])nc1	ZINC000675069476	538498111	/nfs/dbraw/zinc/49/81/11/538498111.db2.gz	HQHOCTDCDLRBRJ-UHFFFAOYSA-N	-1	0	231.236	1.775	50	30		BDEARM
COC(=O)C(C#N)=N[N-]c1ccccc1F	ZINC000252626825	364343878	/nfs/dbraw/zinc/34/38/78/364343878.db2.gz	RGEXUIGJJIGQSM-UHFFFAOYSA-N	-1	0	221.191	1.290	50	30		BDEARM
[O-]/N=C(/Cn1cccn1)c1ccccc1	ZINC000006337348	384150708	/nfs/dbraw/zinc/15/07/08/384150708.db2.gz	JCFGIQDGEVEYRN-QBFSEMIESA-N	-1	0	201.229	1.762	50	30		BDEARM
N#Cc1cc(F)ccc1N1CCC(C(=O)[O-])CC1	ZINC000111025674	384794109	/nfs/dbraw/zinc/79/41/09/384794109.db2.gz	NXGXXQTYLAETER-UHFFFAOYSA-N	-1	0	248.257	1.998	50	30		BDEARM
C=CCCC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000061609003	384802329	/nfs/dbraw/zinc/80/23/29/384802329.db2.gz	KKHYSZFOAHJKAC-LBPRGKRZSA-N	-1	0	247.294	1.937	50	30		BDEARM
C=CCc1c(C)nc2c(C(=O)[O-])cnn2c1C	ZINC000000259480	386605453	/nfs/dbraw/zinc/60/54/53/386605453.db2.gz	XUPKASLYLOXEFB-UHFFFAOYSA-N	-1	0	231.255	1.773	50	30		BDEARM
O=C(C=N[O-])Nc1ccc(F)cc1F	ZINC000254850769	388378416	/nfs/dbraw/zinc/37/84/16/388378416.db2.gz	DIAMOYGBZASPQT-UHFFFAOYSA-N	-1	0	200.144	1.363	50	30		BDEARM
C=CC[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000010214549	388444237	/nfs/dbraw/zinc/44/42/37/388444237.db2.gz	IUZIHNZWLZEQEQ-UHFFFAOYSA-N	-1	0	233.239	1.429	50	30		BDEARM
CC1(C)Cc2[n-]c(=O)c(C#N)cc2CO1	ZINC000000226334	388611246	/nfs/dbraw/zinc/61/12/46/388611246.db2.gz	WIOGEJFYWIFDCQ-UHFFFAOYSA-N	-1	0	204.229	1.098	50	30		BDEARM
Cc1nc(N2CCCCC2)c(C#N)c(=O)[n-]1	ZINC000057352275	132365688	/nfs/dbraw/zinc/36/56/88/132365688.db2.gz	UJCYGXORLKQNRS-UHFFFAOYSA-N	-1	0	218.260	1.353	50	30		BDEARM
Cc1nc(/C(N)=N/[O-])c(C(F)(F)F)o1	ZINC000004382911	397924310	/nfs/dbraw/zinc/92/43/10/397924310.db2.gz	ATONOJGJQKELAH-UHFFFAOYSA-N	-1	0	209.127	1.096	50	30		BDEARM
N#CCCn1[n-]c(C(F)(F)F)cc1=O	ZINC000100617175	410291366	/nfs/dbraw/zinc/29/13/66/410291366.db2.gz	QXWWEEBBAXGFDH-UHFFFAOYSA-N	-1	0	205.139	1.521	50	30		BDEARM
C=CCNC(=O)c1c(O)[n-]c2ccccc2c1=O	ZINC000009042696	166391907	/nfs/dbraw/zinc/39/19/07/166391907.db2.gz	SBZLTQMYRFIERR-UHFFFAOYSA-N	-1	0	244.250	1.150	50	30		BDEARM
CCOC(=O)C([O-])=C(C#N)c1nc(C)cs1	ZINC000004926618	170183811	/nfs/dbraw/zinc/18/38/11/170183811.db2.gz	CQPQAHDNUJAXSP-SSDOTTSWSA-N	-1	0	238.268	1.191	50	30		BDEARM
CN(C)/C=C1\Oc2cc(O)ccc2C1=O	ZINC000226848656	172350895	/nfs/dbraw/zinc/35/08/95/172350895.db2.gz	CFVHCQSRXXCZPD-POHAHGRESA-N	-1	0	205.213	1.370	50	30		BDEARM
COc1ccc(C(=O)/C=C/C(=O)[O-])cc1	ZINC000000129051	175051799	/nfs/dbraw/zinc/05/17/99/175051799.db2.gz	WORYXBDHTBWLLL-VOTSOKGWSA-N	-1	0	206.197	1.519	50	30		BDEARM
Cc1[n-]c(=O)c(C#N)c2c1COC(C)(C)C2	ZINC000013555535	177505270	/nfs/dbraw/zinc/50/52/70/177505270.db2.gz	WQRQZMQBLXFWRN-UHFFFAOYSA-N	-1	0	218.256	1.406	50	30		BDEARM
Cc1[n-]oc(=O)c1N=Nc1ccccc1	ZINC000252638439	520901179	/nfs/dbraw/zinc/90/11/79/520901179.db2.gz	YCNZYEMBPKHYRV-UHFFFAOYSA-N	-1	0	203.201	1.387	50	30		BDEARM
Cc1cc([O-])c(/C=N/c2ccccn2)c(=O)o1	ZINC000003241741	178193384	/nfs/dbraw/zinc/19/33/84/178193384.db2.gz	QOTRSSNFSSWZCT-VGOFMYFVSA-N	-1	0	230.223	1.799	50	30		BDEARM
Cc1cc(C(=O)[O-])nn1-c1cccc(C#N)c1	ZINC000048042382	342771613	/nfs/dbraw/zinc/77/16/13/342771613.db2.gz	RZIKVFGCJNRAHX-UHFFFAOYSA-N	-1	0	227.223	1.751	50	30		BDEARM
O=[N+]([O-])c1ccc(/C(Cl)=N/[O-])cc1	ZINC000004716330	342751032	/nfs/dbraw/zinc/75/10/32/342751032.db2.gz	PIQHICJFBSZFMS-CLFYSBASSA-N	-1	0	200.581	1.969	50	30		BDEARM
O=C1N=C(CS)N=C([O-])C1c1ccccc1	ZINC000008691831	342802083	/nfs/dbraw/zinc/80/20/83/342802083.db2.gz	UDUMXMPBCMPSPN-UHFFFAOYSA-N	-1	0	234.280	1.572	50	30		BDEARM
C#CCOc1ccc(C(=O)[O-])cc1OC	ZINC000009237123	342810778	/nfs/dbraw/zinc/81/07/78/342810778.db2.gz	JQBULVBEPSHSEW-UHFFFAOYSA-N	-1	0	206.197	1.405	50	30		BDEARM
Cc1cc(=O)[n-]c(N=NC[C@@H]2CC=CCC2)n1	ZINC000012496185	342852637	/nfs/dbraw/zinc/85/26/37/342852637.db2.gz	OSVTXCNZJBPEOQ-SEEODLKFSA-N	-1	0	232.287	1.832	50	30		BDEARM
N#CCCN(C(=O)CCC(=O)[O-])c1ccccc1	ZINC000016902333	342916985	/nfs/dbraw/zinc/91/69/85/342916985.db2.gz	KSYBBYZYJNDEEO-UHFFFAOYSA-N	-1	0	246.266	1.798	50	30		BDEARM
COC(=O)CSc1[n-]c(=O)cc(C)c1C#N	ZINC000004786249	344233124	/nfs/dbraw/zinc/23/31/24/344233124.db2.gz	HJFNKRXIIJQZII-UHFFFAOYSA-N	-1	0	238.268	1.232	50	30		BDEARM
Cc1n[nH]cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000075093114	345840560	/nfs/dbraw/zinc/84/05/60/345840560.db2.gz	BJWVDWSVEUOPIG-UHFFFAOYSA-N	-1	0	242.238	1.548	50	30		BDEARM
Cc1cccc(C)c1N/C(=N/[O-])c1nonc1N	ZINC000003970597	179039991	/nfs/dbraw/zinc/03/99/91/179039991.db2.gz	IZSWJWUMNMHCLW-UHFFFAOYSA-N	-1	0	247.258	1.517	50	30		BDEARM
CCCCCn1c([O-])cc(C)c(C#N)c1=O	ZINC000016752895	362922330	/nfs/dbraw/zinc/92/23/30/362922330.db2.gz	LYMJCGZWRPGHKQ-UHFFFAOYSA-N	-1	0	220.272	1.924	50	30		BDEARM
Cc1[nH]nc(N=NCc2ccccc2)c1C(=O)[O-]	ZINC000004301395	179836558	/nfs/dbraw/zinc/83/65/58/179836558.db2.gz	RRBIVIYTKPJENJ-NTUHNPAUSA-N	-1	0	244.254	1.862	50	30		BDEARM
C=C(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002560846	191109538	/nfs/dbraw/zinc/10/95/38/191109538.db2.gz	YHWOMLAFEJVSSA-QMMMGPOBSA-N	-1	0	229.276	1.931	50	30		BDEARM
C=CCN(CC=C)N(CC=C)CCC(=O)[O-]	ZINC000019168545	166336920	/nfs/dbraw/zinc/33/69/20/166336920.db2.gz	VYABUWHDRFLCCN-UHFFFAOYSA-N	-1	0	224.304	1.538	50	30		BDEARM
CC(C)(O)C#Cc1cccc(C(=O)[O-])c1	ZINC000019088315	188232198	/nfs/dbraw/zinc/23/21/98/188232198.db2.gz	VKXLALQKRXWOJK-UHFFFAOYSA-N	-1	0	204.225	1.507	50	30		BDEARM
CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)[O-]	ZINC000012954414	188279747	/nfs/dbraw/zinc/27/97/47/188279747.db2.gz	OUZNVOXZHXJSLE-QMMMGPOBSA-N	-1	0	235.239	1.809	50	30		BDEARM
N#CCc1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000006733016	181050016	/nfs/dbraw/zinc/05/00/16/181050016.db2.gz	UUWHXJZVRKKUGS-UHFFFAOYSA-N	-1	0	201.185	1.327	50	30		BDEARM
N#Cc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000062117446	181136063	/nfs/dbraw/zinc/13/60/63/181136063.db2.gz	QYFTYPSWBWMUPY-LLVKDONJSA-N	-1	0	244.250	1.105	50	30		BDEARM
N#Cc1ccsc1NC(=O)CCCC(=O)[O-]	ZINC000006537075	181160508	/nfs/dbraw/zinc/16/05/08/181160508.db2.gz	ODEGCRDVVCVDRD-UHFFFAOYSA-N	-1	0	238.268	1.813	50	30		BDEARM
N#Cc1csc(C=Cc2nccc(=O)[nH]2)c1	ZINC000098052960	181165526	/nfs/dbraw/zinc/16/55/26/181165526.db2.gz	ZYMXHPDHUUVAJU-UPHRSURJSA-N	-1	0	229.264	1.873	50	30		BDEARM
CCOC(=O)N=S(=O)([O-])Cc1ccccc1	ZINC000075261201	356925782	/nfs/dbraw/zinc/92/57/82/356925782.db2.gz	BDRAKWHEOPAVJL-UHFFFAOYSA-N	-1	0	243.284	1.467	50	30		BDEARM
Cc1ccsc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000006210905	357188831	/nfs/dbraw/zinc/18/88/31/357188831.db2.gz	UFWNZUOXPDKLFX-VZUCSPMQSA-N	-1	0	249.299	1.289	50	30		BDEARM
CN(CC(=O)[O-])c1ccc(C#N)cc1F	ZINC000036886390	361576423	/nfs/dbraw/zinc/57/64/23/361576423.db2.gz	PJNIENBCAVENBG-UHFFFAOYSA-N	-1	0	208.192	1.218	50	30		BDEARM
O=C([O-])c1ccccc1CC(=O)Nc1nc[nH]n1	ZINC000071288856	182581751	/nfs/dbraw/zinc/58/17/51/182581751.db2.gz	UUWFWWMBFKAANV-UHFFFAOYSA-N	-1	0	246.226	1.334	50	30		BDEARM
