smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])n(C[C@H](C)O)c(=O)c1C#N	ZINC000001425843	178200505	/nfs/dbraw/zinc/20/05/05/178200505.db2.gz	JOJBQCMKODUKIZ-ZETCQYMHSA-N	-1	0	208.217	0.115	50	30		BCEARM
Cc1cc(=O)[n-]c(SCC(N)=O)c1C#N	ZINC000004102633	178203672	/nfs/dbraw/zinc/20/36/72/178203672.db2.gz	INRXNLLLMSJJIE-UHFFFAOYSA-N	-1	0	223.257	0.545	50	30		BCEARM
C/N=C1\S[C@H](CC(=O)[O-])C(=O)N1C	ZINC000012367499	188279579	/nfs/dbraw/zinc/27/95/79/188279579.db2.gz	JYCIIMYFSHYOEI-NFUDMSOPSA-N	-1	0	202.235	0.021	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@H]2C(=O)C=CC(=O)[C@H]12	ZINC000017313505	353441099	/nfs/dbraw/zinc/44/10/99/353441099.db2.gz	HMHYLJXNGHJBJD-PJKMHFRUSA-N	-1	0	206.197	0.588	50	30		BCEARM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])C(N)=O	ZINC000006343720	181024912	/nfs/dbraw/zinc/02/49/12/181024912.db2.gz	IBNPRTBRIYPXGJ-QPEQYQDCSA-N	-1	0	233.187	0.372	50	30		BCEARM
N#CCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000000241289	181034056	/nfs/dbraw/zinc/03/40/56/181034056.db2.gz	DRUAFAJGNZBDQX-UHFFFAOYSA-N	-1	0	224.241	0.405	50	30		BCEARM
N#C[C@@H](C(=O)[O-])[C@H]1C(=O)Nc2ccccc21	ZINC000019142621	181054784	/nfs/dbraw/zinc/05/47/84/181054784.db2.gz	DQGDHSNPSSYJGU-APPZFPTMSA-N	-1	0	216.196	0.947	50	30		BCEARM
N#Cc1cc2c(cc1CC(=O)[O-])OCO2	ZINC000039185979	181092970	/nfs/dbraw/zinc/09/29/70/181092970.db2.gz	GPLFNXWWTHGVKH-UHFFFAOYSA-N	-1	0	205.169	0.914	50	30		BCEARM
N#Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000020154790	181117469	/nfs/dbraw/zinc/11/74/69/181117469.db2.gz	AWHVWOBPWUNUBZ-SECBINFHSA-N	-1	0	230.223	0.996	50	30		BCEARM
N#Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1	ZINC000061844804	181129438	/nfs/dbraw/zinc/12/94/38/181129438.db2.gz	ZHTZCCKHIMZSGB-UHFFFAOYSA-N	-1	0	249.255	0.477	50	30		BCEARM
N#Cc1ccccc1Cn1cc(CC(=O)[O-])nn1	ZINC000036719708	181146567	/nfs/dbraw/zinc/14/65/67/181146567.db2.gz	VPZOXDUDFJUMEH-UHFFFAOYSA-N	-1	0	242.238	0.825	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@@H]2[C@@H](O)C=CC(=O)[C@@H]12	ZINC000016991418	355883480	/nfs/dbraw/zinc/88/34/80/355883480.db2.gz	IZTKKSDDRFMLJJ-BDNRQGISSA-N	-1	0	208.213	0.379	50	30		BCEARM
NC(=S)N/N=C/c1cccc(C(=O)[O-])c1O	ZINC000000068432	181317976	/nfs/dbraw/zinc/31/79/76/181317976.db2.gz	NFUMJPZOQVNXEI-NYYWCZLTSA-N	-1	0	239.256	0.258	50	30		BCEARM
CCC(C)=NNc1nc(O)c(CC(=O)[O-])s1	ZINC000252598955	363984041	/nfs/dbraw/zinc/98/40/41/363984041.db2.gz	DFIQZUIFUUDGGC-ZCFIWIBFSA-N	-1	0	243.288	0.835	50	30		BCEARM
N#Cc1nn(-c2cccc(Cl)c2)c(=O)[n-]c1=O	ZINC000000169469	369366695	/nfs/dbraw/zinc/36/66/95/369366695.db2.gz	LFHUMQNNLWKIIP-UHFFFAOYSA-N	-1	0	248.629	0.446	50	30		BCEARM
O=c1cn[n-]c(N/N=C/[C@H]2CC=CCC2)n1	ZINC000013543946	183006748	/nfs/dbraw/zinc/00/67/48/183006748.db2.gz	IAJFBHSFXIFFDV-KIFNTFBYSA-N	-1	0	219.248	0.919	50	30		BCEARM
Nn1cnnc1N=NCc1ccc(C(=O)[O-])cc1	ZINC000004724076	384077790	/nfs/dbraw/zinc/07/77/90/384077790.db2.gz	JQGLNQPNNDTOFK-LFYBBSHMSA-N	-1	0	246.230	0.136	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2ccccc2O)nc1=O	ZINC000009335031	384245216	/nfs/dbraw/zinc/24/52/16/384245216.db2.gz	WZKXIAKFAUWNDM-WUXMJOGZSA-N	-1	0	245.242	0.625	50	30		BCEARM
Cc1cc(C(F)(F)F)nn1C/C(N)=N/O	ZINC000012394912	384316209	/nfs/dbraw/zinc/31/62/09/384316209.db2.gz	VHUCUWOMIIRBOO-UHFFFAOYSA-N	-1	0	222.170	0.957	50	30		BCEARM
O=C1C=C(S(=O)(=O)[O-])[C@H]2C=CCC=C2C1=O	ZINC000100511331	384338717	/nfs/dbraw/zinc/33/87/17/384338717.db2.gz	IDDIXUIEQOQUOS-BQBZGAKWSA-N	-1	0	240.236	0.268	50	30		BCEARM
O=C([O-])CNC=C1C(=O)c2ccccc2C1=O	ZINC000016037744	384450715	/nfs/dbraw/zinc/45/07/15/384450715.db2.gz	FTRHQTZVQUOXHO-UHFFFAOYSA-N	-1	0	231.207	0.624	50	30		BCEARM
CON=Cc1c(=O)[nH][n-]c1C(F)(F)F	ZINC000100925895	384658840	/nfs/dbraw/zinc/65/88/40/384658840.db2.gz	FDQWUNPNQVELNJ-IZHDJAMQSA-N	-1	0	209.127	0.283	50	30		BCEARM
CCOc1cc(O)ccc1CN=Nc1nnn[n-]1	ZINC000103760405	384785506	/nfs/dbraw/zinc/78/55/06/384785506.db2.gz	HYVIVNWOFRGYLV-WDZFZDKYSA-N	-1	0	248.246	0.750	50	30		BCEARM
C[C@](O)(CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000130339209	387602791	/nfs/dbraw/zinc/60/27/91/387602791.db2.gz	JPELEGKPKPOENF-NSHDSACASA-N	-1	0	220.228	0.806	50	30		BCEARM
CCCc1cc(=O)[nH]c(NN=C(C)C(=O)[O-])n1	ZINC000006693662	387610956	/nfs/dbraw/zinc/61/09/56/387610956.db2.gz	VBFZFBYNRPBPNN-MLPAPPSSSA-N	-1	0	238.247	0.595	50	30		BCEARM
O=C([O-])/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000003883684	322812466	/nfs/dbraw/zinc/81/24/66/322812466.db2.gz	PKUSHMFPTILMCD-DUXPYHPUSA-N	-1	0	247.206	0.841	50	30		BCEARM
CO[N-]C(=O)[C@H](C)ON=Cc1ccccc1O	ZINC000254826244	388370956	/nfs/dbraw/zinc/37/09/56/388370956.db2.gz	GPYNOKFPDRMSSW-QMMMGPOBSA-N	-1	0	238.243	0.809	50	30		BCEARM
CN1CCN(N=Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000606347388	388388937	/nfs/dbraw/zinc/38/89/37/388388937.db2.gz	ZLYBONLRDKVFML-UHFFFAOYSA-N	-1	0	247.298	0.966	50	30		BCEARM
CC1(C)[C@H](C(=O)Nc2n[nH]cc2C#N)[C@@H]1C(=O)[O-]	ZINC000071280759	388443011	/nfs/dbraw/zinc/44/30/11/388443011.db2.gz	JMVNVKUCOPGZOK-NKWVEPMBSA-N	-1	0	248.242	0.577	50	30		BCEARM
C=CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000002424723	166378647	/nfs/dbraw/zinc/37/86/47/166378647.db2.gz	DJPGIIHWHQQUIA-QMMMGPOBSA-N	-1	0	214.265	0.971	50	30		BCEARM
Cc1cc([O-])c(C(=O)C=CN(C)C)c(=O)o1	ZINC000019702541	168092310	/nfs/dbraw/zinc/09/23/10/168092310.db2.gz	MSHRPAGNDWEUJF-ORAHPGNNSA-N	-1	0	223.228	0.277	50	30		BCEARM
COc1ccc(CN=Nc2nnn[n-]2)cc1OC	ZINC000030731396	175050174	/nfs/dbraw/zinc/05/01/74/175050174.db2.gz	MUKQQHDEPPQVCB-WDZFZDKYSA-N	-1	0	248.246	0.663	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2cccs2)nc1=O	ZINC000011024240	566268324	/nfs/dbraw/zinc/26/83/24/566268324.db2.gz	IVHOVBJOZNAFTI-BJMVGYQFSA-N	-1	0	235.272	0.981	50	30		BCEARM
Cc1cc([O-])c(C(=O)/C=C\N(C)C)c(=O)o1	ZINC000012339394	178192990	/nfs/dbraw/zinc/19/29/90/178192990.db2.gz	MWWHOYAVFMXZAC-PLNGDYQASA-N	-1	0	223.228	0.912	50	30		BCEARM
O=S(=O)([O-])OCC/N=C/c1ccccc1	ZINC000020840474	342996066	/nfs/dbraw/zinc/99/60/66/342996066.db2.gz	OEMALXYOGRCZJH-CSKARUKUSA-N	-1	0	229.257	0.925	50	30		BCEARM
C=CCn1c2ccccc2c([O-])c(C(N)=O)c1=O	ZINC000170624589	187227150	/nfs/dbraw/zinc/22/71/50/187227150.db2.gz	KMRXDEAAKRDPNO-UHFFFAOYSA-N	-1	0	244.250	0.992	50	30		BCEARM
C=C(C)C(=O)OCCOC(=O)/C=C\C(=O)[O-]	ZINC000100388675	187286998	/nfs/dbraw/zinc/28/69/98/187286998.db2.gz	HSFXEOPJXMFQHG-ARJAWSKDSA-N	-1	0	228.200	0.290	50	30		BCEARM
C#CC[C@H](NC(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000149824335	347525049	/nfs/dbraw/zinc/52/50/49/347525049.db2.gz	IDMCRTSWFWJFHL-ZJUUUORDSA-N	-1	0	239.271	0.538	50	30		BCEARM
O=[N+]([O-])c1cccc(CN=Nc2nnn[n-]2)c1	ZINC000003898311	352388524	/nfs/dbraw/zinc/38/85/24/352388524.db2.gz	MOBPXYNVDCHCSQ-WEVVVXLNSA-N	-1	0	233.191	0.554	50	30		BCEARM