CCCS(=O)(=O)[N-]C(=O)c1ccc(CC)o1	ZINC000078868924	169328873	/nfs/dbraw/zinc/32/88/73/169328873.db2.gz	NDCOHVOLVQLMPP-UHFFFAOYSA-N	-1	0	245.300	1.886	50	30		BDEARM
CCCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000017058363	169567463	/nfs/dbraw/zinc/56/74/63/169567463.db2.gz	VNFUXZITYMTPDU-UHFFFAOYSA-N	-1	0	202.217	1.259	50	30		BDEARM
Cc1n[nH]c(=S)n1N=Cc1ccc(O)cc1	ZINC000002392059	383961736	/nfs/dbraw/zinc/96/17/36/383961736.db2.gz	XBAFWQQHWOBJCQ-IZZDOVSWSA-N	-1	0	234.284	1.837	50	30		BDEARM
O=C([O-])CCC/C(=N\O)c1cccnc1	ZINC000004114407	384042990	/nfs/dbraw/zinc/04/29/90/384042990.db2.gz	KESQLQXBOASSJB-FMIVXFBMSA-N	-1	0	208.217	1.515	50	30		BDEARM
O=S1(=O)CC/C(=N\[O-])c2ccccc21	ZINC000100241493	384625441	/nfs/dbraw/zinc/62/54/41/384625441.db2.gz	WBAJTBLIYAEXCU-CSKARUKUSA-N	-1	0	211.242	1.042	50	30		BDEARM
COc1cc(OC)c2[n-]cc(C#N)c(=O)c2c1	ZINC000100464090	384706819	/nfs/dbraw/zinc/70/68/19/384706819.db2.gz	OBTACCPRZUTOOC-UHFFFAOYSA-N	-1	0	230.223	1.829	50	30		BDEARM
C=CCn1c(=O)c(C(=O)[O-])c(O)c2ccccc21	ZINC000150042565	385539042	/nfs/dbraw/zinc/53/90/42/385539042.db2.gz	UJOSXGMYVRUSFZ-UHFFFAOYSA-N	-1	0	245.234	1.591	50	30		BDEARM
C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002379460	386669878	/nfs/dbraw/zinc/66/98/78/386669878.db2.gz	BUPDPLXLAKNJMI-SSDOTTSWSA-N	-1	0	215.249	1.540	50	30		BDEARM
C=CCN1c2ccc(C)cc2/C(=N/[O-])C1=O	ZINC000101252251	166351026	/nfs/dbraw/zinc/35/10/26/166351026.db2.gz	QTIZOMOMTHOHFT-QBFSEMIESA-N	-1	0	216.240	1.706	50	30		BDEARM
C=CCNC(=O)C[C@H](CC(=O)[O-])c1ccccc1	ZINC000057536209	166373827	/nfs/dbraw/zinc/37/38/27/166373827.db2.gz	OQWILQYKFRZSRY-GFCCVEGCSA-N	-1	0	247.294	1.937	50	30		BDEARM
C=CCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC000086003083	166392012	/nfs/dbraw/zinc/39/20/12/166392012.db2.gz	HAMXQRSEDGZKRF-XFWSIPNHSA-N	-1	0	223.272	1.036	50	30		BDEARM
COC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000000258173	173763053	/nfs/dbraw/zinc/76/30/53/173763053.db2.gz	SBKXSFJHCGQDMW-SNVBAGLBSA-N	-1	0	233.223	1.191	50	30		BDEARM
COc1ccc(C(=O)/C(C)=N/[O-])cc1OC	ZINC000096024106	175051831	/nfs/dbraw/zinc/05/18/31/175051831.db2.gz	XWEFRSPTSHWIFV-KPKJPENVSA-N	-1	0	223.228	1.737	50	30		BDEARM
COc1ccccc1-c1ccc(C#N)c(=O)[n-]1	ZINC000038478112	175309108	/nfs/dbraw/zinc/30/91/08/175309108.db2.gz	BUSZQHDWBAPALC-UHFFFAOYSA-N	-1	0	226.235	1.922	50	30		BDEARM
C[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000000349801	176001796	/nfs/dbraw/zinc/00/17/96/176001796.db2.gz	RIQFULUXUCSLCO-PKTIUJEHSA-N	-1	0	238.199	1.418	50	30		BDEARM
C[C@@H](Oc1cccnc1)c1ccc(C#N)c(=O)[n-]1	ZINC000008782260	176006605	/nfs/dbraw/zinc/00/66/05/176006605.db2.gz	OOBFYYJQXHFEEK-SECBINFHSA-N	-1	0	241.250	1.782	50	30		BDEARM
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)[O-]	ZINC000012647758	177510479	/nfs/dbraw/zinc/51/04/79/177510479.db2.gz	PCXWGSGFUMSJBP-UHFFFAOYSA-N	-1	0	214.224	1.975	50	30		BDEARM
N#Cc1nccnc1-c1cccc(C(=O)[O-])c1	ZINC000534648642	323158351	/nfs/dbraw/zinc/15/83/51/323158351.db2.gz	MTVHBGLTKONZIK-UHFFFAOYSA-N	-1	0	225.207	1.713	50	30		BDEARM
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[O-]	ZINC000116639296	518836205	/nfs/dbraw/zinc/83/62/05/518836205.db2.gz	DAKRJQCYDKDOLN-QMMMGPOBSA-N	-1	0	242.275	1.658	50	30		BDEARM
O=C(N=c1cccc[nH]1)c1ncccc1[O-]	ZINC000103492975	592582870	/nfs/dbraw/zinc/58/28/70/592582870.db2.gz	VLXSBDIZYCORGD-ZHACJKMWSA-N	-1	0	215.212	1.430	50	30		BDEARM
C#Cc1cccc(NC(=O)CC(=O)[O-])c1	ZINC000050916235	642370010	/nfs/dbraw/zinc/37/00/10/642370010.db2.gz	BNULHEBXFQGNKP-UHFFFAOYSA-N	-1	0	203.197	1.081	50	30		BDEARM
Cc1cccc(/C=N/Nc2nc(=O)c(C)n[n-]2)c1	ZINC000015987478	259306683	/nfs/dbraw/zinc/30/66/83/259306683.db2.gz	LWBWIOQAPJPBHT-NTUHNPAUSA-N	-1	0	243.270	1.228	50	30		BDEARM
CCOc1ccc(C(=O)/C=C/C(=O)[O-])cc1	ZINC000000129057	342676144	/nfs/dbraw/zinc/67/61/44/342676144.db2.gz	WKIKNOMECIZQHQ-BQYQJAHWSA-N	-1	0	220.224	1.909	50	30		BDEARM
O=C1N/C(=N\O)S/C1=C/c1ccc(O)cc1	ZINC000005649466	342767774	/nfs/dbraw/zinc/76/77/74/342767774.db2.gz	SIQZQVLTAAORSK-VMPITWQZSA-N	-1	0	236.252	1.341	50	30		BDEARM
[O-]c1c(Cl)cccc1C=Nc1nc[nH]n1	ZINC000005995957	342772434	/nfs/dbraw/zinc/77/24/34/342772434.db2.gz	RWLXNNTVECUSHB-NYYWCZLTSA-N	-1	0	222.635	1.914	50	30		BDEARM
CC#CCS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000051664178	539011488	/nfs/dbraw/zinc/01/14/88/539011488.db2.gz	CLWNXZCHZUEJJF-UHFFFAOYSA-N	-1	0	238.264	1.182	50	30		BDEARM
CNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000087780438	398305750	/nfs/dbraw/zinc/30/57/50/398305750.db2.gz	YJBCWDYXQHNIKJ-UHFFFAOYSA-N	-1	0	230.676	1.120	50	30		BDEARM
C#CCN[C@H](C(=O)[O-])c1c(C)cc(C)cc1C	ZINC000051963485	166192131	/nfs/dbraw/zinc/19/21/31/166192131.db2.gz	IJQUDRXSRWPJAI-ZDUSSCGKSA-N	-1	0	231.295	1.960	50	30	biogenic	BDEARM
O=c1[nH]c2ccccc2c(Cl)c1/C=N/[O-]	ZINC000000269836	537818920	/nfs/dbraw/zinc/81/89/20/537818920.db2.gz	RTDXTWHWOVAHGY-LFYBBSHMSA-N	-1	0	222.631	1.990	50	30		BDEARM
COc1cc(C#N)ccc1OCC(=O)[O-]	ZINC000005526671	346247157	/nfs/dbraw/zinc/24/71/57/346247157.db2.gz	GNPBJHOKFMAJDI-UHFFFAOYSA-N	-1	0	207.185	1.030	50	30		BDEARM
Cc1n[n-]c(N=NC[C@@H]2CC=CCC2)nc1=O	ZINC000015923639	179835920	/nfs/dbraw/zinc/83/59/20/179835920.db2.gz	ZVMYQFHBMMKIBH-SZJBZFAYSA-N	-1	0	233.275	1.227	50	30		BDEARM
N#Cc1c2c(n[n-]c1=O)C(=O)c1ccccc1-2	ZINC000000128539	191108455	/nfs/dbraw/zinc/10/84/55/191108455.db2.gz	WCHMDHWVBQULEJ-UHFFFAOYSA-N	-1	0	223.191	1.265	50	30		BDEARM
COc1cc(C=C(C(C)=O)C(C)=O)ccc1O	ZINC000001387051	353333776	/nfs/dbraw/zinc/33/37/76/353333776.db2.gz	XMAWAPAJKQHUHU-UHFFFAOYSA-N	-1	0	234.251	1.962	50	30		BDEARM
N#Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000002890469	181087117	/nfs/dbraw/zinc/08/71/17/181087117.db2.gz	ZEAWLJJAXSSAKV-UHFFFAOYSA-N	-1	0	211.604	1.675	50	30		BDEARM
N#Cc1ccc(N2CCC[C@H]2C(=O)[O-])cc1	ZINC000019867206	181115060	/nfs/dbraw/zinc/11/50/60/181115060.db2.gz	QXPDICRRGHNHKO-NSHDSACASA-N	-1	0	216.240	1.612	50	30		BDEARM
N#Cc1cccc(NC(=O)CCC(=O)[O-])c1	ZINC000000142990	181139992	/nfs/dbraw/zinc/13/99/92/181139992.db2.gz	HPTIFFLVYOBDQB-UHFFFAOYSA-N	-1	0	218.212	1.362	50	30		BDEARM
NC(=N/O)/C(=N/[O-])c1nc2ccccc2s1	ZINC000006283601	181211492	/nfs/dbraw/zinc/21/14/92/181211492.db2.gz	HIHRLZSGAOJULV-GHXNOFRVSA-N	-1	0	236.256	1.221	50	30		BDEARM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000013352533	355852015	/nfs/dbraw/zinc/85/20/15/355852015.db2.gz	WMEYSZDBMIOXDV-MRVPVSSYSA-N	-1	0	227.260	1.378	50	30		BDEARM
[O-]N=C1C[C@](O)(C(F)(F)F)Oc2ccccc21	ZINC000252630088	364389691	/nfs/dbraw/zinc/38/96/91/364389691.db2.gz	UUGOBBSNVJGXCI-SECBINFHSA-N	-1	0	247.172	1.898	50	30		BDEARM
O=C(/C=N\[O-])Nc1ccccc1Br	ZINC000100468017	181851556	/nfs/dbraw/zinc/85/15/56/181851556.db2.gz	KRUQMJREXXFSBT-YHYXMXQVSA-N	-1	0	243.060	1.848	50	30		BDEARM
CCCNC(=O)N=S(=O)([O-])c1ccccc1	ZINC000029056855	169183306	/nfs/dbraw/zinc/18/33/06/169183306.db2.gz	XDUXYYDDHASTLI-UHFFFAOYSA-N	-1	0	242.300	1.289	50	30		BDEARM
O=C(/C=N/[O-])Nc1cccc(Br)c1	ZINC000000097015	383826753	/nfs/dbraw/zinc/82/67/53/383826753.db2.gz	ORVVNXAFZBVFMP-BJMVGYQFSA-N	-1	0	243.060	1.848	50	30		BDEARM
CC(=O)Nc1ccc(NC(=O)/C=N/[O-])cc1	ZINC000000262257	383848736	/nfs/dbraw/zinc/84/87/36/383848736.db2.gz	UWGIQYMFZUSNKO-IZZDOVSWSA-N	-1	0	221.216	1.044	50	30		BDEARM
C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002389696	383962047	/nfs/dbraw/zinc/96/20/47/383962047.db2.gz	FVBZCQLQINXRAC-NSHDSACASA-N	-1	0	249.266	1.595	50	30		BDEARM
CCOCc1cc(CC)[n-]c(=O)c1C#N	ZINC000008672882	384206789	/nfs/dbraw/zinc/20/67/89/384206789.db2.gz	NBNZJGSYYCBLQP-UHFFFAOYSA-N	-1	0	206.245	1.345	50	30		BDEARM
C/N=C(\C)c1c([O-])c2ccccc2oc1=O	ZINC000100312054	384262886	/nfs/dbraw/zinc/26/28/86/384262886.db2.gz	DFTZIWPBHSMDBV-NTUHNPAUSA-N	-1	0	217.224	1.937	50	30	biogenic	BDEARM
CC(=O)/C(=N/[O-])C(=O)Nc1ccccc1	ZINC000017744659	384491236	/nfs/dbraw/zinc/49/12/36/384491236.db2.gz	UWYXIAWYMDVVGK-XFXZXTDPSA-N	-1	0	206.201	1.044	50	30		BDEARM
[O-]/N=C/c1ccc(I)o1	ZINC000028293075	384943763	/nfs/dbraw/zinc/94/37/63/384943763.db2.gz	QNVJIYRXICPKAZ-XVNBXDOJSA-N	-1	0	236.996	1.692	50	30		BDEARM
Cc1ccc(NC(=O)/C(C#N)=N/[O-])cc1	ZINC000001410206	386374396	/nfs/dbraw/zinc/37/43/96/386374396.db2.gz	TUUSDSUFAQPEOW-UKTHLTGXSA-N	-1	0	203.201	1.287	50	30		BDEARM
Cc1cc(C)c(C#N)c(SCC(=O)[O-])n1	ZINC000001792381	387787761	/nfs/dbraw/zinc/78/77/61/387787761.db2.gz	PPAQOKSJTBXIOC-UHFFFAOYSA-N	-1	0	222.269	1.747	50	30		BDEARM
C/C(=N/Nc1nc(=O)c(C)n[n-]1)c1ccccc1	ZINC000016719259	388356961	/nfs/dbraw/zinc/35/69/61/388356961.db2.gz	GDHSILRQLDZEFD-ZSOIEALJSA-N	-1	0	243.270	1.309	50	30		BDEARM
CC[C@]1(C)Cc2[n-]c(=O)c(C#N)cc2CO1	ZINC000003984591	388390043	/nfs/dbraw/zinc/39/00/43/388390043.db2.gz	QJJKDPQXRFSKRT-GFCCVEGCSA-N	-1	0	218.256	1.488	50	30	biogenic	BDEARM
N#Cc1c[n-]c2c(F)c(F)c(F)cc2c1=O	ZINC000019519113	388741818	/nfs/dbraw/zinc/74/18/18/388741818.db2.gz	QERDUNPZZRICRK-UHFFFAOYSA-N	-1	0	224.141	1.817	50	30		BDEARM
Cc1[nH][nH]c(=O)c1-c1cc(C#N)c(C#N)cc1[O-]	ZINC000096336845	388816644	/nfs/dbraw/zinc/81/66/44/388816644.db2.gz	GERVTQRCRYPTEO-UHFFFAOYSA-N	-1	0	240.222	1.540	50	30		BDEARM
N#Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000012954432	132321550	/nfs/dbraw/zinc/32/15/50/132321550.db2.gz	SFCZUCPTDYRUIK-LLVKDONJSA-N	-1	0	230.267	1.859	50	30		BDEARM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCOC2)c1	ZINC000096450053	398079352	/nfs/dbraw/zinc/07/93/52/398079352.db2.gz	KQVRAJQRMZLTQW-SNVBAGLBSA-N	-1	0	246.266	1.629	50	30		BDEARM
C=CCN1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O	ZINC000017027755	166350805	/nfs/dbraw/zinc/35/08/05/166350805.db2.gz	XATVXBOTVPGJPS-VQHVLOKHSA-N	-1	0	246.222	1.768	50	30		BDEARM
C=CCN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000000185861	166362099	/nfs/dbraw/zinc/36/20/99/166362099.db2.gz	WHGFCGQHYATRGY-UHFFFAOYSA-N	-1	0	203.241	1.886	50	30	biogenic	BDEARM
N#C/C(=N/[O-])C(=O)Nc1ccc(Cl)cc1	ZINC000101390789	410769573	/nfs/dbraw/zinc/76/95/73/410769573.db2.gz	FXQJMCJDVKJNBP-JYRVWZFOSA-N	-1	0	223.619	1.632	50	30		BDEARM
Cc1occc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000103504773	410901410	/nfs/dbraw/zinc/90/14/10/410901410.db2.gz	AZLUUGGOPFNNPC-SNVBAGLBSA-N	-1	0	232.239	1.189	50	30		BDEARM
CCOC(=O)C1=C([O-])c2ccccc2C1=O	ZINC000100477408	170191426	/nfs/dbraw/zinc/19/14/26/170191426.db2.gz	LYWLBOMXHHNZHD-UHFFFAOYSA-N	-1	0	218.208	1.715	50	30		BDEARM
COc1ccc(C#CC(=O)[O-])cc1OC	ZINC000000393020	175051179	/nfs/dbraw/zinc/05/11/79/175051179.db2.gz	NFYMTYGXJXAZEG-UHFFFAOYSA-N	-1	0	206.197	1.140	50	30		BDEARM
COc1ccc(C(=O)/C=C\C(=O)[O-])cc1OC	ZINC000095727045	175052824	/nfs/dbraw/zinc/05/28/24/175052824.db2.gz	QUWWWXPLUJFEHM-XQRVVYSFSA-N	-1	0	236.223	1.527	50	30		BDEARM
COc1ccccc1CC(=O)/C(=N/[O-])C(C)=O	ZINC000067172611	175320759	/nfs/dbraw/zinc/32/07/59/175320759.db2.gz	AECXDJJMRKTOBE-OUKQBFOZSA-N	-1	0	235.239	1.226	50	30		BDEARM
C[C@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000170647513	176555338	/nfs/dbraw/zinc/55/53/38/176555338.db2.gz	RESYFQBOPVGYFU-ZCFIWIBFSA-N	-1	0	247.279	1.758	50	30		BDEARM
C=C(Cl)CSc1n[n-]c(=N)n1C1CC1	ZINC000330031791	534450088	/nfs/dbraw/zinc/45/00/88/534450088.db2.gz	DJIINPHTCTWDCJ-UHFFFAOYSA-N	-1	0	230.724	1.870	50	30		BDEARM
C#CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000001017416	527177036	/nfs/dbraw/zinc/17/70/36/527177036.db2.gz	VOVAWZREBIPYIJ-UHFFFAOYSA-N	-1	0	216.265	1.692	50	30		BDEARM
C#CC[C@H](NC(=O)Cc1ccccc1C)C(=O)[O-]	ZINC000149833429	583799303	/nfs/dbraw/zinc/79/93/03/583799303.db2.gz	XCVKIPLQMGAEPZ-LBPRGKRZSA-N	-1	0	245.278	1.130	50	30		BDEARM
CN(C)N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000002678833	585029346	/nfs/dbraw/zinc/02/93/46/585029346.db2.gz	AQJFDRVAPPBQNG-UHFFFAOYSA-N	-1	0	209.205	1.196	50	30		BDEARM
Cc1ccc([N+](=O)[O-])c(/C=N\[O-])c1[N+](=O)[O-]	ZINC000004764975	342751786	/nfs/dbraw/zinc/75/17/86/342751786.db2.gz	IKNYXGVSIZONGY-WTKPLQERSA-N	-1	0	225.160	1.620	50	30		BDEARM
Cc1cc(=O)[nH]c(NN=Cc2ccc(O)cc2)n1	ZINC000007891455	342794699	/nfs/dbraw/zinc/79/46/99/342794699.db2.gz	PRYXVASMZNISMM-NTUHNPAUSA-N	-1	0	244.254	1.230	50	30		BDEARM
C#CC[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000002385798	166206750	/nfs/dbraw/zinc/20/67/50/166206750.db2.gz	QZRLAJLEZVWLOV-MRVPVSSYSA-N	-1	0	227.260	1.378	50	30		BDEARM
COc1ccccc1C(=O)C=C(O)C(=O)[O-]	ZINC000006740863	350215466	/nfs/dbraw/zinc/21/54/66/350215466.db2.gz	YMOBGUUTEROXGI-VURMDHGXSA-N	-1	0	222.196	1.248	50	30		BDEARM
C=CC[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000065356669	187873389	/nfs/dbraw/zinc/87/33/89/187873389.db2.gz	KEMMBAWJCLAWOK-MRVPVSSYSA-N	-1	0	229.276	1.788	50	30		BDEARM
N#CCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000012650278	181034278	/nfs/dbraw/zinc/03/42/78/181034278.db2.gz	QLYKGCCGCAFDRL-UHFFFAOYSA-N	-1	0	221.172	1.153	50	30		BDEARM
N#Cc1cc(Br)cc(O)c1C(=O)[O-]	ZINC000263624290	181081990	/nfs/dbraw/zinc/08/19/90/181081990.db2.gz	PAEZNOXICDWRSO-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1cc(Cl)c2nc(C(=O)[O-])cn2c1	ZINC000043827741	181086188	/nfs/dbraw/zinc/08/61/88/181086188.db2.gz	RUNYNDILXYZJNR-UHFFFAOYSA-N	-1	0	221.603	1.558	50	30		BDEARM
N#Cc1ccc(-c2cc(C(=O)[O-])no2)cc1	ZINC000090567227	181093910	/nfs/dbraw/zinc/09/39/10/181093910.db2.gz	PDHRXDLHPHLFEX-UHFFFAOYSA-N	-1	0	214.180	1.911	50	30		BDEARM
N#Cc1ccc(NC(=O)C(=O)[O-])cc1Cl	ZINC000020204755	181117578	/nfs/dbraw/zinc/11/75/78/181117578.db2.gz	KRCZWNYFBSUMLZ-UHFFFAOYSA-N	-1	0	224.603	1.235	50	30		BDEARM
N#Cc1ccccc1-c1cnc(C(=O)[O-])nc1	ZINC000675069283	538498295	/nfs/dbraw/zinc/49/82/95/538498295.db2.gz	FDJJUZKSKLVQLX-UHFFFAOYSA-N	-1	0	225.207	1.713	50	30		BDEARM
O=C([O-])CCCC(=NO)c1cccnc1	ZINC000252616749	364084966	/nfs/dbraw/zinc/08/49/66/364084966.db2.gz	KESQLQXBOASSJB-UHFFFAOYSA-N	-1	0	208.217	1.515	50	30		BDEARM
COc1ccc(N2N=C(C)C(=N[O-])C2=O)cc1	ZINC000252638005	364670738	/nfs/dbraw/zinc/67/07/38/364670738.db2.gz	XYKRICTWNWOLIA-UHFFFAOYSA-N	-1	0	233.227	1.248	50	30		BDEARM