CC(C)(C)c1nnc2c(C#N)c(N)[n-]n2c1=O	ZINC000100212677	187710105	/nfs/dbraw/zinc/71/01/05/187710105.db2.gz	SQDXDBTVPBBKDI-UHFFFAOYSA-N	-1	0	232.247	0.169	50	30		BCEARM
N#C/C(=N/[O-])S(=O)(=O)c1ccccn1	ZINC000100015929	181024770	/nfs/dbraw/zinc/02/47/70/181024770.db2.gz	YGMWCSZEJYENBM-YFHOEESVSA-N	-1	0	211.202	0.167	50	30		BCEARM
N#C/C(=N\[O-])S(=O)(=O)c1ccccc1	ZINC000000095573	181025172	/nfs/dbraw/zinc/02/51/72/181025172.db2.gz	WUECNENOORYKIB-CSKARUKUSA-N	-1	0	210.214	0.772	50	30		BCEARM
N#Cc1c(-c2ccccc2)nc(NN)[n-]c1=O	ZINC000039646096	181072823	/nfs/dbraw/zinc/07/28/23/181072823.db2.gz	NCEWQUJNTKRBCO-UHFFFAOYSA-N	-1	0	227.227	0.594	50	30		BCEARM
N#Cc1c2c([nH]c(=O)c1C(=O)[O-])CCCC2	ZINC000078550016	181079270	/nfs/dbraw/zinc/07/92/70/181079270.db2.gz	WIVRGMMAFTXWTN-UHFFFAOYSA-N	-1	0	218.212	0.824	50	30		BCEARM
C#CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000004182997	355353510	/nfs/dbraw/zinc/35/35/10/355353510.db2.gz	QRXPKHHRHINWSQ-DHZHZOJOSA-N	-1	0	242.234	0.879	50	30		BCEARM
Cc1occc1C([O-])=C(C#N)S(C)(=O)=O	ZINC000088300622	538572839	/nfs/dbraw/zinc/57/28/39/538572839.db2.gz	IFTORICSFBVNMX-QMMMGPOBSA-N	-1	0	227.241	0.708	50	30		BCEARM
CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000225473148	358190374	/nfs/dbraw/zinc/19/03/74/358190374.db2.gz	KVDFTPRXVHTTKW-UHFFFAOYSA-N	-1	0	230.289	0.536	50	30		BCEARM
COc1ccc2c(c1)C(=N[O-])C(=O)N2C	ZINC000252619133	364151812	/nfs/dbraw/zinc/15/18/12/364151812.db2.gz	LNBMXSKDJCUCIS-UHFFFAOYSA-N	-1	0	206.201	0.850	50	30		BCEARM
O=C(/C=N/[O-])Nc1ccc([N+](=O)[O-])cc1	ZINC000017022939	181850497	/nfs/dbraw/zinc/85/04/97/181850497.db2.gz	LULLDSAESQNSDI-WEVVVXLNSA-N	-1	0	209.161	0.993	50	30		BCEARM
CCCc1cc(C(=O)[N-]S(C)(=O)=O)[nH]n1	ZINC000042280078	169562422	/nfs/dbraw/zinc/56/24/22/169562422.db2.gz	WLJVAYNIXGQACW-UHFFFAOYSA-N	-1	0	231.277	0.626	50	30		BCEARM
COC(=O)c1ccc(NC(=O)/C=N/[O-])cc1	ZINC000000226084	383845796	/nfs/dbraw/zinc/84/57/96/383845796.db2.gz	WQVZSNJAOOYOPF-IZZDOVSWSA-N	-1	0	222.200	0.872	50	30		BCEARM
Cc1ccc(S(=O)(=O)OCC(=O)[O-])cc1	ZINC000001747045	383933840	/nfs/dbraw/zinc/93/38/40/383933840.db2.gz	NSORSORRXHLKQV-UHFFFAOYSA-N	-1	0	230.241	0.785	50	30	in-vitro	BCEARM
C=CCOc1nc(=O)[n-]c(OCC=C)n1	ZINC000002527926	384183794	/nfs/dbraw/zinc/18/37/94/384183794.db2.gz	VSZARHUCMHICLD-UHFFFAOYSA-N	-1	0	209.205	0.707	50	30		BCEARM
C=CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000003394183	384251265	/nfs/dbraw/zinc/25/12/65/384251265.db2.gz	NKCFJTWULJOLDV-UHFFFAOYSA-N	-1	0	241.268	0.849	50	30		BCEARM
C/N=C1/S[C@@H](CC(=O)[O-])C(=O)N1C	ZINC000095611346	384382798	/nfs/dbraw/zinc/38/27/98/384382798.db2.gz	JYCIIMYFSHYOEI-OWRQZNHBSA-N	-1	0	202.235	0.021	50	30		BCEARM
O=c1[nH][n-]c(-c2ccccc2)c1C=NO	ZINC000100925922	384659608	/nfs/dbraw/zinc/65/96/08/384659608.db2.gz	VSEYLRZNOIXDRI-KIFNTFBYSA-N	-1	0	203.201	0.597	50	30		BCEARM
C/N=C1/S[C@@H](C(=O)[O-])CC(=O)N1C	ZINC000085658195	384960498	/nfs/dbraw/zinc/96/04/98/384960498.db2.gz	NWIDFNCGAHZMPM-NFAHRKRTSA-N	-1	0	202.235	0.021	50	30		BCEARM
C#CC[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000008225233	385938168	/nfs/dbraw/zinc/93/81/68/385938168.db2.gz	SYQPSBNTKXBSMY-UHFFFAOYSA-N	-1	0	231.223	0.876	50	30		BCEARM
C=CCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000001760455	386649727	/nfs/dbraw/zinc/64/97/27/386649727.db2.gz	CBBMWYALVWTFIS-UHFFFAOYSA-N	-1	0	241.268	0.849	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@@H]2C(=O)C=CC(=O)[C@H]12	ZINC000100965322	387298397	/nfs/dbraw/zinc/29/83/97/387298397.db2.gz	HMHYLJXNGHJBJD-XSSZXYGBSA-N	-1	0	206.197	0.588	50	30		BCEARM
O=S1(=O)CC[C@H](NC(=S)[S-])C1	ZINC000334159518	135322193	/nfs/dbraw/zinc/32/21/93/135322193.db2.gz	ORCMUXSLFVVHNI-BYPYZUCNSA-P	-1	0	212.341	0.536	50	30		BCEARM
C=CCN(CC(=O)[O-])C(=O)c1ccoc1	ZINC000086138047	166326890	/nfs/dbraw/zinc/32/68/90/166326890.db2.gz	FCBGXNIWOLSAQH-UHFFFAOYSA-N	-1	0	209.201	0.992	50	30		BCEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc[nH]2)C1=O	ZINC000000440915	166350850	/nfs/dbraw/zinc/35/08/50/166350850.db2.gz	CZRDKHWFWXVMEW-VQHVLOKHSA-N	-1	0	245.238	0.663	50	30		BCEARM
C=CCNC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000002429432	166380198	/nfs/dbraw/zinc/38/01/98/166380198.db2.gz	GNIYMSDHUQCLQC-SFYZADRCSA-N	-1	0	214.265	0.971	50	30		BCEARM
Cc1cc([O-])c(C(=O)C=CN(C)C)c(=O)o1	ZINC000019702539	168092949	/nfs/dbraw/zinc/09/29/49/168092949.db2.gz	MSHRPAGNDWEUJF-YEZKRMTDSA-N	-1	0	223.228	0.277	50	30		BCEARM
CC1=CC[C@]2(C#N)C(=O)[N-]C(=O)[C@@]2(C#N)C1	ZINC000000493795	168122322	/nfs/dbraw/zinc/12/23/22/168122322.db2.gz	DSDBUADJPKDBEX-QWRGUYRKSA-N	-1	0	215.212	0.403	50	30		BCEARM
CCN=C1NN=C(C(=NOC)C(=O)[O-])CS1	ZINC000013563735	170108294	/nfs/dbraw/zinc/10/82/94/170108294.db2.gz	HZXISCYMBJUSMV-WUXMJOGZSA-N	-1	0	244.276	0.142	50	30		BCEARM
CCOC(=O)/C(=N\[O-])C(=O)c1ccccn1	ZINC000071772957	170181107	/nfs/dbraw/zinc/18/11/07/170181107.db2.gz	XTJVACQPRMZXFB-WQLSENKSSA-N	-1	0	222.200	0.658	50	30		BCEARM
CCOC(=O)[C@H](C#N)[N-]C(=O)C(F)(F)F	ZINC000002206319	170264283	/nfs/dbraw/zinc/26/42/83/170264283.db2.gz	ZZVJBRBCDHCNHS-BYPYZUCNSA-N	-1	0	224.138	0.120	50	30		BCEARM
CO/N=C(\C(=O)[O-])c1cn2ccccc2n1	ZINC000006150110	173491674	/nfs/dbraw/zinc/49/16/74/173491674.db2.gz	YBSCLRJQPCGAQT-XFXZXTDPSA-N	-1	0	219.200	0.769	50	30		BCEARM
COc1ccc(CN=Nc2nnn[n-]2)cc1OC	ZINC000003897267	175048965	/nfs/dbraw/zinc/04/89/65/175048965.db2.gz	MUKQQHDEPPQVCB-IZZDOVSWSA-N	-1	0	248.246	0.663	50	30		BCEARM
COc1ccc(/C=N/Nc2nc(=O)cn[n-]2)cc1	ZINC000003901911	175049120	/nfs/dbraw/zinc/04/91/20/175049120.db2.gz	XPUNSDGHRHAXIR-WUXMJOGZSA-N	-1	0	245.242	0.620	50	30		BCEARM
O=C(C=N[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000254595273	526319578	/nfs/dbraw/zinc/31/95/78/526319578.db2.gz	XWMYPUUJFYYBFL-UHFFFAOYSA-N	-1	0	209.161	0.993	50	30		BCEARM
N#Cc1ccc(NCCS(=O)(=O)[O-])cn1	ZINC000757131928	586426367	/nfs/dbraw/zinc/42/63/67/586426367.db2.gz	AUQPVLMGKLUEFE-UHFFFAOYSA-N	-1	0	227.245	0.253	50	30		BCEARM
Cc1cc([O-])c(C(=O)/C=C/N(C)C)c(=O)o1	ZINC000100128120	178194209	/nfs/dbraw/zinc/19/42/09/178194209.db2.gz	MWWHOYAVFMXZAC-SNAWJCMRSA-N	-1	0	223.228	0.912	50	30		BCEARM
Cc1cc([O-])n(CCCO)c(=O)c1C#N	ZINC000100615061	178200288	/nfs/dbraw/zinc/20/02/88/178200288.db2.gz	GZMOOAWIQTUNFT-UHFFFAOYSA-N	-1	0	208.217	0.116	50	30		BCEARM
C/N=C1\S[C@H](C(=O)[O-])CC(=O)N1C	ZINC000018007666	187312403	/nfs/dbraw/zinc/31/24/03/187312403.db2.gz	NWIDFNCGAHZMPM-JMRMDATBSA-N	-1	0	202.235	0.021	50	30		BCEARM
C#CC[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000149824478	347524584	/nfs/dbraw/zinc/52/45/84/347524584.db2.gz	IDMCRTSWFWJFHL-NXEZZACHSA-N	-1	0	239.271	0.538	50	30		BCEARM
Cc1nc2[nH]cnn2c(=O)c1CCC#N	ZINC000009575407	180115859	/nfs/dbraw/zinc/11/58/59/180115859.db2.gz	JBVLBHFOKWROJM-UHFFFAOYSA-N	-1	0	203.205	0.595	50	30		BCEARM
Cc1nn2c(ncc(C(=O)[O-])c2C)c1C#N	ZINC000043827546	180395370	/nfs/dbraw/zinc/39/53/70/180395370.db2.gz	SXUMHGDDWYNOLB-UHFFFAOYSA-N	-1	0	216.200	0.916	50	30		BCEARM