C=C(C)CN(C)C(=O)c1ccc(C(=O)[O-])nc1	ZINC000165909482	203385823	/nfs/dbraw/zinc/38/58/23/203385823.db2.gz	PSUZNAMHYYWQOP-UHFFFAOYSA-N	-1	0	234.255	1.428	50	30		BDEARM
CCCSc1nc(CC)c(C#N)c(=O)[n-]1	ZINC000005238859	169342370	/nfs/dbraw/zinc/34/23/70/169342370.db2.gz	SDKPXJAIZSTBHL-UHFFFAOYSA-N	-1	0	223.301	1.706	50	30		BDEARM
O=C(C/C(=N\[O-])c1ccccc1O)C(F)F	ZINC000013127837	384350613	/nfs/dbraw/zinc/35/06/13/384350613.db2.gz	HKBQJNJGDFTBPH-NTUHNPAUSA-N	-1	0	229.182	1.795	50	30		BDEARM
N#CCCOc1ccc([O-])c([N+](=O)[O-])c1	ZINC000015108572	384421923	/nfs/dbraw/zinc/42/19/23/384421923.db2.gz	JRKINWNJNKJUCY-UHFFFAOYSA-N	-1	0	208.173	1.593	50	30		BDEARM
CC(=N\O)/C(=N\[O-])[C@H]1[C@@H](CC#N)C1(C)C	ZINC000005165051	384503541	/nfs/dbraw/zinc/50/35/41/384503541.db2.gz	DQRZSLPEMXSNEW-BIOVKKSQSA-N	-1	0	209.249	1.853	50	30		BDEARM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(C)cc1C	ZINC000100045332	384613066	/nfs/dbraw/zinc/61/30/66/384613066.db2.gz	UUPJRAGGAYKNCR-UHFFFAOYSA-N	-1	0	230.271	1.577	50	30		BDEARM
C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000082067835	384644998	/nfs/dbraw/zinc/64/49/98/384644998.db2.gz	TYRGLVWXHJRKMT-MRVPVSSYSA-N	-1	0	223.228	1.590	50	30		BDEARM
CCCc1cc(=O)n2[n-]c(C)c(C#N)c2n1	ZINC000101209003	384832049	/nfs/dbraw/zinc/83/20/49/384832049.db2.gz	XXPQIGMBTXQDCT-UHFFFAOYSA-N	-1	0	216.244	1.155	50	30		BDEARM
Cn1cc(C#N)c2cc(C(=O)[O-])cnc21	ZINC000072190679	385039308	/nfs/dbraw/zinc/03/93/08/385039308.db2.gz	CEXOQDQNAQGJNX-UHFFFAOYSA-N	-1	0	201.185	1.143	50	30		BDEARM
C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ncc[nH]2)C1	ZINC000091770522	386305973	/nfs/dbraw/zinc/30/59/73/386305973.db2.gz	HKCANHQUZBWLKK-ZDUSSCGKSA-N	-1	0	249.314	1.653	50	30		BDEARM
C=CCn1nc(CC(=O)[O-])c2ccccc2c1=O	ZINC000062702141	386524389	/nfs/dbraw/zinc/52/43/89/386524389.db2.gz	BOYGFRZCELCKDQ-UHFFFAOYSA-N	-1	0	244.250	1.210	50	30		BDEARM
O=C([O-])c1ccccc1NN=C1C=CC(=O)C=C1	ZINC000015020565	386723833	/nfs/dbraw/zinc/72/38/33/386723833.db2.gz	FBVSMDPNVYJNON-UHFFFAOYSA-N	-1	0	242.234	1.848	50	30	in-vitro	BDEARM
CC[C@H](C)n1c([O-])cc(C)c(C#N)c1=O	ZINC000009486381	388435625	/nfs/dbraw/zinc/43/56/25/388435625.db2.gz	DQIPDCAJGPCWSN-QMMMGPOBSA-N	-1	0	206.245	1.705	50	30		BDEARM
Cc1nsc(N(C)C[C@H](C)C(=O)[O-])c1C#N	ZINC000263561068	135360235	/nfs/dbraw/zinc/36/02/35/135360235.db2.gz	RNJWHQWKRSHJJT-LURJTMIESA-N	-1	0	239.300	1.480	50	30		BDEARM
CO[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000096450049	398079118	/nfs/dbraw/zinc/07/91/18/398079118.db2.gz	STTISUUKDUNMSK-ZETCQYMHSA-N	-1	0	220.228	1.237	50	30		BDEARM
C#CCN(C)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000225637716	166157807	/nfs/dbraw/zinc/15/78/07/166157807.db2.gz	DLMZJCIWURFFPE-UHFFFAOYSA-N	-1	0	225.194	1.376	50	30		BDEARM
C#CCOC(=O)c1cccc(C(=O)[O-])c1	ZINC000004499379	166194738	/nfs/dbraw/zinc/19/47/38/166194738.db2.gz	GSLIHRZEUMADSJ-UHFFFAOYSA-N	-1	0	204.181	1.175	50	30		BDEARM
C=CCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O	ZINC000004200291	166353371	/nfs/dbraw/zinc/35/33/71/166353371.db2.gz	WVOXIWJWBBJKCZ-UHFFFAOYSA-N	-1	0	231.207	1.167	50	30		BDEARM
O=C(Nc1ccncc1)c1ncccc1[O-]	ZINC000103492978	410897932	/nfs/dbraw/zinc/89/79/32/410897932.db2.gz	PWYYGXMHBLXPDR-ZHACJKMWSA-N	-1	0	215.212	1.430	50	30		BDEARM
CCO[N-]C(=O)[C@H](C)Oc1cccc(C#N)c1	ZINC000049346290	411231188	/nfs/dbraw/zinc/23/11/88/411231188.db2.gz	PVFFTYMLJJCJDX-VIFPVBQESA-N	-1	0	234.255	1.393	50	30		BDEARM
Cc1[n-]oc(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000022204683	168136316	/nfs/dbraw/zinc/13/63/16/168136316.db2.gz	HZYPLFZLATZRCW-XFXZXTDPSA-N	-1	0	248.198	1.295	50	30		BDEARM
CCNc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000006194067	170178960	/nfs/dbraw/zinc/17/89/60/170178960.db2.gz	IRAXRLDNBRAGED-UHFFFAOYSA-N	-1	0	235.268	1.599	50	30		BDEARM
CCOC(=O)COc1ccccc1/C=N/[O-]	ZINC000013111959	170229308	/nfs/dbraw/zinc/22/93/08/170229308.db2.gz	UNSHDVGOPIHWRQ-KPKJPENVSA-N	-1	0	223.228	1.437	50	30		BDEARM
COCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000096450060	174136217	/nfs/dbraw/zinc/13/62/17/174136217.db2.gz	YFHBRNCVEPOVMH-UHFFFAOYSA-N	-1	0	220.228	1.239	50	30		BDEARM
COc1ccc(C([O-])=CC=O)cc1OC	ZINC000100865778	175053547	/nfs/dbraw/zinc/05/35/47/175053547.db2.gz	HSTYTBJCCNMLKX-UHFFFAOYSA-N	-1	0	208.213	1.476	50	30		BDEARM
COc1ccc2c(c1)C([O-])=C(C=O)C(C)(C)O2	ZINC000002944864	175207100	/nfs/dbraw/zinc/20/71/00/175207100.db2.gz	GPHRKCYLXTYLNI-JTQLQIEISA-N	-1	0	234.251	1.864	50	30		BDEARM
CCOc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000005247634	635255362	/nfs/dbraw/zinc/25/53/62/635255362.db2.gz	SWTMCFMAKAHICQ-YRNVUSSQSA-N	-1	0	232.247	1.044	50	30		BDEARM
C(=CN=Nc1nnn[n-]1)Cc1ccccc1	ZINC000005578226	342766432	/nfs/dbraw/zinc/76/64/32/342766432.db2.gz	QBWXSGSAMQGELO-VCABWLAWSA-N	-1	0	214.232	1.311	50	30		BDEARM
Cc1c(C(=O)[O-])oc2c1/C(=N\O)CCC2	ZINC000013138775	342864159	/nfs/dbraw/zinc/86/41/59/342864159.db2.gz	CNONEGZGIONNGW-WDZFZDKYSA-N	-1	0	209.201	1.801	50	30		BDEARM
CCOc1ccc2c(c1)/C(=N\[O-])C(=O)N2	ZINC000005686518	346902877	/nfs/dbraw/zinc/90/28/77/346902877.db2.gz	ZLLYMPODMNIXKI-UHFFFAOYSA-N	-1	0	206.201	1.216	50	30		BDEARM
O=C([O-])c1ccccc1C=NN1CN=NC1=S	ZINC000005547904	346251398	/nfs/dbraw/zinc/25/13/98/346251398.db2.gz	WCXGEGNIZHZHSP-LFYBBSHMSA-N	-1	0	248.267	1.147	50	30		BDEARM
N#Cc1ccc(C(=O)C(=O)[O-])c(C(F)(F)F)c1	ZINC000725261693	538086620	/nfs/dbraw/zinc/08/66/20/538086620.db2.gz	CLGGMHDBTPKXKJ-UHFFFAOYSA-N	-1	0	243.140	1.844	50	30		BDEARM
CNC(=S)N=NCc1ccccc1C(=O)[O-]	ZINC000012416476	350616294	/nfs/dbraw/zinc/61/62/94/350616294.db2.gz	CYVNZYRDZOETEB-SDQBBNPISA-N	-1	0	237.284	1.224	50	30		BDEARM
C=CCc1c(C)nc(SCC(=O)[O-])[nH]c1=O	ZINC000009482624	187874602	/nfs/dbraw/zinc/87/46/02/187874602.db2.gz	FKBUJDBICCEBRE-UHFFFAOYSA-N	-1	0	240.284	1.396	50	30		BDEARM
N#C[C@]12C(=O)[N-]C(=O)[C@@]1(C#N)C21CCCCC1	ZINC000015878354	181062423	/nfs/dbraw/zinc/06/24/23/181062423.db2.gz	LLBJVYQOGDETIQ-TXEJJXNPSA-N	-1	0	229.239	1.467	50	30		BDEARM
N#Cc1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000090563228	181093376	/nfs/dbraw/zinc/09/33/76/181093376.db2.gz	QPLDPOAHODHBEP-UHFFFAOYSA-N	-1	0	205.169	1.028	50	30		BDEARM
N#Cc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000022141959	181127595	/nfs/dbraw/zinc/12/75/95/181127595.db2.gz	JJLWMGQTXIYABP-UHFFFAOYSA-N	-1	0	211.604	1.675	50	30		BDEARM
N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000035297715	181146022	/nfs/dbraw/zinc/14/60/22/181146022.db2.gz	JFMOBZGNIDTMSW-ZDUSSCGKSA-N	-1	0	244.294	1.997	50	30		BDEARM
CCCCCCCc1c([O-])[nH]c(=O)[nH]c1=O	ZINC000001598237	356987762	/nfs/dbraw/zinc/98/77/62/356987762.db2.gz	KBFOQFLBOGLELW-UHFFFAOYSA-N	-1	0	226.276	1.329	50	30		BDEARM
CN(CCC(=O)[O-])C(=O)C1(C#N)CCCC1	ZINC000097035951	384293785	/nfs/dbraw/zinc/29/37/85/384293785.db2.gz	BIPVFWQABMYUBO-UHFFFAOYSA-N	-1	0	224.260	1.003	50	30		BDEARM
[O-]/N=C(C(=N/O)/c1ccco1)\c1ccco1	ZINC000100012850	384608259	/nfs/dbraw/zinc/60/82/59/384608259.db2.gz	RBOZTFPIXJBLPK-WGDLNXRISA-N	-1	0	220.184	1.929	50	30		BDEARM
O=C([O-])/C=C\C(=O)c1ccc(F)c(F)c1	ZINC000033933542	384756137	/nfs/dbraw/zinc/75/61/37/384756137.db2.gz	VXEIUAVCQAVVOW-ARJAWSKDSA-N	-1	0	212.151	1.788	50	30		BDEARM
CCN(CCC#N)C(=O)c1ccc(F)cc1[O-]	ZINC000133247270	388381948	/nfs/dbraw/zinc/38/19/48/388381948.db2.gz	RVTHDHNQKKUBQN-UHFFFAOYSA-N	-1	0	236.246	1.907	50	30		BDEARM
Nn1c(=S)[n-]nc1NN=Cc1cccs1	ZINC000009333887	388430030	/nfs/dbraw/zinc/43/00/30/388430030.db2.gz	VXPKITKTEJYPNZ-RUDMXATFSA-N	-1	0	240.317	1.162	50	30		BDEARM
N#Cc1cccc(-c2ccc(N)nc2C(=O)[O-])c1	ZINC000065355614	388676362	/nfs/dbraw/zinc/67/63/62/388676362.db2.gz	JHMQDCMZDGDGPZ-UHFFFAOYSA-N	-1	0	239.234	1.901	50	30		BDEARM
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000043395250	132352886	/nfs/dbraw/zinc/35/28/86/132352886.db2.gz	TXYIAPGHRVSOLZ-NSHDSACASA-N	-1	0	245.282	1.563	50	30		BDEARM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCOC2)c1	ZINC000096450038	398079235	/nfs/dbraw/zinc/07/92/35/398079235.db2.gz	KXYKYQMBMDORKR-SECBINFHSA-N	-1	0	232.239	1.239	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)c1sccc1C	ZINC000086137975	166325832	/nfs/dbraw/zinc/32/58/32/166325832.db2.gz	GQECTYXZCSMVCG-UHFFFAOYSA-N	-1	0	239.296	1.769	50	30		BDEARM
CC[C@@]1(C)Cc2[n-]c(=O)c(C#N)cc2CO1	ZINC000008837054	171207691	/nfs/dbraw/zinc/20/76/91/171207691.db2.gz	QJJKDPQXRFSKRT-LBPRGKRZSA-N	-1	0	218.256	1.488	50	30		BDEARM
COc1ccc(C([O-])=CC=O)c(OC)c1	ZINC000101835603	175053888	/nfs/dbraw/zinc/05/38/88/175053888.db2.gz	BWXWSWYBDHSYKW-UHFFFAOYSA-N	-1	0	208.213	1.476	50	30		BDEARM
COc1ccccc1N=Nc1c(C)[n-]n(C)c1=O	ZINC000101389354	175335898	/nfs/dbraw/zinc/33/58/98/175335898.db2.gz	SQFUPOLTYXONGI-SDNWHVSQSA-N	-1	0	246.270	1.311	50	30		BDEARM
O=[N+]([O-])c1ccc2oc(/C=N/[O-])nc2c1	ZINC000253388101	527382218	/nfs/dbraw/zinc/38/22/18/527382218.db2.gz	HOBIAVJOIGRUHM-RUDMXATFSA-N	-1	0	207.145	1.544	50	30		BDEARM
CC(C)c1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000136094335	643224910	/nfs/dbraw/zinc/22/49/10/643224910.db2.gz	NAXVTXIRLHXPDS-UHFFFAOYSA-N	-1	0	202.217	1.018	50	30		BDEARM
N#Cc1cnccc1NC[C@H](CC(=O)[O-])C1CC1	ZINC000690447025	978279262	/nfs/dbraw/zinc/27/92/62/978279262.db2.gz	VHZUGUHJUSYTET-JTQLQIEISA-N	-1	0	245.282	1.288	50	30		BDEARM
C=C(c1ccccc1)[C@H](C(=O)[O-])S(C)(=O)=O	ZINC000000189876	343268757	/nfs/dbraw/zinc/26/87/57/343268757.db2.gz	SUTVKNUBDIMUQT-SNVBAGLBSA-N	-1	0	240.280	1.198	50	30		BDEARM
C#CCN[C@@H](C(=O)[O-])c1c(C)cc(C)cc1C	ZINC000051963487	166191002	/nfs/dbraw/zinc/19/10/02/166191002.db2.gz	IJQUDRXSRWPJAI-CYBMUJFWSA-N	-1	0	231.295	1.960	50	30	biogenic	BDEARM
C/C(=N\O)c1ccccc1OCC(=O)[O-]	ZINC000005184273	191121670	/nfs/dbraw/zinc/12/16/70/191121670.db2.gz	MTJWOHHVFBGVAG-YRNVUSSQSA-N	-1	0	209.201	1.348	50	30		BDEARM
N#Cc1cccc2c(=O)cc(C(=O)[O-])[nH]c12	ZINC000095629649	187800389	/nfs/dbraw/zinc/80/03/89/187800389.db2.gz	GWGAVUZLKUMIHT-UHFFFAOYSA-N	-1	0	214.180	1.510	50	30		BDEARM
N#Cc1ccc(CSc2nncc(=O)[n-]2)cc1	ZINC000005009601	181111143	/nfs/dbraw/zinc/11/11/43/181111143.db2.gz	PJJPJEVIXXQLDA-UHFFFAOYSA-N	-1	0	244.279	1.741	50	30		BDEARM
N#Cc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1	ZINC000002731820	181130856	/nfs/dbraw/zinc/13/08/56/181130856.db2.gz	YIALWNWWJOVCJG-ZJUUUORDSA-N	-1	0	234.280	1.346	50	30		BDEARM
N#Cc1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1	ZINC000035732216	181143522	/nfs/dbraw/zinc/14/35/22/181143522.db2.gz	LWQORVBOQCKBGK-UHFFFAOYSA-N	-1	0	248.267	1.082	50	30		BDEARM
C#CCSc1[n-]c(=O)cc(C)c1C#N	ZINC000013556768	355854797	/nfs/dbraw/zinc/85/47/97/355854797.db2.gz	SJNHFCUHNLZKET-UHFFFAOYSA-N	-1	0	204.254	1.280	50	30		BDEARM
COc1cc(C(=O)[N-]c2nncn2C2CC2)on1	ZINC000329120255	355898481	/nfs/dbraw/zinc/89/84/81/355898481.db2.gz	PRKVBZHLDDMDJI-UHFFFAOYSA-N	-1	0	249.230	1.246	50	30		BDEARM
CN(CCC(=O)[O-])c1ccc(C#N)cc1	ZINC000037932603	361397691	/nfs/dbraw/zinc/39/76/91/361397691.db2.gz	PQSYNTYTOUONOR-UHFFFAOYSA-N	-1	0	204.229	1.469	50	30		BDEARM
Cc1c(C#N)c2ccccc2n1CC(=O)[O-]	ZINC000000555461	369396811	/nfs/dbraw/zinc/39/68/11/369396811.db2.gz	JKRYSSLJLLGUDE-UHFFFAOYSA-N	-1	0	214.224	1.906	50	30		BDEARM
CCCc1cc(=O)n2[n-]c(C)c(C#N)c2n1	ZINC000008768528	372891444	/nfs/dbraw/zinc/89/14/44/372891444.db2.gz	ZVEOJZUUGYXBJA-UHFFFAOYSA-N	-1	0	216.244	1.568	50	30		BDEARM
O=C([O-])CCCNC(=O)OCc1ccccc1	ZINC000082058967	182435004	/nfs/dbraw/zinc/43/50/04/182435004.db2.gz	STQMDRQJSNKUAW-UHFFFAOYSA-N	-1	0	237.255	1.982	50	30	in-vitro	BDEARM
O=[N+]([O-])c1ccccc1/C(Cl)=N\[O-]	ZINC000100009703	182948434	/nfs/dbraw/zinc/94/84/34/182948434.db2.gz	SQHJGNRLAWHRNE-VQHVLOKHSA-N	-1	0	200.581	1.969	50	30		BDEARM
O=C(/C=N/[O-])Nc1cc(F)ccc1F	ZINC000091689979	384137692	/nfs/dbraw/zinc/13/76/92/384137692.db2.gz	FTVVNAGYNGCJFW-NYYWCZLTSA-N	-1	0	200.144	1.363	50	30		BDEARM
C[C@](C#N)(Cc1ccccc1F)C(=O)[O-]	ZINC000057494390	384747530	/nfs/dbraw/zinc/74/75/30/384747530.db2.gz	WFUABMCQKXFVSY-LLVKDONJSA-N	-1	0	207.204	1.983	50	30		BDEARM
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000084317435	384860497	/nfs/dbraw/zinc/86/04/97/384860497.db2.gz	PNFVIPIQXAIUAY-ZCFIWIBFSA-N	-1	0	203.238	1.579	50	30		BDEARM
O=C(/C=N/[O-])Nc1ccc(F)c(F)c1	ZINC000000550298	385495791	/nfs/dbraw/zinc/49/57/91/385495791.db2.gz	VRJNCQNABXEPDC-NYYWCZLTSA-N	-1	0	200.144	1.363	50	30		BDEARM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1F	ZINC000075147883	387041697	/nfs/dbraw/zinc/04/16/97/387041697.db2.gz	MGXJJXPWACILLV-QMMMGPOBSA-N	-1	0	242.275	1.870	50	30		BDEARM
O=C(C=CNc1ccccc1)C1=C([O-])CCC1=O	ZINC000100672255	387471805	/nfs/dbraw/zinc/47/18/05/387471805.db2.gz	QVCKDSPDOQOMCH-CMDGGOBGSA-N	-1	0	243.262	1.730	50	30		BDEARM
O=c1nc(C(=NO)c2ccccc2)[n-]o1	ZINC000013131082	387984364	/nfs/dbraw/zinc/98/43/64/387984364.db2.gz	LRQOVIQEWUSODA-XFFZJAGNSA-N	-1	0	205.173	1.002	50	30		BDEARM
CCOc1cc(C#N)cc([N+](=O)[O-])c1[O-]	ZINC000002736750	388349547	/nfs/dbraw/zinc/34/95/47/388349547.db2.gz	UASRAAQJUZPMJY-UHFFFAOYSA-N	-1	0	208.173	1.571	50	30		BDEARM
C=CCCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000054399337	388437187	/nfs/dbraw/zinc/43/71/87/388437187.db2.gz	IGVCLRHXEYJCMU-VIFPVBQESA-N	-1	0	213.277	1.568	50	30		BDEARM
CC(C)(NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000095969796	388795542	/nfs/dbraw/zinc/79/55/42/388795542.db2.gz	GAZWFEYBPRQIQU-UHFFFAOYSA-N	-1	0	246.266	1.346	50	30		BDEARM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCOC2)c1	ZINC000096450054	398079228	/nfs/dbraw/zinc/07/92/28/398079228.db2.gz	KQVRAJQRMZLTQW-JTQLQIEISA-N	-1	0	246.266	1.629	50	30		BDEARM
C=CCN(CC(=O)[O-])C(=O)C1CCCC1	ZINC000086138077	166326085	/nfs/dbraw/zinc/32/60/85/166326085.db2.gz	HSNXAHAGBSGGHB-UHFFFAOYSA-N	-1	0	211.261	1.276	50	30		BDEARM
CCOC(=O)C(C#N)=C([O-])c1ccco1	ZINC000012016188	170244810	/nfs/dbraw/zinc/24/48/10/170244810.db2.gz	MGSRVZOQMCXRTG-ZETCQYMHSA-N	-1	0	207.185	1.165	50	30		BDEARM