C/C(=N/O)c1nnc2cc(C)nn2c1C	ZINC000000095453	188272780	/nfs/dbraw/zinc/27/27/80/188272780.db2.gz	UIAMYXFZJUIQJY-MLPAPPSSSA-N	-1	0	205.221	0.939	50	30		BCEARM
COc1cccc(NC(=O)/C(N)=N/O)c1	ZINC000005880460	188277458	/nfs/dbraw/zinc/27/74/58/188277458.db2.gz	MPMSYEVMLBTWKU-UHFFFAOYSA-N	-1	0	209.205	0.380	50	30		BCEARM
N#Cc1c[n-]c2ncc([N+](=O)[O-])cc2c1=O	ZINC000040434487	188292244	/nfs/dbraw/zinc/29/22/44/188292244.db2.gz	RWDPPUXFHFMJCN-UHFFFAOYSA-N	-1	0	216.156	0.703	50	30		BCEARM
[O-]N=C(c1noc(C(F)(F)F)n1)n1ccnc1	ZINC000252624536	358217360	/nfs/dbraw/zinc/21/73/60/358217360.db2.gz	PPWTTZDHOQPKBV-UHFFFAOYSA-N	-1	0	247.136	0.969	50	30		BCEARM
Fc1ccccc1CN=Nc1nnn[n-]1	ZINC000252623828	364262420	/nfs/dbraw/zinc/26/24/20/364262420.db2.gz	PAEPXVPBWZBQOF-UHFFFAOYSA-N	-1	0	206.184	0.785	50	30		BCEARM
O=C([O-])COc1ccc(C=Nn2cnnc2)cc1	ZINC000252622446	364229533	/nfs/dbraw/zinc/22/95/33/364229533.db2.gz	NVKXDMZSMOQWGE-UHFFFAOYSA-N	-1	0	246.226	0.624	50	30		BCEARM
Cc1cccc(/C=N\Nc2nc(=O)cn[n-]2)c1	ZINC000031843537	372116921	/nfs/dbraw/zinc/11/69/21/372116921.db2.gz	PMAXFDXSMFJENZ-SDQBBNPISA-N	-1	0	229.243	0.919	50	30		BCEARM
CCOC(=O)[C@@H](C#N)[N-]C(=O)C(F)(F)F	ZINC000002206317	170244837	/nfs/dbraw/zinc/24/48/37/170244837.db2.gz	ZZVJBRBCDHCNHS-SCSAIBSYSA-N	-1	0	224.138	0.120	50	30		BCEARM
O=c1cn[n-]c(N/N=C/c2cccnc2)n1	ZINC000012341121	183006480	/nfs/dbraw/zinc/00/64/80/183006480.db2.gz	FJFBKWHRIMIQKZ-VZUCSPMQSA-N	-1	0	216.204	0.006	50	30		BCEARM
Oc1ccc(CN=Nc2nnn[n-]2)cc1O	ZINC000005173615	183268244	/nfs/dbraw/zinc/26/82/44/183268244.db2.gz	SFZXYQPCWGYOAO-RUDMXATFSA-N	-1	0	220.192	0.057	50	30		BCEARM
CO/N=C(\C(=O)[O-])c1csc(NC=O)n1	ZINC000002167001	383954133	/nfs/dbraw/zinc/95/41/33/383954133.db2.gz	NRRJNSWNWIDHOX-YHYXMXQVSA-N	-1	0	229.217	0.147	50	30		BCEARM
O=C1C=C(S(=O)(=O)[O-])[C@@H]2C=CCC=C2C1=O	ZINC000100511329	384337488	/nfs/dbraw/zinc/33/74/88/384337488.db2.gz	IDDIXUIEQOQUOS-RQJHMYQMSA-N	-1	0	240.236	0.268	50	30		BCEARM
COC(=O)c1ccccc1C([O-])=C[N+](=O)[O-]	ZINC000100069997	384614461	/nfs/dbraw/zinc/61/44/61/384614461.db2.gz	BTDCXIKSCKFXTG-UHFFFAOYSA-N	-1	0	223.184	0.933	50	30		BCEARM
O=c1[nH][n-]c(-c2ccccc2)c1C=NO	ZINC000100925920	384658916	/nfs/dbraw/zinc/65/89/16/384658916.db2.gz	VSEYLRZNOIXDRI-JMUHATKESA-N	-1	0	203.201	0.597	50	30		BCEARM
C#CC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000019506706	166108849	/nfs/dbraw/zinc/10/88/49/166108849.db2.gz	UERZSBQTBIIUTQ-UHFFFAOYSA-N	-1	0	203.197	0.885	50	30		BCEARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1n[nH]cc1C#N	ZINC000071280763	168005229	/nfs/dbraw/zinc/00/52/29/168005229.db2.gz	JMVNVKUCOPGZOK-BQBZGAKWSA-N	-1	0	248.242	0.577	50	30		BCEARM
CCOC(=O)C(=CNCCC(=O)[O-])C(C)=O	ZINC000024981317	170180215	/nfs/dbraw/zinc/18/02/15/170180215.db2.gz	MJAUYXSZUTUIFI-VURMDHGXSA-N	-1	0	229.232	0.087	50	30		BCEARM
CC=C1C(=O)C(=C([O-])C(=O)OCC)C(=O)C1O	ZINC000071782967	170184058	/nfs/dbraw/zinc/18/40/58/170184058.db2.gz	WLXWXTURFDSTCC-LURJTMIESA-N	-1	0	240.211	0.109	50	30		BCEARM
CCOC(=O)c1cc(C#N)c(OCC)[n-]c1=O	ZINC000008781622	170290994	/nfs/dbraw/zinc/29/09/94/170290994.db2.gz	XHTCAKRJWTXMHI-UHFFFAOYSA-N	-1	0	236.227	0.822	50	30		BCEARM
CCOC(=O)c1cc(CC)[n-]c(=O)c1C#N	ZINC000016942899	170291775	/nfs/dbraw/zinc/29/17/75/170291775.db2.gz	NLZXUSXZGVQQLQ-UHFFFAOYSA-N	-1	0	220.228	0.986	50	30		BCEARM
CC[C@@](C)(S)[C@@H](NC(C)=O)C(=O)[O-]	ZINC000004558445	171193861	/nfs/dbraw/zinc/19/38/61/171193861.db2.gz	CQDYZFQNPRLEAK-POYBYMJQSA-N	-1	0	205.279	0.674	50	30		BCEARM
CNC(=O)C(C#N)=NNc1ccc(C(=O)[O-])cc1	ZINC000005557980	173211107	/nfs/dbraw/zinc/21/11/07/173211107.db2.gz	WPBRQKFSUNNXLE-OQLLNIDSSA-N	-1	0	246.226	0.422	50	30		BCEARM
CO/N=C(/C(=O)[O-])c1cn2cccnc2n1	ZINC000002902610	173491291	/nfs/dbraw/zinc/49/12/91/173491291.db2.gz	JQRZLDKMYXJGOV-KPKJPENVSA-N	-1	0	220.188	0.164	50	30		BCEARM
COC(=O)/C(Cc1ccc(O)cc1)=N/[O-]	ZINC000100544482	173495698	/nfs/dbraw/zinc/49/56/98/173495698.db2.gz	YPSPDGUMPSSYDS-PKNBQFBNSA-N	-1	0	209.201	0.938	50	30		BCEARM
C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000000020226	398234012	/nfs/dbraw/zinc/23/40/12/398234012.db2.gz	FAKRSMQSSFJEIM-RNFRBKRXSA-N	-1	0	217.290	0.628	50	30	in-vitro	BCEARM
N#Cc1nn(-c2ccc(Cl)cc2)c(=O)[n-]c1=O	ZINC000000169516	342678962	/nfs/dbraw/zinc/67/89/62/342678962.db2.gz	YPLNUPQUGLQZPI-UHFFFAOYSA-N	-1	0	248.629	0.446	50	30		BCEARM
O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000001669713	342707896	/nfs/dbraw/zinc/70/78/96/342707896.db2.gz	PZTGRDMCBZUJDL-UHFFFAOYSA-N	-1	0	238.220	0.681	50	30	in-vitro	BCEARM
COC(=O)[C@H](CS)[N-]C(=O)C(F)(F)F	ZINC000004352767	342747101	/nfs/dbraw/zinc/74/71/01/342747101.db2.gz	VWGSQMAKRLENER-VKHMYHEASA-N	-1	0	231.195	0.136	50	30		BCEARM
C=C(C)C(=O)OCCCS(=O)(=O)[O-]	ZINC000002539304	342723284	/nfs/dbraw/zinc/72/32/84/342723284.db2.gz	KFNGWPXYNSJXOP-UHFFFAOYSA-N	-1	0	208.235	0.384	50	30		BCEARM
COC(=O)C([O-])=C(C#N)c1ccccn1	ZINC000012572028	398311530	/nfs/dbraw/zinc/31/15/30/398311530.db2.gz	WQYJMLLNWWBWQT-ZETCQYMHSA-N	-1	0	204.185	0.431	50	30		BCEARM
O=c1[nH]cc(N=Cc2ccccc2O)c(=O)[nH]1	ZINC000017001466	342918860	/nfs/dbraw/zinc/91/88/60/342918860.db2.gz	NUHGUNMMYBNXAG-LFYBBSHMSA-N	-1	0	231.211	0.519	50	30		BCEARM
Cc1ccccc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000016362853	179295927	/nfs/dbraw/zinc/29/59/27/179295927.db2.gz	NPDMWKWHMABPQK-UHFFFAOYSA-N	-1	0	246.226	0.969	50	30		BCEARM
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002379438	187926957	/nfs/dbraw/zinc/92/69/57/187926957.db2.gz	AMKHAJIFPHJYMH-ZETCQYMHSA-N	-1	0	213.233	0.988	50	30		BCEARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]cc1C#N	ZINC000071280765	188305440	/nfs/dbraw/zinc/30/54/40/188305440.db2.gz	JMVNVKUCOPGZOK-RQJHMYQMSA-N	-1	0	248.242	0.577	50	30		BCEARM
Fc1ccccc1CN=Nc1nnn[n-]1	ZINC000012375297	181009883	/nfs/dbraw/zinc/00/98/83/181009883.db2.gz	PAEPXVPBWZBQOF-BJMVGYQFSA-N	-1	0	206.184	0.785	50	30		BCEARM
N#CC(=C([O-])C(N)=O)c1nc2ccccc2s1	ZINC000001613799	181053988	/nfs/dbraw/zinc/05/39/88/181053988.db2.gz	INNOEYHIDDJEIZ-LURJTMIESA-N	-1	0	245.263	0.958	50	30		BCEARM
N#Cc1c2c([n-]c(=O)c1C(N)=O)CCCC2	ZINC000085409182	181079463	/nfs/dbraw/zinc/07/94/63/181079463.db2.gz	CVBUPHMHQISKPQ-UHFFFAOYSA-N	-1	0	217.228	0.224	50	30		BCEARM
N#Cc1cn(Cc2ccccc2)c(=O)[n-]c1=O	ZINC000000166402	181161483	/nfs/dbraw/zinc/16/14/83/181161483.db2.gz	CWPWTXZTZCRWLW-UHFFFAOYSA-N	-1	0	227.223	0.869	50	30		BCEARM
N#Cc1cn(C2CCCCC2)c(=O)[n-]c1=O	ZINC000000169605	181161605	/nfs/dbraw/zinc/16/16/05/181161605.db2.gz	JLSXEXIHECOGFB-UHFFFAOYSA-N	-1	0	219.244	0.913	50	30		BCEARM
N#Cc1c[n-]n2c1nc1c(c2=O)CCC1	ZINC000100224514	181165293	/nfs/dbraw/zinc/16/52/93/181165293.db2.gz	DPLYBDFIFAMLDG-UHFFFAOYSA-N	-1	0	200.201	0.383	50	30		BCEARM