CCOC(=O)[C@@]12C[C@@H]1/C(=N\[O-])c1ccccc1O2	ZINC000013704065	170262990	/nfs/dbraw/zinc/26/29/90/170262990.db2.gz	FXCTZFMSAHZQTR-JABIWGIPSA-N	-1	0	247.250	1.579	50	30	in-vitro	BDEARM
CCOC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000001275653	170320179	/nfs/dbraw/zinc/32/01/79/170320179.db2.gz	HYBPDYOUVYBYAM-UHFFFAOYSA-N	-1	0	218.208	1.872	50	30		BDEARM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1F	ZINC000075147886	171219915	/nfs/dbraw/zinc/21/99/15/171219915.db2.gz	MGXJJXPWACILLV-MRVPVSSYSA-N	-1	0	242.275	1.870	50	30		BDEARM
CN1CCN(/C=C/C(=O)c2ccccc2[O-])CC1	ZINC000071774005	173064595	/nfs/dbraw/zinc/06/45/95/173064595.db2.gz	OWWCRHBQHAHABG-VOTSOKGWSA-N	-1	0	246.310	1.336	50	30		BDEARM
CC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C	ZINC000084721720	488085438	/nfs/dbraw/zinc/08/54/38/488085438.db2.gz	YDPNFDRRXWZORH-CIUDSAMLSA-N	-1	0	233.333	1.975	50	30		BDEARM
C=CCCC(=O)[N-]S(=O)(=O)N(CC)CC	ZINC000084773517	488094310	/nfs/dbraw/zinc/09/43/10/488094310.db2.gz	WIQHKWWHMFEDAP-UHFFFAOYSA-N	-1	0	234.321	1.496	50	30		BDEARM
CC(=NNc1ccc(F)c(F)c1)C(=O)[O-]	ZINC000100039565	518464658	/nfs/dbraw/zinc/46/46/58/518464658.db2.gz	LSTGHCMWOIFMAN-LFYBBSHMSA-N	-1	0	214.171	1.837	50	30		BDEARM
Cc1ccc(C([O-])=CC=O)cc1[N+](=O)[O-]	ZINC000101838340	582458433	/nfs/dbraw/zinc/45/84/33/582458433.db2.gz	LIPAIINTVJHKLP-UHFFFAOYSA-N	-1	0	207.185	1.675	50	30		BDEARM
C[C@@H](C(=N[O-])c1ccccc1)N1CC[C@@H](O)O1	ZINC000254440653	642724467	/nfs/dbraw/zinc/72/44/67/642724467.db2.gz	IYWNAOSGSFKBIF-ONGXEEELSA-N	-1	0	236.271	1.209	50	30		BDEARM
Cc1cc(=O)[n-]c(N=NC[C@H]2CC=CCC2)n1	ZINC000012496177	342852740	/nfs/dbraw/zinc/85/27/40/342852740.db2.gz	OSVTXCNZJBPEOQ-XNFYSYIQSA-N	-1	0	232.287	1.832	50	30		BDEARM
O=c1[nH]cc(N=Cc2ccccc2Cl)c(=O)[nH]1	ZINC000017001461	342918653	/nfs/dbraw/zinc/91/86/53/342918653.db2.gz	SZJQYVOIDZFXDH-WLRTZDKTSA-N	-1	0	249.657	1.467	50	30		BDEARM
O=C([O-])c1cccc(-n2cccc2/C=N/O)c1	ZINC000019825023	342958713	/nfs/dbraw/zinc/95/87/13/342958713.db2.gz	OFYDQOMTSGVDQY-MDWZMJQESA-N	-1	0	230.223	1.984	50	30		BDEARM
O=C([O-])c1cccc(C2=CC(=O)C=CC2=O)c1	ZINC000000518723	346959817	/nfs/dbraw/zinc/95/98/17/346959817.db2.gz	BZMZMABVDIPQLU-UHFFFAOYSA-N	-1	0	228.203	1.476	50	30	biogenic	BDEARM
O=C([O-])[C@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1	ZINC000004812278	344275185	/nfs/dbraw/zinc/27/51/85/344275185.db2.gz	XYNPWEXGEXTCLB-ZYHUDNBSSA-N	-1	0	232.235	1.886	50	30		BDEARM
C=CCC1(C(=O)[O-])CN(C(=O)OC(C)(C)C)C1	ZINC000307277635	537943895	/nfs/dbraw/zinc/94/38/95/537943895.db2.gz	RYVFABKHPULMNH-UHFFFAOYSA-N	-1	0	241.287	1.884	50	30		BDEARM
CC(=N/O)/C(=N\[O-])C(=O)N1CCCCCC1	ZINC000005369821	187757460	/nfs/dbraw/zinc/75/74/60/187757460.db2.gz	HQJKPDLGLARMCB-QABOREQESA-N	-1	0	227.264	1.069	50	30		BDEARM
C#CC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000002385930	188585678	/nfs/dbraw/zinc/58/56/78/188585678.db2.gz	QZRLAJLEZVWLOV-QMMMGPOBSA-N	-1	0	227.260	1.378	50	30		BDEARM
N#Cc1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000032264563	181139976	/nfs/dbraw/zinc/13/99/76/181139976.db2.gz	RPDCJBAOYBEESZ-PLNGDYQASA-N	-1	0	216.196	1.138	50	30		BDEARM
N#Cc1n[nH]cc1-c1cccc(C(=O)[O-])c1	ZINC000067654785	181167256	/nfs/dbraw/zinc/16/72/56/181167256.db2.gz	LSYLYDVAVLZURZ-UHFFFAOYSA-N	-1	0	213.196	1.647	50	30		BDEARM
N/C(=N\O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000142784025	368421009	/nfs/dbraw/zinc/42/10/09/368421009.db2.gz	NSFQGSYKNYKJCB-UHFFFAOYSA-N	-1	0	215.596	1.343	50	30		BDEARM
CCOc1ccccc1CN=Nc1nnn[n-]1	ZINC000004150944	372153164	/nfs/dbraw/zinc/15/31/64/372153164.db2.gz	ZRSVBCANPMXANU-YRNVUSSQSA-N	-1	0	232.247	1.044	50	30		BDEARM
Cc1cc(=O)n(-c2ccccc2)c([O-])c1C#N	ZINC000039110949	372872427	/nfs/dbraw/zinc/87/24/27/372872427.db2.gz	SHUBSJAVSRCZBR-UHFFFAOYSA-N	-1	0	226.235	1.723	50	30		BDEARM
COc1cc(C)ccc1NC(=O)/C=N/[O-]	ZINC000170626200	384879860	/nfs/dbraw/zinc/87/98/60/384879860.db2.gz	GMODTBHQFJOLOS-IZZDOVSWSA-N	-1	0	208.217	1.402	50	30		BDEARM
O=C([O-])C#Cc1cccc(Br)c1	ZINC000062714057	386523121	/nfs/dbraw/zinc/52/31/21/386523121.db2.gz	SATQURHUBJUFTF-UHFFFAOYSA-N	-1	0	225.041	1.885	50	30		BDEARM
C=CCOc1ccc(C(=O)[O-])cc1OC	ZINC000004219210	386780644	/nfs/dbraw/zinc/78/06/44/386780644.db2.gz	JAQPASQMIRCHIU-UHFFFAOYSA-N	-1	0	208.213	1.958	50	30		BDEARM
C#CCCCOc1cc(C(=O)[O-])ccn1	ZINC000263624845	387384768	/nfs/dbraw/zinc/38/47/68/387384768.db2.gz	UQRRYFWDJBFXGW-UHFFFAOYSA-N	-1	0	205.213	1.572	50	30		BDEARM
C=CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000054399453	388438737	/nfs/dbraw/zinc/43/87/37/388438737.db2.gz	NTJRSUCGNYCBNO-WPRPVWTQSA-N	-1	0	213.277	1.568	50	30		BDEARM
N#C/C(=N/[O-])C(=O)Nc1ccc(F)cc1	ZINC000101390784	410768423	/nfs/dbraw/zinc/76/84/23/410768423.db2.gz	AZWRISSPTYLEOZ-JYRVWZFOSA-N	-1	0	207.164	1.118	50	30		BDEARM
CN(C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035960475	172352788	/nfs/dbraw/zinc/35/27/88/172352788.db2.gz	AQJFDRVAPPBQNG-UXBLZVDNSA-N	-1	0	209.205	1.196	50	30		BDEARM
COc1cc(/C=N/[O-])c(OC)c2c1OCO2	ZINC000015081285	174941690	/nfs/dbraw/zinc/94/16/90/174941690.db2.gz	WBLXDOAARNXEFM-NYYWCZLTSA-N	-1	0	225.200	1.241	50	30		BDEARM
COc1cc2c(cn1)[nH]c(C(=O)[O-])c2CC#N	ZINC000030678214	175018417	/nfs/dbraw/zinc/01/84/17/175018417.db2.gz	AMKAGURTLGTPNF-UHFFFAOYSA-N	-1	0	231.211	1.336	50	30		BDEARM
CC(C=O)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000101411507	582458485	/nfs/dbraw/zinc/45/84/85/582458485.db2.gz	WFDLJXFGMPYABS-ZETCQYMHSA-N	-1	0	207.185	1.613	50	30		BDEARM
C[C@H](C(=N[O-])c1ccccc1)N1CC[C@@H](O)O1	ZINC000254440649	642725221	/nfs/dbraw/zinc/72/52/21/642725221.db2.gz	IYWNAOSGSFKBIF-KOLCDFICSA-N	-1	0	236.271	1.209	50	30		BDEARM
Cc1cc(C#N)cc(N(C)C[C@@H](C)C(=O)[O-])n1	ZINC000160846883	538912969	/nfs/dbraw/zinc/91/29/69/538912969.db2.gz	BEYLTQASEFEJRV-MRVPVSSYSA-N	-1	0	233.271	1.419	50	30		BDEARM
O=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000003861259	342738331	/nfs/dbraw/zinc/73/83/31/342738331.db2.gz	YPJUNDFVDDCYIH-UHFFFAOYSA-N	-1	0	214.036	1.904	50	30	in-vitro	BDEARM
O=C([O-])[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F	ZINC000019225902	342944340	/nfs/dbraw/zinc/94/43/40/342944340.db2.gz	CRARUCXWDNEBTJ-QVQDZQDPSA-N	-1	0	237.177	1.181	50	30		BDEARM
Cc1[n-]c(=O)c(C#N)cc1Br	ZINC000039332039	343388871	/nfs/dbraw/zinc/38/88/71/343388871.db2.gz	XSDIDMLVJLNNNV-UHFFFAOYSA-N	-1	0	213.034	1.730	50	30		BDEARM
Cc1ccccc1C(=O)N[C@@H](C)C(=O)[O-]	ZINC000082067938	179243686	/nfs/dbraw/zinc/24/36/86/179243686.db2.gz	NHVAASARHSFWSJ-QMMMGPOBSA-N	-1	0	207.229	1.773	50	30		BDEARM
Cc1ccccc1N/C(=N\[O-])c1nonc1N	ZINC000018020561	179295501	/nfs/dbraw/zinc/29/55/01/179295501.db2.gz	WIABMWXAGPALNQ-UHFFFAOYSA-N	-1	0	233.231	1.208	50	30		BDEARM
N#Cc1ccc(N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000019867208	181115389	/nfs/dbraw/zinc/11/53/89/181115389.db2.gz	QXPDICRRGHNHKO-LLVKDONJSA-N	-1	0	216.240	1.612	50	30		BDEARM
N#Cc1cccc(S(=O)(=O)[N-]c2cnoc2)c1	ZINC000060393568	181143673	/nfs/dbraw/zinc/14/36/73/181143673.db2.gz	PWEHNNCZUKKIOW-UHFFFAOYSA-N	-1	0	249.251	1.347	50	30		BDEARM