N#Cc1c[n-]n2c1nc1c(c2=O)CCCC1	ZINC000100224517	181165488	/nfs/dbraw/zinc/16/54/88/181165488.db2.gz	XTTNXYOVGZYVFK-UHFFFAOYSA-N	-1	0	214.228	0.773	50	30		BCEARM
N#Cc1nccnc1SCCC(=O)[O-]	ZINC000054376810	181175192	/nfs/dbraw/zinc/17/51/92/181175192.db2.gz	ODWKPYAUDBUDSC-UHFFFAOYSA-N	-1	0	209.230	0.915	50	30		BCEARM
CO[N-]C(=O)COc1ccc(C#N)cc1	ZINC000009364070	374104641	/nfs/dbraw/zinc/10/46/41/374104641.db2.gz	XVLIZLDWSIXTKR-UHFFFAOYSA-N	-1	0	206.201	0.615	50	30		BCEARM
O=C([O-])C1=CN2CCC3=CCC=C(C1=O)[C@H]32	ZINC000012343599	182427431	/nfs/dbraw/zinc/42/74/31/182427431.db2.gz	BRELBFBIXZJBFE-WPRPVWTQSA-N	-1	0	217.224	0.724	50	30		BCEARM
O=S1(=O)NC/C(=N/[O-])c2sccc21	ZINC000030823006	182916570	/nfs/dbraw/zinc/91/65/70/182916570.db2.gz	MYAHRAJJQGKKHJ-YWEYNIOJSA-N	-1	0	218.259	0.218	50	30		BCEARM
O=c1cn[n-]c(N/N=C/c2ccccc2)n1	ZINC000003901909	183007345	/nfs/dbraw/zinc/00/73/45/183007345.db2.gz	XKPOUALMYDSBLU-IZZDOVSWSA-N	-1	0	215.216	0.611	50	30		BCEARM
Nc1nonc1/C(=N/[O-])N1CCCCC1	ZINC000100177324	383867969	/nfs/dbraw/zinc/86/79/69/383867969.db2.gz	DTLKMQXDYPYNDV-NTMALXAHSA-N	-1	0	211.225	0.274	50	30		BCEARM
Cc1nnc(=O)[nH]c1NN=C1CCCC1	ZINC000004370204	384334758	/nfs/dbraw/zinc/33/47/58/384334758.db2.gz	ZFNGKNMGSHHKKO-UHFFFAOYSA-N	-1	0	207.237	0.815	50	30		BCEARM
COC(=O)N=C([N-]C(=O)OC)NCl	ZINC000098042895	384584965	/nfs/dbraw/zinc/58/49/65/384584965.db2.gz	PCUVYBUDIWDLNI-UHFFFAOYSA-N	-1	0	209.589	0.208	50	30		BCEARM
O=C(C=C([O-])c1ccccc1)C(=O)NO	ZINC000100478093	384642728	/nfs/dbraw/zinc/64/27/28/384642728.db2.gz	DABLNUYALXTKMN-UHFFFAOYSA-N	-1	0	207.185	0.334	50	30		BCEARM
CCc1cc(=O)n2[n-]c(C)c(C#N)c2n1	ZINC000101207850	385321817	/nfs/dbraw/zinc/32/18/17/385321817.db2.gz	BEASIHRTQREINR-UHFFFAOYSA-N	-1	0	202.217	0.765	50	30	in-vitro	BCEARM
O=C([O-])C#CCN1C(=O)c2ccccc2C1=O	ZINC000000251745	386604570	/nfs/dbraw/zinc/60/45/70/386604570.db2.gz	OQFSREKFZRCBNH-UHFFFAOYSA-N	-1	0	229.191	0.371	50	30		BCEARM
Cc1cc(=O)n(C[C@H](C)O)c([O-])c1C#N	ZINC000100169159	387258861	/nfs/dbraw/zinc/25/88/61/387258861.db2.gz	NLTJXLAEWGZNOT-ZETCQYMHSA-N	-1	0	208.217	0.115	50	30		BCEARM
O=c1[n-]c(=O)c(NN=Cc2ccc(O)cc2)n[nH]1	ZINC000253531463	388610716	/nfs/dbraw/zinc/61/07/16/388610716.db2.gz	TUELOVHPLDITRC-UHFFFAOYSA-N	-1	0	247.214	0.434	50	30		BCEARM
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cc1nnn[n-]1	ZINC000067847481	398023339	/nfs/dbraw/zinc/02/33/39/398023339.db2.gz	WURJRHFUHJJBFH-NXEZZACHSA-N	-1	0	247.302	0.864	50	30		BCEARM
C=CCNC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000006440767	166379008	/nfs/dbraw/zinc/37/90/08/166379008.db2.gz	GNIYMSDHUQCLQC-JGVFFNPUSA-N	-1	0	214.265	0.971	50	30		BCEARM
C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000003661949	166387178	/nfs/dbraw/zinc/38/71/78/166387178.db2.gz	WOVNLQWKGISOPF-BDAKNGLRSA-N	-1	0	209.245	0.956	50	30		BCEARM
C=CCNC(=O)c1c(C(=O)[O-])cnn1C	ZINC000012357895	166391801	/nfs/dbraw/zinc/39/18/01/166391801.db2.gz	ILMNAJSEARBUOP-UHFFFAOYSA-N	-1	0	209.205	0.034	50	30		BCEARM
C=CCNC(=S)N/N=C(\C)C(=O)[O-]	ZINC000005183561	166395464	/nfs/dbraw/zinc/39/54/64/166395464.db2.gz	XGEXCVHOTKGTLY-WEVVVXLNSA-N	-1	0	201.251	0.097	50	30		BCEARM
CNC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)cc1	ZINC000102099361	410813661	/nfs/dbraw/zinc/81/36/61/410813661.db2.gz	UUFISFFNUSKLKV-LLVKDONJSA-N	-1	0	244.250	0.958	50	30		BCEARM
CCOC(=O)C1=C(SC)/C(=N/[O-])NC1=O	ZINC000012368266	170191693	/nfs/dbraw/zinc/19/16/93/170191693.db2.gz	IKKKBYMMFYBTGE-UHFFFAOYSA-N	-1	0	230.245	0.084	50	30		BCEARM
CNC(=O)c1n[n-]n(N=Cc2ccccc2)c1=O	ZINC000033429158	173315203	/nfs/dbraw/zinc/31/52/03/173315203.db2.gz	LELRALITFMIHLG-QPEQYQDCSA-N	-1	0	245.242	0.226	50	30		BCEARM
CNC(=S)N/N=C/c1cccc(C(=O)[O-])c1	ZINC000000361403	173315947	/nfs/dbraw/zinc/31/59/47/173315947.db2.gz	YBQAXPZIADNEME-WUXMJOGZSA-N	-1	0	237.284	0.813	50	30		BCEARM
COc1nc2c(C)cccn2c(=O)c1/C=N/[O-]	ZINC000000054020	175396840	/nfs/dbraw/zinc/39/68/40/175396840.db2.gz	JSYXVHOMJGVIDT-WUXMJOGZSA-N	-1	0	233.227	0.820	50	30		BCEARM
CC1=NNC(=O)C1=NNc1ccccc1C(=O)[O-]	ZINC000013407967	342866607	/nfs/dbraw/zinc/86/66/07/342866607.db2.gz	AITRWULZGXVGDM-UHFFFAOYSA-N	-1	0	246.226	0.658	50	30		BCEARM
N#CCS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000019426303	187252051	/nfs/dbraw/zinc/25/20/51/187252051.db2.gz	JRTIKMQMPXQCEJ-UHFFFAOYSA-N	-1	0	225.225	0.682	50	30		BCEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/n2cncn2)c1	ZINC000000248310	344660003	/nfs/dbraw/zinc/66/00/03/344660003.db2.gz	VRXXVTFAHYUQLO-NYYWCZLTSA-N	-1	0	233.187	0.774	50	30		BCEARM
C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]	ZINC000003995575	187362882	/nfs/dbraw/zinc/36/28/82/187362882.db2.gz	VLSMHEGGTFMBBZ-OOZYFLPDSA-N	-1	0	213.233	0.326	50	30	biogenic,in-man	BCEARM
C=CCN1C(=O)S[C@@H](CC(=O)[O-])C1=O	ZINC000003881077	166350322	/nfs/dbraw/zinc/35/03/22/166350322.db2.gz	PNQJWMJTSARPTQ-YFKPBYRVSA-N	-1	0	215.230	0.711	50	30		BCEARM
C=C(C)C(=O)OCC[C@@H](C(C)=O)C(=O)[O-]	ZINC000005224332	188051938	/nfs/dbraw/zinc/05/19/38/188051938.db2.gz	YUSVJLRFZYMEAO-QMMMGPOBSA-N	-1	0	214.217	0.786	50	30		BCEARM
N#CCc1ccc(NC(=O)COCC(=O)[O-])cc1	ZINC000000148564	188272772	/nfs/dbraw/zinc/27/27/72/188272772.db2.gz	RMTIFCWHYVYZHV-UHFFFAOYSA-N	-1	0	248.238	0.792	50	30		BCEARM
CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000005179119	188277611	/nfs/dbraw/zinc/27/76/11/188277611.db2.gz	SKIVFJLNDNKQPD-UHFFFAOYSA-N	-1	0	214.246	0.934	50	30	fda	BCEARM
N#CC1=C([O-])C(=O)N(C2CCCCC2)C1	ZINC000005413345	181061073	/nfs/dbraw/zinc/06/10/73/181061073.db2.gz	OBJLPMVDZIWNDR-MRVPVSSYSA-N	-1	0	206.245	0.870	50	30		BCEARM
N#C[C@H](C(=O)[O-])[C@@H]1C(=O)Nc2ccccc21	ZINC000000040238	181063112	/nfs/dbraw/zinc/06/31/12/181063112.db2.gz	DQGDHSNPSSYJGU-IONNQARKSA-N	-1	0	216.196	0.947	50	30		BCEARM
N#CC1=C([O-])C(=O)N(C2CCCCC2)C1	ZINC000002045871	181069965	/nfs/dbraw/zinc/06/99/65/181069965.db2.gz	OBJLPMVDZIWNDR-QMMMGPOBSA-N	-1	0	206.245	0.870	50	30		BCEARM
N#Cc1ccc([C@@H]2CC(C(=O)[O-])=NC(=O)N2)cc1	ZINC000005517579	181129933	/nfs/dbraw/zinc/12/99/33/181129933.db2.gz	ILMRHVOUAXJTBC-VIFPVBQESA-N	-1	0	243.222	0.881	50	30		BCEARM
N#Cc1cn(Cc2ccncc2)c(=O)[n-]c1=O	ZINC000000166296	181161162	/nfs/dbraw/zinc/16/11/62/181161162.db2.gz	XFMRRBNJTBAMOV-UHFFFAOYSA-N	-1	0	228.211	0.264	50	30		BCEARM
N=C1NNC(=N)C1=NNc1cccc(C(=O)[O-])c1	ZINC000004477404	181207941	/nfs/dbraw/zinc/20/79/41/181207941.db2.gz	OHCSBSIQHVRBGR-UHFFFAOYSA-N	-1	0	246.230	0.215	50	30		BCEARM
CC[C@](C)(S)[C@@H](NC(C)=O)C(=O)[O-]	ZINC000004558444	358307891	/nfs/dbraw/zinc/30/78/91/358307891.db2.gz	CQDYZFQNPRLEAK-XPUUQOCRSA-N	-1	0	205.279	0.674	50	30		BCEARM
CC1=NN(c2nc(C)cc(C)n2)C(=O)C1=N[O-]	ZINC000252623957	364267389	/nfs/dbraw/zinc/26/73/89/364267389.db2.gz	PCZIDOYWIUVZON-UHFFFAOYSA-N	-1	0	233.231	0.646	50	30		BCEARM
O=C(NO)c1cc(F)c(F)c([O-])c1F	ZINC000019836483	182280818	/nfs/dbraw/zinc/28/08/18/182280818.db2.gz	GHXMYYZTBMUWCD-UHFFFAOYSA-N	-1	0	207.107	0.929	50	30		BCEARM