O=[N+]([O-])c1cccc(C=Nc2nc[nH]n2)c1[O-]	ZINC000006224360	357194451	/nfs/dbraw/zinc/19/44/51/357194451.db2.gz	KHRPXHHAQYRBEP-ONNFQVAWSA-N	-1	0	233.187	1.169	50	30		BDEARM
CCN(C)c1ccc(C=[NH+][N-]c2nnn[n-]2)cc1	ZINC000006417902	358013638	/nfs/dbraw/zinc/01/36/38/358013638.db2.gz	IUEKGDRPQGIRQH-XYOKQWHBSA-N	-1	0	245.290	1.102	50	30		BDEARM
O=C1N/C(=N\O)c2cc(Cl)cc(Cl)c21	ZINC000006557273	360087660	/nfs/dbraw/zinc/08/76/60/360087660.db2.gz	HMGYALQZGUPAIN-UHFFFAOYSA-N	-1	0	231.038	1.873	50	30		BDEARM
CC1(C)Cc2[n-]c(=O)c(C#N)cc2CS1	ZINC000008772682	372893613	/nfs/dbraw/zinc/89/36/13/372893613.db2.gz	OMJFDJDPDHDWIY-UHFFFAOYSA-N	-1	0	220.297	1.814	50	30		BDEARM
CCCCn1c([O-])cc(C)c(C#N)c1=O	ZINC000100001125	169035706	/nfs/dbraw/zinc/03/57/06/169035706.db2.gz	UGNXZCBVIDOPCO-UHFFFAOYSA-N	-1	0	206.245	1.534	50	30		BDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000089955528	169083193	/nfs/dbraw/zinc/08/31/93/169083193.db2.gz	ZRSSLBRNGVTBSI-UHFFFAOYSA-N	-1	0	246.332	1.496	50	30		BDEARM
O=C([O-])COc1ccc(/C=N/O)cc1Cl	ZINC000000452212	383867853	/nfs/dbraw/zinc/86/78/53/383867853.db2.gz	PRFCFWMEVHNNQN-NYYWCZLTSA-N	-1	0	229.619	1.612	50	30		BDEARM
C[C@]1(c2ccccc2)OC(C(=O)[O-])=CC1=O	ZINC000001841718	383939007	/nfs/dbraw/zinc/93/90/07/383939007.db2.gz	DFDGRKNOFOJBAJ-GFCCVEGCSA-N	-1	0	218.208	1.470	50	30	in-man	BDEARM
O=C([O-])/C=C\C(=O)c1ccc(F)cc1F	ZINC000096320133	384452272	/nfs/dbraw/zinc/45/22/72/384452272.db2.gz	GYTCEHNGUPAFMD-ARJAWSKDSA-N	-1	0	212.151	1.788	50	30		BDEARM
C[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1	ZINC000082067976	384644179	/nfs/dbraw/zinc/64/41/79/384644179.db2.gz	HYWJKPFAIAWVHP-SECBINFHSA-N	-1	0	237.255	1.980	50	30		BDEARM
N#C[C@@]1(C(=O)[O-])CCc2ccccc2C1	ZINC000085893732	384970571	/nfs/dbraw/zinc/97/05/71/384970571.db2.gz	RQOKINGODIOQSN-GFCCVEGCSA-N	-1	0	201.225	1.770	50	30		BDEARM
N#Cc1cc(F)cc(C2(C(=O)[O-])CC2)c1	ZINC000225419287	386194315	/nfs/dbraw/zinc/19/43/15/386194315.db2.gz	JCJZFTAHHQABSB-UHFFFAOYSA-N	-1	0	205.188	1.814	50	30		BDEARM
Cn1c2ccccc2c([O-])c(C#N)c1=O	ZINC000100115905	387093542	/nfs/dbraw/zinc/09/35/42/387093542.db2.gz	SOVQZHGSZJKNEH-UHFFFAOYSA-N	-1	0	200.197	1.116	50	30		BDEARM
CC(=O)/N=C(/Cc1ccccc1)C(=O)[O-]	ZINC000019862918	387384718	/nfs/dbraw/zinc/38/47/18/387384718.db2.gz	FJNNBNNLEUMDIQ-BENRWUELSA-N	-1	0	205.213	1.301	50	30		BDEARM
COc1ccccc1NC(=O)C(=N[O-])C(C)=O	ZINC000254796998	388365853	/nfs/dbraw/zinc/36/58/53/388365853.db2.gz	DYBHMKMYRGOXDC-UHFFFAOYSA-N	-1	0	236.227	1.053	50	30		BDEARM
C=CCCC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000054399575	388438721	/nfs/dbraw/zinc/43/87/21/388438721.db2.gz	VTGIKPCRVOPEPD-UHFFFAOYSA-N	-1	0	233.267	1.967	50	30		BDEARM
C[C@H](CN(C)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000111026001	388652372	/nfs/dbraw/zinc/65/23/72/388652372.db2.gz	ZUYKHVRMVDCDJD-MRVPVSSYSA-N	-1	0	236.246	1.854	50	30		BDEARM
C#CC(C)(C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000000143289	166114190	/nfs/dbraw/zinc/11/41/90/166114190.db2.gz	JIYFYNDLUWNHFQ-UHFFFAOYSA-N	-1	0	232.235	1.953	50	30		BDEARM
C#C[C@@](C)(CC)NC(=O)c1ccccc1C(=O)[O-]	ZINC000001432610	166214044	/nfs/dbraw/zinc/21/40/44/166214044.db2.gz	VZGYZZMXHDWMKP-AWEZNQCLSA-N	-1	0	245.278	1.917	50	30		BDEARM
C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000013352481	166295057	/nfs/dbraw/zinc/29/50/57/166295057.db2.gz	LQIMZUPFMSNHTM-MRVPVSSYSA-N	-1	0	229.276	1.931	50	30		BDEARM
C=CCNC(=O)COc1cc(C(=O)[O-])ccc1C	ZINC000013278003	166370745	/nfs/dbraw/zinc/37/07/45/166370745.db2.gz	YULDOIBGQDUWFS-UHFFFAOYSA-N	-1	0	249.266	1.374	50	30		BDEARM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000048869724	410554648	/nfs/dbraw/zinc/55/46/48/410554648.db2.gz	QKBVAXVAGIVSFQ-SECBINFHSA-N	-1	0	248.348	1.720	50	30		BDEARM
CCOc1ccc(NC(=O)/C=N/[O-])cc1	ZINC000000160908	170550826	/nfs/dbraw/zinc/55/08/26/170550826.db2.gz	LCSKYCHMODBOPE-YRNVUSSQSA-N	-1	0	208.217	1.484	50	30		BDEARM
COc1ccc(C/C(=N/O)C(=O)[O-])cc1	ZINC000004532445	175083099	/nfs/dbraw/zinc/08/30/99/175083099.db2.gz	IQZHUSREBYJGPY-LUAWRHEFSA-N	-1	0	209.201	1.153	50	30		BDEARM
Cc1n[n-]c(Nc2cccc(C#N)c2)nc1=O	ZINC000007996497	487853574	/nfs/dbraw/zinc/85/35/74/487853574.db2.gz	SYPHUKLXVXIMAZ-UHFFFAOYSA-N	-1	0	227.227	1.089	50	30		BDEARM
CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C	ZINC000084686944	488079985	/nfs/dbraw/zinc/07/99/85/488079985.db2.gz	GETJPDYKNCSKIT-IUCAKERBSA-N	-1	0	233.333	1.975	50	30		BDEARM
COc1ccc(C(=O)CC(=O)C(=O)[O-])cc1	ZINC000100339750	643275167	/nfs/dbraw/zinc/27/51/67/643275167.db2.gz	ORNVKJLDTIFUFH-UXBLZVDNSA-N	-1	0	222.196	1.404	50	30		BDEARM
C=CCSc1nc(CC)c(C#N)c(=O)[n-]1	ZINC000005238861	191122424	/nfs/dbraw/zinc/12/24/24/191122424.db2.gz	FUGYSVMVRZTOCX-UHFFFAOYSA-N	-1	0	221.285	1.482	50	30		BDEARM
COc1ccc(C=NOCC(=O)[O-])cc1	ZINC000252448121	363255276	/nfs/dbraw/zinc/25/52/76/363255276.db2.gz	SHNNDTPBBAXFPC-UHFFFAOYSA-N	-1	0	209.201	1.130	50	30		BDEARM
Cc1cc(Cl)cc2c1NC(=O)/C2=N\[O-]	ZINC000095929486	188584064	/nfs/dbraw/zinc/58/40/64/188584064.db2.gz	ZTVAASYZJFJHDR-UHFFFAOYSA-N	-1	0	210.620	1.779	50	30		BDEARM
N#Cc1ncc(Br)cc1C(=O)[O-]	ZINC000016125041	181170834	/nfs/dbraw/zinc/17/08/34/181170834.db2.gz	ZXMOKCFTQRVZOP-UHFFFAOYSA-N	-1	0	227.017	1.414	50	30		BDEARM
O=C1CCCC([O-])=C1I	ZINC000059367698	372173124	/nfs/dbraw/zinc/17/31/24/372173124.db2.gz	FEFGOJAUQXBSDP-UHFFFAOYSA-N	-1	0	238.024	1.944	50	30		BDEARM
O=CC(=C[O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000100000514	182849809	/nfs/dbraw/zinc/84/98/09/182849809.db2.gz	NYLPVNGQGLWFEA-UHFFFAOYSA-N	-1	0	227.603	1.730	50	30		BDEARM
Cn1ccnc1C/C(=N\[O-])C(F)(F)F	ZINC000017144004	384481514	/nfs/dbraw/zinc/48/15/14/384481514.db2.gz	FWIBPIDJCSZHIQ-LFYBBSHMSA-N	-1	0	207.155	1.355	50	30		BDEARM
CCCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000082068218	384645426	/nfs/dbraw/zinc/64/54/26/384645426.db2.gz	STYHMFPKRZIJHQ-UHFFFAOYSA-N	-1	0	228.292	1.497	50	30		BDEARM
CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@H]1C(=O)[O-]	ZINC000034382988	386074652	/nfs/dbraw/zinc/07/46/52/386074652.db2.gz	MIVXQYMYEMUMKK-SFYZADRCSA-N	-1	0	240.259	1.220	50	30		BDEARM
C=CCCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000054399450	388438637	/nfs/dbraw/zinc/43/86/37/388438637.db2.gz	NTJRSUCGNYCBNO-SCZZXKLOSA-N	-1	0	213.277	1.568	50	30		BDEARM
CCN(CC(=O)[O-])C(=O)c1ccc(CC#N)cc1	ZINC000262146835	135116018	/nfs/dbraw/zinc/11/60/18/135116018.db2.gz	MNSSTFJQBJGGNA-UHFFFAOYSA-N	-1	0	246.266	1.299	50	30		BDEARM
C=CCN(CC=C)c1ncccc1C(=O)[O-]	ZINC000019844491	166340004	/nfs/dbraw/zinc/34/00/04/166340004.db2.gz	GJDOEDKEIKLYLP-UHFFFAOYSA-N	-1	0	218.256	1.958	50	30		BDEARM
C=CCNc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000006855273	166409925	/nfs/dbraw/zinc/40/99/25/166409925.db2.gz	ZWXIRUMVIIJLIO-UHFFFAOYSA-N	-1	0	247.279	1.765	50	30		BDEARM