O=C1Nc2cc3c(cc2/C1=N/[O-])OCCO3	ZINC000012504658	182822831	/nfs/dbraw/zinc/82/28/31/182822831.db2.gz	FRWLGSXBAVUPQO-UHFFFAOYSA-N	-1	0	220.184	0.588	50	30		BCEARM
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\[O-]	ZINC000005771003	182823072	/nfs/dbraw/zinc/82/30/72/182823072.db2.gz	SYXCHNVOFSUQJI-UHFFFAOYSA-N	-1	0	207.145	0.725	50	30		BCEARM
O=C1C=C(S(=O)(=O)[O-])[C@@H]2C=CCC=C2C1=O	ZINC000100511318	384337128	/nfs/dbraw/zinc/33/71/28/384337128.db2.gz	IDDIXUIEQOQUOS-RNFRBKRXSA-N	-1	0	240.236	0.268	50	30		BCEARM
CC(=O)C(=N[N-]c1[nH]cnc1[N+](=O)[O-])C(C)=O	ZINC000004477885	384375960	/nfs/dbraw/zinc/37/59/60/384375960.db2.gz	USMYGNHRNCLCGH-UHFFFAOYSA-N	-1	0	239.191	0.264	50	30		BCEARM
O=C([O-])C1=CN2CCC3=CCC=C(C1=O)[C@H]32	ZINC000018192542	384981822	/nfs/dbraw/zinc/98/18/22/384981822.db2.gz	BRELBFBIXZJBFE-SCZZXKLOSA-N	-1	0	217.224	0.724	50	30		BCEARM
COC(=O)C([O-])=C(C#N)c1ccccn1	ZINC000012572033	386511836	/nfs/dbraw/zinc/51/18/36/386511836.db2.gz	WQYJMLLNWWBWQT-SSDOTTSWSA-N	-1	0	204.185	0.431	50	30		BCEARM
CN(CCC(=O)[O-])c1cccnc1C#N	ZINC000122164890	386741296	/nfs/dbraw/zinc/74/12/96/386741296.db2.gz	LRFQDSOTHDEORN-UHFFFAOYSA-N	-1	0	205.217	0.864	50	30		BCEARM
O=C([O-])C1=CN2CCC3=CCC=C(C1=O)[C@@H]32	ZINC000226772928	387950282	/nfs/dbraw/zinc/95/02/82/387950282.db2.gz	BRELBFBIXZJBFE-PSASIEDQSA-N	-1	0	217.224	0.724	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2ccccc2)nc1=O	ZINC000008915297	388411730	/nfs/dbraw/zinc/41/17/30/388411730.db2.gz	MOQKRFZPZNKXSG-KPKJPENVSA-N	-1	0	229.243	0.919	50	30		BCEARM
C#CCn1cc(CN=c2nc(C)[n-]s2)cn1	ZINC000393801792	388596712	/nfs/dbraw/zinc/59/67/12/388596712.db2.gz	MIQFVSHEKDZMBP-UHFFFAOYSA-N	-1	0	233.300	0.710	50	30		BCEARM
C#CC(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000019437300	166108467	/nfs/dbraw/zinc/10/84/67/166108467.db2.gz	RYTDNWXQBQHPOO-UHFFFAOYSA-N	-1	0	205.169	0.662	50	30		BCEARM
C=CCN1C(=O)S[C@H](CC(=O)[O-])C1=O	ZINC000003881078	166351477	/nfs/dbraw/zinc/35/14/77/166351477.db2.gz	PNQJWMJTSARPTQ-RXMQYKEDSA-N	-1	0	215.230	0.711	50	30		BCEARM
C=CCNC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000006256064	166380181	/nfs/dbraw/zinc/38/01/81/166380181.db2.gz	DJPGIIHWHQQUIA-MRVPVSSYSA-N	-1	0	214.265	0.971	50	30		BCEARM
C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000001604367	166390933	/nfs/dbraw/zinc/39/09/33/166390933.db2.gz	WOVNLQWKGISOPF-IUCAKERBSA-N	-1	0	209.245	0.956	50	30		BCEARM
CCc1ccc(C([O-])=C(C#N)C(=O)NC)o1	ZINC000103508212	410901026	/nfs/dbraw/zinc/90/10/26/410901026.db2.gz	YCQJUJJNOOLJJC-MRVPVSSYSA-N	-1	0	220.228	0.910	50	30		BCEARM
N#Cc1c(=O)[n-]c(=O)[nH]c1Nc1cccnc1	ZINC000046088732	411153176	/nfs/dbraw/zinc/15/31/76/411153176.db2.gz	MHRTUGQHQAQEMA-UHFFFAOYSA-N	-1	0	229.199	0.486	50	30		BCEARM
CNC(=O)c1n[n-]n(N=Cc2ccccc2)c1=O	ZINC000006002783	173315126	/nfs/dbraw/zinc/31/51/26/173315126.db2.gz	LELRALITFMIHLG-NTUHNPAUSA-N	-1	0	245.242	0.226	50	30		BCEARM
COc1ccc(CN=Nc2nnn[n-]2)c(OC)c1	ZINC000004065887	175048780	/nfs/dbraw/zinc/04/87/80/175048780.db2.gz	YRFMUIDXSBROJZ-IZZDOVSWSA-N	-1	0	248.246	0.663	50	30		BCEARM
C[C@H](c1ccc(C#N)c(=O)[n-]1)n1cncn1	ZINC000008873756	177031643	/nfs/dbraw/zinc/03/16/43/177031643.db2.gz	QXWKNKVVJOEREK-SSDOTTSWSA-N	-1	0	215.216	0.860	50	30		BCEARM
CCOC(=O)/C=C/C(=N[O-])C(=O)OCC	ZINC000252605638	520401085	/nfs/dbraw/zinc/40/10/85/520401085.db2.gz	GLBWGBBRYJWTFT-FEGZXCSJSA-N	-1	0	215.205	0.499	50	30		BCEARM
CON=C(C(=O)[O-])c1csc(N)n1	ZINC000242574940	523304109	/nfs/dbraw/zinc/30/41/09/523304109.db2.gz	NLARCUDOUOQRPB-UHFFFAOYSA-N	-1	0	201.207	0.160	50	30		BCEARM
COCc1cc(C)nc(OCC(=O)[O-])c1C#N	ZINC000004413895	342747741	/nfs/dbraw/zinc/74/77/41/342747741.db2.gz	VYDSZOKEUUDMPG-UHFFFAOYSA-N	-1	0	236.227	0.872	50	30		BCEARM
CCN(CC)C(=O)C(=N/[O-])/C(C)=N\O	ZINC000005452749	342764128	/nfs/dbraw/zinc/76/41/28/342764128.db2.gz	CAVAUTRSGBHTQX-PCCLLEMOSA-N	-1	0	201.226	0.535	50	30		BCEARM
CNC(N)=NC(=O)c1cc(Cl)ccc1[O-]	ZINC000015988089	342904418	/nfs/dbraw/zinc/90/44/18/342904418.db2.gz	TWPWRNGGCXPMDB-UHFFFAOYSA-N	-1	0	227.651	0.720	50	30		BCEARM
CCc1c(C)nc2c(C#N)c[n-]n2c1=O	ZINC000100257937	398333782	/nfs/dbraw/zinc/33/37/82/398333782.db2.gz	AEGZTINJBDVGEP-UHFFFAOYSA-N	-1	0	202.217	0.765	50	30		BCEARM
O=C([O-])c1cccc2c1N/C(=N/O)C2=O	ZINC000024716960	343075928	/nfs/dbraw/zinc/07/59/28/343075928.db2.gz	ZKMKIGUBXZLREG-UHFFFAOYSA-N	-1	0	206.157	0.781	50	30		BCEARM
CC(C)(C)OC(=O)N[C@H](CS)C(=O)[O-]	ZINC000002547834	187245771	/nfs/dbraw/zinc/24/57/71/187245771.db2.gz	ATVFTGTXIUDKIZ-RXMQYKEDSA-N	-1	0	221.278	0.894	50	30		BCEARM
C/C(=N\NC(N)=S)c1ccccc1O	ZINC000017106261	187251732	/nfs/dbraw/zinc/25/17/32/187251732.db2.gz	LXYOGTSBYWAKMS-IZZDOVSWSA-N	-1	0	209.274	0.949	50	30		BCEARM
Cc1cccc(-n2cc(C#N)c(=O)[n-]c2=O)n1	ZINC000000481064	179000072	/nfs/dbraw/zinc/00/00/72/179000072.db2.gz	YYHFNFNKVFBFKM-UHFFFAOYSA-N	-1	0	228.211	0.513	50	30		BCEARM
CC[C@](C)(S)[C@H](NC(C)=O)C(=O)[O-]	ZINC000000394291	346416516	/nfs/dbraw/zinc/41/65/16/346416516.db2.gz	CQDYZFQNPRLEAK-SVRRBLITSA-N	-1	0	205.279	0.674	50	30		BCEARM
COc1ccc(C(=O)C(=O)[O-])cc1C#N	ZINC000725262048	538087912	/nfs/dbraw/zinc/08/79/12/538087912.db2.gz	SZKMEKAIFLYYJA-UHFFFAOYSA-N	-1	0	205.169	0.834	50	30		BCEARM
Cc1[n-]n2c(nc3c(c2=O)CCC3)c1C#N	ZINC000100630225	180393548	/nfs/dbraw/zinc/39/35/48/180393548.db2.gz	XDJJRVBOJLDNPB-UHFFFAOYSA-N	-1	0	214.228	0.691	50	30		BCEARM
O=[N+]([O-])c1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000003897269	351473466	/nfs/dbraw/zinc/47/34/66/351473466.db2.gz	NJRKWLITLCSKER-WEVVVXLNSA-N	-1	0	233.191	0.554	50	30		BCEARM
N#C[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc2ccccc21	ZINC000000040236	181054568	/nfs/dbraw/zinc/05/45/68/181054568.db2.gz	DQGDHSNPSSYJGU-VXNVDRBHSA-N	-1	0	216.196	0.947	50	30		BCEARM
N#Cc1c(=O)[n-]c(=O)n2c1CCCCC2	ZINC000003252099	181079422	/nfs/dbraw/zinc/07/94/22/181079422.db2.gz	MIPPRFOEQWKOCW-UHFFFAOYSA-N	-1	0	205.217	0.135	50	30		BCEARM
N#Cc1ccc(NC(=O)COCC(=O)[O-])cc1	ZINC000000151606	181117951	/nfs/dbraw/zinc/11/79/51/181117951.db2.gz	IOKKQSYDSKTZRW-UHFFFAOYSA-N	-1	0	234.211	0.598	50	30		BCEARM
N#Cc1nc(NC(=O)c2ccoc2)[n-]c1C#N	ZINC000026269953	181168770	/nfs/dbraw/zinc/16/87/70/181168770.db2.gz	XXMJXQIUUOFXPD-UHFFFAOYSA-N	-1	0	227.183	0.998	50	30		BCEARM
N=c1[nH][nH]c(N)c1N=Nc1ccccc1C(=O)[O-]	ZINC000004477407	181207191	/nfs/dbraw/zinc/20/71/91/181207191.db2.gz	KOPFKAZIDASMQL-UHFFFAOYSA-N	-1	0	246.230	0.215	50	30		BCEARM
CCOC(=O)C(=N[O-])c1c(C)nn(C)c1C	ZINC000253370866	368941582	/nfs/dbraw/zinc/94/15/82/368941582.db2.gz	XKAXFWNCAMMSEV-UHFFFAOYSA-N	-1	0	225.248	0.778	50	30		BCEARM
N#Cc1ccc(N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000019867246	371195179	/nfs/dbraw/zinc/19/51/79/371195179.db2.gz	JTUMMXIPTKTCHV-QWRGUYRKSA-N	-1	0	232.239	0.582	50	30		BCEARM
O=[N+]([O-])c1ccc(CN=Nc2nnn[n-]2)s1	ZINC000004806708	182928110	/nfs/dbraw/zinc/92/81/10/182928110.db2.gz	WRGCFBVPJYKTNH-XVNBXDOJSA-N	-1	0	239.220	0.615	50	30		BCEARM
O=c1cn[n-]c(N/N=C/c2ccco2)n1	ZINC000004158475	183006358	/nfs/dbraw/zinc/00/63/58/183006358.db2.gz	RAIDPICJFASLOQ-RUDMXATFSA-N	-1	0	205.177	0.204	50	30		BCEARM
O=C([O-])CN1CCC[C@H](CS)C1=O	ZINC000005134411	384099558	/nfs/dbraw/zinc/09/95/58/384099558.db2.gz	YQRNEFFCJKUMIN-ZCFIWIBFSA-N	-1	0	203.263	0.239	50	30		BCEARM
CC(C)(C)OC(=O)N1CC(C#N)(C(=O)[O-])C1	ZINC000095630139	384385549	/nfs/dbraw/zinc/38/55/49/384385549.db2.gz	XZXUUIMQZYMXJT-UHFFFAOYSA-N	-1	0	226.232	0.832	50	30		BCEARM
O=CC(=CO)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000100000513	384606814	/nfs/dbraw/zinc/60/68/14/384606814.db2.gz	WHFZKCYOFGVOLR-UHFFFAOYSA-N	-1	0	237.167	0.774	50	30		BCEARM
O=CC(=CO)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000100000507	384607120	/nfs/dbraw/zinc/60/71/20/384607120.db2.gz	VFPWGRRTVZRIRQ-UHFFFAOYSA-N	-1	0	237.167	0.774	50	30		BCEARM
O=C([O-])[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000082067922	384644403	/nfs/dbraw/zinc/64/44/03/384644403.db2.gz	GNIDSOFZAKMQAO-SECBINFHSA-N	-1	0	239.227	0.563	50	30		BCEARM
CCCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000101208413	384810812	/nfs/dbraw/zinc/81/08/12/384810812.db2.gz	IMAKXESOJBNGJR-UHFFFAOYSA-N	-1	0	202.217	0.847	50	30		BCEARM
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1[O-]	ZINC000005583015	385197948	/nfs/dbraw/zinc/19/79/48/385197948.db2.gz	MKACMVMZUIQKNY-UHFFFAOYSA-N	-1	0	208.129	0.580	50	30		BCEARM
Oc1ccc(C=NN2CCOCC2)c(O)c1O	ZINC000254870220	385698759	/nfs/dbraw/zinc/69/87/59/385698759.db2.gz	QMKCXPQTYPNSFR-UHFFFAOYSA-N	-1	0	238.243	0.470	50	30		BCEARM
CCc1c(C)[nH]c(=O)c(C(=O)[O-])c1C#N	ZINC000078550013	388682400	/nfs/dbraw/zinc/68/24/00/388682400.db2.gz	KESGYPIMWWYNKM-UHFFFAOYSA-N	-1	0	206.201	0.816	50	30		BCEARM
N#Cc1cccc(-n2ccc(=O)c(C(=O)[O-])n2)c1	ZINC000067172488	388693993	/nfs/dbraw/zinc/69/39/93/388693993.db2.gz	VMFJQUPLIGCOPQ-UHFFFAOYSA-N	-1	0	241.206	0.802	50	30		BCEARM
Cc1nsc(N(C)CC(=O)[O-])c1C#N	ZINC000263404847	135352036	/nfs/dbraw/zinc/35/20/36/135352036.db2.gz	KEJMLMATSUENJA-UHFFFAOYSA-N	-1	0	211.246	0.844	50	30		BCEARM
c1cc(CN=Nc2nnn[n-]2)cc2c1OCO2	ZINC000004996148	166229841	/nfs/dbraw/zinc/22/98/41/166229841.db2.gz	OOCUUFTWZQLWKW-ONNFQVAWSA-N	-1	0	232.203	0.374	50	30		BCEARM
C=CCNC(=O)c1nc(C(=O)[O-])cs1	ZINC000057218592	166395346	/nfs/dbraw/zinc/39/53/46/166395346.db2.gz	XHFTZXACCMHJII-UHFFFAOYSA-N	-1	0	212.230	0.757	50	30		BCEARM
CC[C@@](C)(S)[C@H](NC(C)=O)C(=O)[O-]	ZINC000004558443	171193540	/nfs/dbraw/zinc/19/35/40/171193540.db2.gz	CQDYZFQNPRLEAK-HTRCEHHLSA-N	-1	0	205.279	0.674	50	30		BCEARM
COc1cccc(N=Nc2c(N)[nH][n-]c2=O)c1	ZINC000025180930	175274849	/nfs/dbraw/zinc/27/48/49/175274849.db2.gz	WLVLTBIAJVPSHI-TVNQGELYSA-N	-1	0	233.231	0.740	50	30		BCEARM
C[C@@](O)(CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000130338998	176519807	/nfs/dbraw/zinc/51/98/07/176519807.db2.gz	JPELEGKPKPOENF-LLVKDONJSA-N	-1	0	220.228	0.806	50	30		BCEARM
N#Cc1cc(F)ccc1NCCc1n[nH]c(=O)[n-]1	ZINC000081008090	488204441	/nfs/dbraw/zinc/20/44/41/488204441.db2.gz	MMGHDQPCPALQMK-UHFFFAOYSA-N	-1	0	247.233	0.763	50	30		BCEARM
O=C([O-])c1c(O)coc1Nc1ccccc1	ZINC000000024762	491083763	/nfs/dbraw/zinc/08/37/63/491083763.db2.gz	TWMQSQKWJTXETM-UHFFFAOYSA-N	-1	0	219.196	0.994	50	30		BCEARM
O=C([O-])/C(=N\[O-])c1cn2ccccc2[nH+]1	ZINC000004955786	635170015	/nfs/dbraw/zinc/17/00/15/635170015.db2.gz	UZRRSNNNAOQSPU-FLIBITNWSA-N	-1	0	205.173	0.597	50	30		BCEARM
CC(C)(C)OC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000004521267	342748545	/nfs/dbraw/zinc/74/85/45/342748545.db2.gz	ATVFTGTXIUDKIZ-YFKPBYRVSA-N	-1	0	221.278	0.894	50	30		BCEARM
COC(=O)[C@@H](/C=N/[O-])NC(=O)c1ccccc1	ZINC000013142424	342863921	/nfs/dbraw/zinc/86/39/21/342863921.db2.gz	HLBKBLJYUKQKNZ-SZJBZFAYSA-N	-1	0	236.227	0.418	50	30		BCEARM
N#CCS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000019518506	187252598	/nfs/dbraw/zinc/25/25/98/187252598.db2.gz	IVXJYJZFHMSMGZ-UHFFFAOYSA-N	-1	0	225.225	0.682	50	30		BCEARM
C/C(=N/O)C(C)(C)N(C)C/C(C#N)=N\[O-]	ZINC000103542011	187291287	/nfs/dbraw/zinc/29/12/87/187291287.db2.gz	YUDPCTHCHHJVJG-OXAWKVHCSA-N	-1	0	212.253	0.901	50	30		BCEARM
C#CC[C@@H](NC(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000149824140	347525067	/nfs/dbraw/zinc/52/50/67/347525067.db2.gz	IDMCRTSWFWJFHL-VHSXEESVSA-N	-1	0	239.271	0.538	50	30		BCEARM
CC(=O)n1[n-]c(N)c(N=Nc2ccccc2)c1=N	ZINC000005830701	351233407	/nfs/dbraw/zinc/23/34/07/351233407.db2.gz	OLQADEBJBVSLTM-PSCQUPJWSA-N	-1	0	244.258	0.776	50	30		BCEARM
CC#CCS(=O)(=O)[N-]C(=O)C(C)C	ZINC000225525317	188329749	/nfs/dbraw/zinc/32/97/49/188329749.db2.gz	OIMWGDFVVUASCO-UHFFFAOYSA-N	-1	0	203.263	0.112	50	30		BCEARM
N#C/C(=N/[O-])C(=O)NC(=O)c1ccccc1	ZINC000004472618	181025359	/nfs/dbraw/zinc/02/53/59/181025359.db2.gz	JTWOOTIYUDKFJJ-JYRVWZFOSA-N	-1	0	217.184	0.297	50	30		BCEARM
N#Cc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000022211402	181099282	/nfs/dbraw/zinc/09/92/82/181099282.db2.gz	QWURZCQBKCZXAK-UHFFFAOYSA-N	-1	0	204.185	0.373	50	30		BCEARM
N#Cc1cn(OCc2ccccc2)c(=O)[n-]c1=O	ZINC000000338796	181161174	/nfs/dbraw/zinc/16/11/74/181161174.db2.gz	UOHHLVIQFQTRMZ-UHFFFAOYSA-N	-1	0	243.222	0.449	50	30		BCEARM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000012504803	355839362	/nfs/dbraw/zinc/83/93/62/355839362.db2.gz	JLYMDTVAWSENHL-UHFFFAOYSA-N	-1	0	239.252	0.296	50	30		BCEARM
Cc1occc1C([O-])=C(C#N)S(C)(=O)=O	ZINC000088300620	538571681	/nfs/dbraw/zinc/57/16/81/538571681.db2.gz	IFTORICSFBVNMX-MRVPVSSYSA-N	-1	0	227.241	0.708	50	30		BCEARM
CS(=O)(=O)C(C#N)=C([O-])c1ccco1	ZINC000088300600	538571978	/nfs/dbraw/zinc/57/19/78/538571978.db2.gz	MFDVKJCTNRJCIC-ZETCQYMHSA-N	-1	0	213.214	0.399	50	30		BCEARM
CCCc1[nH]c(=O)c(C#N)cc1C(=O)[O-]	ZINC000015830032	538878207	/nfs/dbraw/zinc/87/82/07/538878207.db2.gz	BMOGAMINAIGDLP-UHFFFAOYSA-N	-1	0	206.201	0.897	50	30		BCEARM
CCOc1cc(O)ccc1CN=Nc1nnn[n-]1	ZINC000252610066	364016351	/nfs/dbraw/zinc/01/63/51/364016351.db2.gz	HYVIVNWOFRGYLV-UHFFFAOYSA-N	-1	0	248.246	0.750	50	30		BCEARM
O=C(C/C(=N/[O-])C(=O)NO)c1ccccc1O	ZINC000104238297	182279784	/nfs/dbraw/zinc/27/97/84/182279784.db2.gz	RGBIMROYOCKPCU-XFFZJAGNSA-N	-1	0	238.199	0.301	50	30		BCEARM
C[C@]12CCCC[C@@H]1N(O)C(=O)C(=O)N2O	ZINC000003876705	384031775	/nfs/dbraw/zinc/03/17/75/384031775.db2.gz	RGABPWWTSWRCKN-RCOVLWMOSA-N	-1	0	214.221	0.137	50	30		BCEARM
CC/C(C)=N/N=C1\NC(=O)[C@@H](CC(=O)[O-])S1	ZINC000005482077	384119130	/nfs/dbraw/zinc/11/91/30/384119130.db2.gz	DFIQZUIFUUDGGC-VUSGQZFOSA-N	-1	0	243.288	0.835	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2ccco2)nc1=O	ZINC000012276050	384309132	/nfs/dbraw/zinc/30/91/32/384309132.db2.gz	YRDHXDAJKWXSFF-BJMVGYQFSA-N	-1	0	219.204	0.512	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2cccnc2)nc1=O	ZINC000003945109	386209312	/nfs/dbraw/zinc/20/93/12/386209312.db2.gz	RSUOVGOSFPLESN-WUXMJOGZSA-N	-1	0	230.231	0.314	50	30		BCEARM