CC1=CC[C@H]([C@@]2(C)CC(C(=O)[O-])=NO2)CC1=O	ZINC000012416789	168121479	/nfs/dbraw/zinc/12/14/79/168121479.db2.gz	YDCLGBQQQCVZIB-QPUJVOFHSA-N	-1	0	237.255	1.531	50	30		BDEARM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/[O-]	ZINC000100149869	168133778	/nfs/dbraw/zinc/13/37/78/168133778.db2.gz	GUFNCNMKXLASAH-UKTHLTGXSA-N	-1	0	237.646	1.893	50	30		BDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[N+](=O)[O-]	ZINC000100037915	168135599	/nfs/dbraw/zinc/13/55/99/168135599.db2.gz	SHDODAWQDZOSFQ-VIFPVBQESA-N	-1	0	219.200	1.054	50	30		BDEARM
CCOC(=O)N=c1s[n-]c(C)c1C#N	ZINC000026475946	170244449	/nfs/dbraw/zinc/24/44/49/170244449.db2.gz	LAUBIZYDCJAKOB-UHFFFAOYSA-N	-1	0	211.246	1.892	50	30		BDEARM
COc1ccc2c(c1)CC/C(=C\C(=O)[O-])C2=O	ZINC000034432386	175208070	/nfs/dbraw/zinc/20/80/70/175208070.db2.gz	MAHPIJDPKFYPDB-VQHVLOKHSA-N	-1	0	232.235	1.835	50	30		BDEARM
C[C@@]1(C#N)CCCN(C(=O)CCC(=O)[O-])C1	ZINC000534670097	323158719	/nfs/dbraw/zinc/15/87/19/323158719.db2.gz	BGRZRSJFHIOQAO-NSHDSACASA-N	-1	0	224.260	1.003	50	30		BDEARM
CCCc1cc(C(=O)OCC)c(C#N)c(=O)[n-]1	ZINC000149798986	583768861	/nfs/dbraw/zinc/76/88/61/583768861.db2.gz	JJMDCUBUYANQNW-UHFFFAOYSA-N	-1	0	234.255	1.376	50	30		BDEARM
O=c1cc([O-])nc(NN=Cc2ccc(F)cc2)[nH]1	ZINC000015778118	642938859	/nfs/dbraw/zinc/93/88/59/642938859.db2.gz	GGZDJSFGJSNWGC-AWNIVKPZSA-N	-1	0	248.217	1.473	50	30		BDEARM
C[C@@H](C#N)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700361131	711990311	/nfs/dbraw/zinc/99/03/11/711990311.db2.gz	XDJOLFSBHBPDNR-SFYZADRCSA-N	-1	0	242.275	1.514	50	30		BDEARM
Cc1ccc(C(=O)CC(=O)C(=O)[O-])cc1	ZINC000100006608	178368335	/nfs/dbraw/zinc/36/83/35/178368335.db2.gz	HTHFQYJFCHROLP-POHAHGRESA-N	-1	0	206.197	1.704	50	30		BDEARM
O=C([O-])[C@H]1CCCN1/C=C/C(=O)C(F)(F)F	ZINC000019225905	342944315	/nfs/dbraw/zinc/94/43/15/342944315.db2.gz	CRARUCXWDNEBTJ-MXTDHUQFSA-N	-1	0	237.177	1.181	50	30		BDEARM
C/C(=N/[O-])C1C(=O)c2ccccc2C1=O	ZINC000100004613	344407988	/nfs/dbraw/zinc/40/79/88/344407988.db2.gz	PUPVXNUXPWTHAI-SDQBBNPISA-N	-1	0	203.197	1.532	50	30		BDEARM
C[C@@H](C=NNc1nncc(=O)[n-]1)c1ccccc1	ZINC000000129929	344559991	/nfs/dbraw/zinc/55/99/91/344559991.db2.gz	ORSXOQXKLHCXAX-PBJWJZLWSA-N	-1	0	243.270	1.366	50	30		BDEARM
C=CC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002583156	345782563	/nfs/dbraw/zinc/78/25/63/345782563.db2.gz	XVMAKOPYGXUPPU-NSHDSACASA-N	-1	0	229.276	1.931	50	30		BDEARM
N#Cc1cc(F)c(F)cc1C(=O)C(=O)[O-]	ZINC000725261916	538087921	/nfs/dbraw/zinc/08/79/21/538087921.db2.gz	NGURAEPDIFZJGE-UHFFFAOYSA-N	-1	0	211.123	1.104	50	30		BDEARM
Cc1ccnc(N(C)C[C@@H](C)C(=O)[O-])c1C#N	ZINC000135044047	538114592	/nfs/dbraw/zinc/11/45/92/538114592.db2.gz	LFTOMGWUOYXQCL-SECBINFHSA-N	-1	0	233.271	1.419	50	30		BDEARM
C[C@@H](CN(C)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000093396139	538117691	/nfs/dbraw/zinc/11/76/91/538117691.db2.gz	GDSNYRRYGULDJU-QMMMGPOBSA-N	-1	0	236.246	1.854	50	30		BDEARM
C#CCCCOc1ccc(C(=O)[O-])cn1	ZINC000263625026	188442199	/nfs/dbraw/zinc/44/21/99/188442199.db2.gz	WCEAOFYECUKUBE-UHFFFAOYSA-N	-1	0	205.213	1.572	50	30		BDEARM
C=CCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000006731132	166387752	/nfs/dbraw/zinc/38/77/52/166387752.db2.gz	HAMXQRSEDGZKRF-KATARQTJSA-N	-1	0	223.272	1.036	50	30		BDEARM
N#Cc1c(Cl)cc(C(=O)[O-])nc1Cl	ZINC000091301678	181073769	/nfs/dbraw/zinc/07/37/69/181073769.db2.gz	NOLRVNOZBGZFCN-UHFFFAOYSA-N	-1	0	217.011	1.958	50	30		BDEARM
N#Cc1cc(O)c(C(=O)[O-])cc1Br	ZINC000263623628	181091213	/nfs/dbraw/zinc/09/12/13/181091213.db2.gz	JEDKMJWMMJUMBO-UHFFFAOYSA-N	-1	0	242.028	1.725	50	30		BDEARM
N#Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000062117445	181135312	/nfs/dbraw/zinc/13/53/12/181135312.db2.gz	QYFTYPSWBWMUPY-NSHDSACASA-N	-1	0	244.250	1.105	50	30		BDEARM
N#Cc1cccc(C(=O)NCCCCC(=O)[O-])c1	ZINC000070199879	181136024	/nfs/dbraw/zinc/13/60/24/181136024.db2.gz	YQTQGSLCJYSQBR-UHFFFAOYSA-N	-1	0	246.266	1.543	50	30		BDEARM
N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000035297713	181145033	/nfs/dbraw/zinc/14/50/33/181145033.db2.gz	JFMOBZGNIDTMSW-CYBMUJFWSA-N	-1	0	244.294	1.997	50	30		BDEARM
NC(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000082059031	181202892	/nfs/dbraw/zinc/20/28/92/181202892.db2.gz	CNRAIJZCOJXFAK-MRVPVSSYSA-N	-1	0	236.227	1.370	50	30		BDEARM
CC(C)(O)C#Cc1ccc(C(=O)[O-])cc1	ZINC000019088312	356481164	/nfs/dbraw/zinc/48/11/64/356481164.db2.gz	JBLUITWCDABZAF-UHFFFAOYSA-N	-1	0	204.225	1.507	50	30		BDEARM
O=C(/C=N/[O-])Nc1ccc2oc(=O)ccc2c1	ZINC000100468072	181850730	/nfs/dbraw/zinc/85/07/30/181850730.db2.gz	CTHHPPPYRKAUOF-WUXMJOGZSA-N	-1	0	232.195	1.192	50	30	biogenic	BDEARM
O=C([O-])CC/C(Cc1ccccc1)=N\O	ZINC000004898998	182431527	/nfs/dbraw/zinc/43/15/27/182431527.db2.gz	XRSXRIKTJGFWQW-ZRDIBKRKSA-N	-1	0	207.229	1.924	50	30		BDEARM
O=C([O-])CCNC=C1C(=O)c2ccccc2C1=O	ZINC000020095867	182447128	/nfs/dbraw/zinc/44/71/28/182447128.db2.gz	XCJFSLAPONRTTK-UHFFFAOYSA-N	-1	0	245.234	1.014	50	30		BDEARM
O=C([O-])/C=C/C(=O)c1ccc(F)c(F)c1	ZINC000003267994	384003708	/nfs/dbraw/zinc/00/37/08/384003708.db2.gz	VXEIUAVCQAVVOW-ONEGZZNKSA-N	-1	0	212.151	1.788	50	30		BDEARM
CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nnn[n-]1)C2	ZINC000012384177	384767394	/nfs/dbraw/zinc/76/73/94/384767394.db2.gz	RJEDFHYKZQUSQN-IEZQZJJWSA-N	-1	0	234.307	1.814	50	30		BDEARM
C=CCOc1c(OC)ccc(C(=O)[O-])c1OC	ZINC000068675294	384818429	/nfs/dbraw/zinc/81/84/29/384818429.db2.gz	SJKSCUDIPOAIBR-UHFFFAOYSA-N	-1	0	238.239	1.967	50	30		BDEARM
CC(C)(C)c1cc(=O)n2c(C#N)c(C#N)[n-]c2n1	ZINC000002633311	388346873	/nfs/dbraw/zinc/34/68/73/388346873.db2.gz	YYMUPVOQOOOJLA-UHFFFAOYSA-N	-1	0	241.254	1.063	50	30		BDEARM
C[C@H](CC#N)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000096012404	388802958	/nfs/dbraw/zinc/80/29/58/388802958.db2.gz	AIVWQSWOUJKROC-SSDOTTSWSA-N	-1	0	249.226	1.332	50	30		BDEARM
COC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1	ZINC000096029256	388803333	/nfs/dbraw/zinc/80/33/33/388803333.db2.gz	HWPAIPTYSWLOCZ-UHFFFAOYSA-N	-1	0	228.207	1.186	50	30		BDEARM
Cc1ccc(C(=O)[O-])c(N2CCC[C@H](C#N)C2)n1	ZINC000032587028	132335548	/nfs/dbraw/zinc/33/55/48/132335548.db2.gz	BJDOBGJPUDABSJ-SNVBAGLBSA-N	-1	0	245.282	1.828	50	30		BDEARM
Cc1c(Cl)cnc(N(C)CC(=O)[O-])c1C#N	ZINC000263436687	135354872	/nfs/dbraw/zinc/35/48/72/135354872.db2.gz	VOQLFDQLUKVIKQ-UHFFFAOYSA-N	-1	0	239.662	1.436	50	30		BDEARM
CC=Cc1nc(SC)c(C#N)c(=O)[n-]1	ZINC000012475970	398005975	/nfs/dbraw/zinc/00/59/75/398005975.db2.gz	YYDSYWBQAIBPFV-ONEGZZNKSA-N	-1	0	207.258	1.397	50	30		BDEARM
C[C@@]1(c2ccccc2)OC(C(=O)[O-])=CC1=O	ZINC000000000010	176547346	/nfs/dbraw/zinc/54/73/46/176547346.db2.gz	DFDGRKNOFOJBAJ-LBPRGKRZSA-N	-1	0	218.208	1.470	50	30	in-man	BDEARM
C[C@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCS	ZINC000000235508	177129563	/nfs/dbraw/zinc/12/95/63/177129563.db2.gz	UHIOKYGCFGNNCU-JGVFFNPUSA-N	-1	0	231.317	1.161	50	30	biogenic	BDEARM
C[C@@H](CC#N)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700402279	711992065	/nfs/dbraw/zinc/99/20/65/711992065.db2.gz	GFAVNKLTLDALGH-YUMQZZPRSA-N	-1	0	242.275	1.514	50	30		BDEARM