CC(=N/O)/C(=N\[O-])C(=N/O)/C(C)=N\O	ZINC000100838367	387473028	/nfs/dbraw/zinc/47/30/28/387473028.db2.gz	OXXDUKPWJDYWIP-HWAKKXLNSA-N	-1	0	202.170	0.347	50	30		BCEARM
C=CCN(CC(=O)[O-])C(=O)c1cscn1	ZINC000086137960	166325903	/nfs/dbraw/zinc/32/59/03/166325903.db2.gz	FQGZFXIVDUNARQ-UHFFFAOYSA-N	-1	0	226.257	0.856	50	30		BCEARM
C=CCN(CC(=O)[O-])C(=O)c1ccncc1	ZINC000086138062	166325906	/nfs/dbraw/zinc/32/59/06/166325906.db2.gz	GTTPJVWHMJRIBB-UHFFFAOYSA-N	-1	0	220.228	0.794	50	30		BCEARM
C=CCN1C(=O)[C@H](CCC(=O)[O-])NC1=S	ZINC000004298421	166350778	/nfs/dbraw/zinc/35/07/78/166350778.db2.gz	RHUKJPGKFXOINC-LURJTMIESA-N	-1	0	228.273	0.123	50	30		BCEARM
C=CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000006440739	166380874	/nfs/dbraw/zinc/38/08/74/166380874.db2.gz	GNIYMSDHUQCLQC-YUMQZZPRSA-N	-1	0	214.265	0.971	50	30		BCEARM
COc1ccccc1NC(=O)/C(C#N)=N\[O-]	ZINC000101390786	410768693	/nfs/dbraw/zinc/76/86/93/410768693.db2.gz	RVMXVJZUPFZFMM-JYRVWZFOSA-N	-1	0	219.200	0.987	50	30		BCEARM
CN1c2ccc([N+](=O)[O-])cc2/C(=N/[O-])C1=O	ZINC000101018237	172957660	/nfs/dbraw/zinc/95/76/60/172957660.db2.gz	IWWUOZUREHIHNR-NTMALXAHSA-N	-1	0	221.172	0.750	50	30		BCEARM
COc1ccc(N=Nc2c(C)[n-][nH]c2=O)cc1	ZINC000096282149	175138701	/nfs/dbraw/zinc/13/87/01/175138701.db2.gz	BSZXMIADPCOPJL-UHFFFAOYSA-N	-1	0	232.243	0.969	50	30		BCEARM
COc1ccc2c(c1)/C(=N\[O-])C(=O)N2C	ZINC000013110449	175206089	/nfs/dbraw/zinc/20/60/89/175206089.db2.gz	LNBMXSKDJCUCIS-PKNBQFBNSA-N	-1	0	206.201	0.850	50	30		BCEARM
COc1cccc(N=Nc2c(N)[nH][n-]c2=O)c1	ZINC000025180921	175274873	/nfs/dbraw/zinc/27/48/73/175274873.db2.gz	WLVLTBIAJVPSHI-ITTMYVLYSA-N	-1	0	233.231	0.740	50	30		BCEARM
COc1ccccc1CN=Nc1nnn[n-]1	ZINC000004321539	175315258	/nfs/dbraw/zinc/31/52/58/175315258.db2.gz	ROJUZGLCJJZQBO-UXBLZVDNSA-N	-1	0	218.220	0.654	50	30		BCEARM
C[C@@](O)(CNc1cccc(F)c1C#N)C(=O)[O-]	ZINC000228637637	176519768	/nfs/dbraw/zinc/51/97/68/176519768.db2.gz	UMGMGGDLYBCEQR-LLVKDONJSA-N	-1	0	238.218	0.945	50	30		BCEARM
O=Cc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000242687860	527148080	/nfs/dbraw/zinc/14/80/80/527148080.db2.gz	UYHBMZCASXEYQL-UHFFFAOYSA-N	-1	0	216.204	0.458	50	30		BCEARM
C#CCC(=O)Nc1ncc(C(=O)[O-])s1	ZINC000719939071	566282060	/nfs/dbraw/zinc/28/20/60/566282060.db2.gz	QVKCLOUBBYKEMU-UHFFFAOYSA-N	-1	0	210.214	0.803	50	30		BCEARM
Cc1cc([O-])n(C[C@@H](C)O)c(=O)c1C#N	ZINC000001425842	178200488	/nfs/dbraw/zinc/20/04/88/178200488.db2.gz	JOJBQCMKODUKIZ-SSDOTTSWSA-N	-1	0	208.217	0.115	50	30		BCEARM
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)[O-]	ZINC000002560852	342724315	/nfs/dbraw/zinc/72/43/15/342724315.db2.gz	IVKMLPKBZQTAMQ-LURJTMIESA-N	-1	0	214.221	0.878	50	30		BCEARM
Cc1cc(C)n(CC(=O)[O-])c(=O)c1C#N	ZINC000005001096	342756193	/nfs/dbraw/zinc/75/61/93/342756193.db2.gz	YULVOEPADNJSMK-UHFFFAOYSA-N	-1	0	206.201	0.421	50	30		BCEARM
CN(C)c1ccc(C=[NH+][N-]c2nnn[n-]2)cc1	ZINC000006180653	342774868	/nfs/dbraw/zinc/77/48/68/342774868.db2.gz	VGXJMBOWJUVGBN-YRNVUSSQSA-N	-1	0	231.263	0.712	50	30		BCEARM
C=CCn1c(=O)[nH]c([O-])c(C(=O)CC)c1=O	ZINC000009190170	187249279	/nfs/dbraw/zinc/24/92/79/187249279.db2.gz	GQXQVGFEMFHBEA-UHFFFAOYSA-N	-1	0	224.216	0.021	50	30		BCEARM
CC(=O)C(=NNc1cc(C)ccc1O)C(N)=O	ZINC000018284093	187251694	/nfs/dbraw/zinc/25/16/94/187251694.db2.gz	GQFPZXWRZFEBOU-UVTDQMKNSA-N	-1	0	235.243	0.543	50	30		BCEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/n2cnnc2)c1	ZINC000038168835	343372183	/nfs/dbraw/zinc/37/21/83/343372183.db2.gz	XLWQINDECVZCLQ-UUILKARUSA-N	-1	0	233.187	0.774	50	30		BCEARM
C/N=C1/S[C@H](C(=O)[O-])CC(=O)N1C	ZINC000085658196	187285377	/nfs/dbraw/zinc/28/53/77/187285377.db2.gz	NWIDFNCGAHZMPM-OWRQZNHBSA-N	-1	0	202.235	0.021	50	30		BCEARM
NC(=O)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000014492434	344418916	/nfs/dbraw/zinc/41/89/16/344418916.db2.gz	GKHXYPSPBQDXQZ-UHFFFAOYSA-N	-1	0	217.180	0.363	50	30		BCEARM
NS(=O)(=O)c1sccc1/C=N/[O-]	ZINC000106306146	344473968	/nfs/dbraw/zinc/47/39/68/344473968.db2.gz	WAXNGZYUHUBECT-XVNBXDOJSA-N	-1	0	206.248	0.204	50	30		BCEARM
C#CCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000004218147	187363504	/nfs/dbraw/zinc/36/35/04/187363504.db2.gz	JXDOWVPMLOMFRR-UHFFFAOYSA-N	-1	0	239.252	0.296	50	30		BCEARM
O=C([O-])c1ccccc1/C=N/n1cnnc1	ZINC000000480103	346652560	/nfs/dbraw/zinc/65/25/60/346652560.db2.gz	CVZCGCSYDJLCKQ-WLRTZDKTSA-N	-1	0	216.200	0.859	50	30		BCEARM
C#CC[C@H](NC(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000149823916	347525064	/nfs/dbraw/zinc/52/50/64/347525064.db2.gz	IDMCRTSWFWJFHL-UWVGGRQHSA-N	-1	0	239.271	0.538	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2ccccn2)nc1=O	ZINC000015923615	179835301	/nfs/dbraw/zinc/83/53/01/179835301.db2.gz	VBSLAWZEMACWRT-WUXMJOGZSA-N	-1	0	230.231	0.314	50	30		BCEARM
CCCCCCn1cc(C#N)c(=O)[n-]c1=O	ZINC000002178878	168681297	/nfs/dbraw/zinc/68/12/97/168681297.db2.gz	WBTJZGJAMQADTJ-UHFFFAOYSA-N	-1	0	221.260	0.989	50	30		BCEARM
N#Cc1c[n-]c(=O)c(I)c1	ZINC000029753704	181079473	/nfs/dbraw/zinc/07/94/73/181079473.db2.gz	DULWGPPUDDROTD-UHFFFAOYSA-N	-1	0	246.007	0.851	50	30		BCEARM
N#Cc1cc(NCC(=O)[O-])c([N+](=O)[O-])cc1C#N	ZINC000004819513	181091022	/nfs/dbraw/zinc/09/10/22/181091022.db2.gz	XLCVBUSMYHEGFI-UHFFFAOYSA-N	-1	0	246.182	0.835	50	30		BCEARM
N#Cc1c[n-]n2c1nc1c(c2=O)CCC1	ZINC000013571137	181165711	/nfs/dbraw/zinc/16/57/11/181165711.db2.gz	ISUATLUMWZKRKJ-UHFFFAOYSA-N	-1	0	200.201	0.795	50	30		BCEARM
CS(=O)(=O)C(C#N)=C([O-])c1ccco1	ZINC000088300601	538573081	/nfs/dbraw/zinc/57/30/81/538573081.db2.gz	MFDVKJCTNRJCIC-SSDOTTSWSA-N	-1	0	213.214	0.399	50	30		BCEARM
O=C1CSC(=NN=Cc2ccco2)N1	ZINC000252625131	364308246	/nfs/dbraw/zinc/30/82/46/364308246.db2.gz	QDZWHNCXVHRCKP-UHFFFAOYSA-N	-1	0	209.230	0.833	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@H]2[C@H]1C(=O)C=C[C@H]2O	ZINC000100855064	368419566	/nfs/dbraw/zinc/41/95/66/368419566.db2.gz	IZTKKSDDRFMLJJ-FDDDBJFASA-N	-1	0	208.213	0.379	50	30		BCEARM
O=c1cnnc(NN=Cc2ccccn2)[n-]1	ZINC000018024777	183304757	/nfs/dbraw/zinc/30/47/57/183304757.db2.gz	MWIFRGUKPXHEAT-VZUCSPMQSA-N	-1	0	216.204	0.418	50	30		BCEARM
Cc1ccc(S(=O)(=O)N/N=C/C(=O)[O-])cc1	ZINC000000133345	383829539	/nfs/dbraw/zinc/82/95/39/383829539.db2.gz	TUYHVIQNWSSXND-UXBLZVDNSA-N	-1	0	242.256	0.344	50	30		BCEARM
CN(C)S(=O)(=O)c1ccccc1/C=N/[O-]	ZINC000100257790	384294216	/nfs/dbraw/zinc/29/42/16/384294216.db2.gz	RGDOFHHIGQQEJG-JXMROGBWSA-N	-1	0	228.273	0.745	50	30		BCEARM
CN1C(=O)c2ccccc2/C(=N\[O-])C1=O	ZINC000100261875	384628472	/nfs/dbraw/zinc/62/84/72/384628472.db2.gz	RPZWPGPAVCBEDJ-DHZHZOJOSA-N	-1	0	204.185	0.477	50	30		BCEARM
O=C([O-])[C@H](CO)NC(=O)OCc1ccccc1	ZINC000082067921	384644868	/nfs/dbraw/zinc/64/48/68/384644868.db2.gz	GNIDSOFZAKMQAO-VIFPVBQESA-N	-1	0	239.227	0.563	50	30	in-vitro	BCEARM
Cc1cc(=O)n(C[C@@H](C)O)c([O-])c1C#N	ZINC000100169158	387268666	/nfs/dbraw/zinc/26/86/66/387268666.db2.gz	NLTJXLAEWGZNOT-SSDOTTSWSA-N	-1	0	208.217	0.115	50	30		BCEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccco2)C1=O	ZINC000004728905	166350719	/nfs/dbraw/zinc/35/07/19/166350719.db2.gz	XATVXBOTVPGJPS-CLFYSBASSA-N	-1	0	246.222	0.927	50	30		BCEARM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2	ZINC000103508203	410900937	/nfs/dbraw/zinc/90/09/37/410900937.db2.gz	LRNRZMDKGLJPPA-SNVBAGLBSA-N	-1	0	244.250	0.690	50	30		BCEARM
CC=C1C(=O)C(=C([O-])C(=O)OCC)C(=O)C1O	ZINC000071782966	170184931	/nfs/dbraw/zinc/18/49/31/170184931.db2.gz	WLXWXTURFDSTCC-ZCFIWIBFSA-N	-1	0	240.211	0.109	50	30		BCEARM
CCOC(=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000017029390	170234966	/nfs/dbraw/zinc/23/49/66/170234966.db2.gz	BXPSVHWXUJVIGO-UHFFFAOYSA-N	-1	0	246.226	0.412	50	30		BCEARM
COc1ccc2c(c1)/C(=N/[O-])C(=O)N2C	ZINC000097965281	175206200	/nfs/dbraw/zinc/20/62/00/175206200.db2.gz	LNBMXSKDJCUCIS-LUAWRHEFSA-N	-1	0	206.201	0.850	50	30		BCEARM
COc1ccccc1N/C(=N\[O-])c1nonc1N	ZINC000005128554	175335999	/nfs/dbraw/zinc/33/59/99/175335999.db2.gz	WUWSOEPPVSMCFB-UHFFFAOYSA-N	-1	0	249.230	0.908	50	30		BCEARM
CCn1cc(Nc2[nH]c(=O)[n-]c(=O)c2C#N)cn1	ZINC000046089213	491079925	/nfs/dbraw/zinc/07/99/25/491079925.db2.gz	GZEJLZFMJHHBPG-UHFFFAOYSA-N	-1	0	246.230	0.307	50	30		BCEARM
COc1nc(OC)c(/C=N/[O-])c(OC)n1	ZINC000015903741	642948562	/nfs/dbraw/zinc/94/85/62/642948562.db2.gz	LEIHYTPNELUSJC-RUDMXATFSA-N	-1	0	213.193	0.311	50	30		BCEARM
COc1cc(CN=Nc2nnn[n-]2)ccc1O	ZINC000003898314	342739322	/nfs/dbraw/zinc/73/93/22/342739322.db2.gz	IDKSJLYWWUTXDS-BJMVGYQFSA-N	-1	0	234.219	0.360	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2ccc(O)cc2)nc1=O	ZINC000008871652	179835858	/nfs/dbraw/zinc/83/58/58/179835858.db2.gz	NZVGVOONMDMISD-WUXMJOGZSA-N	-1	0	245.242	0.625	50	30		BCEARM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)[O-]	ZINC000003888419	351425574	/nfs/dbraw/zinc/42/55/74/351425574.db2.gz	AQMFLDRLLHUMCS-UHFFFAOYSA-N	-1	0	220.228	0.881	50	30		BCEARM
N#CCOc1ccccc1P(=O)([O-])[O-]	ZINC000009418958	181044098	/nfs/dbraw/zinc/04/40/98/181044098.db2.gz	PGCYHXQVNNACMA-UHFFFAOYSA-N	-1	0	213.129	0.392	50	30		BCEARM
N#C[C@H](C(=O)[O-])[C@H]1C(=O)Nc2ccccc21	ZINC000019142618	181062470	/nfs/dbraw/zinc/06/24/70/181062470.db2.gz	DQGDHSNPSSYJGU-CBAPKCEASA-N	-1	0	216.196	0.947	50	30		BCEARM
N#Cc1nc(/N=N/N2CCOCC2)[n-]c1C#N	ZINC000001414514	181167284	/nfs/dbraw/zinc/16/72/84/181167284.db2.gz	OIWLLTAVZVIVIV-CCEZHUSRSA-N	-1	0	231.219	0.484	50	30		BCEARM
CS(=O)(=O)C(C#N)=C([O-])c1ccccc1	ZINC000088300607	538572942	/nfs/dbraw/zinc/57/29/42/538572942.db2.gz	MLBMAYFXFKOSAR-VIFPVBQESA-N	-1	0	223.253	0.806	50	30		BCEARM
CC(=O)/C(=N\[O-])C(=O)N1CCCCCC1	ZINC000005377924	360488397	/nfs/dbraw/zinc/48/83/97/360488397.db2.gz	WJHZMSXDQNZVEQ-PKNBQFBNSA-N	-1	0	212.249	0.808	50	30		BCEARM
CCc1c(C#N)c(=O)[n-]c(=O)n1-c1ccccc1	ZINC000000481057	369395679	/nfs/dbraw/zinc/39/56/79/369395679.db2.gz	PFNOXEMNKQONNM-UHFFFAOYSA-N	-1	0	241.250	0.960	50	30		BCEARM
Oc1ccc(CN=Nc2nnn[n-]2)c(O)c1	ZINC000004065898	183267068	/nfs/dbraw/zinc/26/70/68/183267068.db2.gz	UNZIYGQISYJOHZ-RUDMXATFSA-N	-1	0	220.192	0.057	50	30		BCEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC#N)cc1	ZINC000000275610	383851474	/nfs/dbraw/zinc/85/14/74/383851474.db2.gz	XTFANTLGGNOWDC-UHFFFAOYSA-N	-1	0	238.268	0.714	50	30		BCEARM
CN(C)c1ccc(/C=N/NC(N)=S)c(O)c1	ZINC000000129379	383829684	/nfs/dbraw/zinc/82/96/84/383829684.db2.gz	GVLCLZKBUDROKI-WUXMJOGZSA-N	-1	0	238.316	0.625	50	30		BCEARM
O=C([O-])Cn1c[n+](CC(=O)[O-])c2ccccc21	ZINC000003267926	384003792	/nfs/dbraw/zinc/00/37/92/384003792.db2.gz	OZJQCPQLYNUHIB-UHFFFAOYSA-O	-1	0	235.219	0.098	50	30		BCEARM
O=C([O-])C(=N\O)/C(=N/O)Nc1ccccc1	ZINC000015085944	384416749	/nfs/dbraw/zinc/41/67/49/384416749.db2.gz	PPAVTCINPRSTRF-XFFZJAGNSA-N	-1	0	223.188	0.801	50	30		BCEARM
COc1cc(C([O-])=C[N+](=O)[O-])cc2c1OCO2	ZINC000100023602	386817735	/nfs/dbraw/zinc/81/77/35/386817735.db2.gz	IKAQXPVNXGFJOG-UHFFFAOYSA-N	-1	0	239.183	0.883	50	30		BCEARM
N#Cc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001624799	387145504	/nfs/dbraw/zinc/14/55/04/387145504.db2.gz	CBVJTZOGNARWMM-UHFFFAOYSA-N	-1	0	241.206	0.308	50	30		BCEARM
O=S1(=O)CC[C@@H](NC(=S)[S-])C1	ZINC000334159519	135321940	/nfs/dbraw/zinc/32/19/40/135321940.db2.gz	ORCMUXSLFVVHNI-SCSAIBSYSA-P	-1	0	212.341	0.536	50	30		BCEARM
CO/N=C(\C(=O)[O-])c1cn2cccnc2n1	ZINC000000438860	397915487	/nfs/dbraw/zinc/91/54/87/397915487.db2.gz	JQRZLDKMYXJGOV-GHXNOFRVSA-N	-1	0	220.188	0.164	50	30		BCEARM
C=CCN1C(=O)[N-]C(=O)C(=C(C)NC2CC2)C1=O	ZINC000005816524	166350680	/nfs/dbraw/zinc/35/06/80/166350680.db2.gz	ODFMPVDHHGKODC-VQHVLOKHSA-N	-1	0	249.270	0.277	50	30		BCEARM
C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000001604365	166390862	/nfs/dbraw/zinc/39/08/62/166390862.db2.gz	WOVNLQWKGISOPF-DTWKUNHWSA-N	-1	0	209.245	0.956	50	30		BCEARM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2	ZINC000103508201	410901617	/nfs/dbraw/zinc/90/16/17/410901617.db2.gz	LRNRZMDKGLJPPA-JTQLQIEISA-N	-1	0	244.250	0.690	50	30		BCEARM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1	ZINC000097107185	170767222	/nfs/dbraw/zinc/76/72/22/170767222.db2.gz	NIVLLIOVYFNBIA-SSDOTTSWSA-N	-1	0	245.304	0.853	50	30		BCEARM
Cn1cc(Br)c(/C=N/[O-])n1	ZINC000252483517	527144623	/nfs/dbraw/zinc/14/46/23/527144623.db2.gz	FDFKQLHHHNRNCN-FARCUNLSSA-N	-1	0	204.027	0.991	50	30		BCEARM
O=C([O-])c1ccc(C=NN2CC(=O)NC2=O)cc1	ZINC000254756535	642739554	/nfs/dbraw/zinc/73/95/54/642739554.db2.gz	SLIGTDFDPAQYIL-UHFFFAOYSA-N	-1	0	247.210	0.271	50	30		BCEARM
Cc1cc(=O)n2nc(SCC#N)[n-]c2n1	ZINC000009183819	178201854	/nfs/dbraw/zinc/20/18/54/178201854.db2.gz	SPBQTYJHBFOSEV-UHFFFAOYSA-N	-1	0	221.245	0.754	50	30		BCEARM
COc1cc(C/C(=N\O)C(=O)[O-])ccc1O	ZINC000004701038	342750539	/nfs/dbraw/zinc/75/05/39/342750539.db2.gz	ORLNMIHKAMNRSW-YRNVUSSQSA-N	-1	0	225.200	0.858	50	30		BCEARM
COC(=O)[C@H](/C=N/[O-])NC(=O)c1ccccc1	ZINC000013142423	342863972	/nfs/dbraw/zinc/86/39/72/342863972.db2.gz	HLBKBLJYUKQKNZ-SZUMLMDFSA-N	-1	0	236.227	0.418	50	30		BCEARM
Nc1cc2cc(N)cc3c2c(c1)C(=O)N(O)C3=O	ZINC000000315120	344693385	/nfs/dbraw/zinc/69/33/85/344693385.db2.gz	HDTGBRAZKKVLBM-UHFFFAOYSA-N	-1	0	243.222	0.989	50	30		BCEARM
C#CCN(CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000021299813	187370771	/nfs/dbraw/zinc/37/07/71/187370771.db2.gz	UFIXSVLNUUDLSE-UHFFFAOYSA-N	-1	0	213.233	0.941	50	30		BCEARM
C#CCOCCOCCOCCC(=O)[O-]	ZINC000079016731	187396649	/nfs/dbraw/zinc/39/66/49/187396649.db2.gz	CJNSWLAJTZVSRB-UHFFFAOYSA-N	-1	0	216.233	0.144	50	30		BCEARM
N#Cc1cc(CN2CCOCC2)c[n-]c1=O	ZINC000238633322	181085941	/nfs/dbraw/zinc/08/59/41/181085941.db2.gz	XQPXVPCKMUFFBY-UHFFFAOYSA-N	-1	0	219.244	0.079	50	30		BCEARM
N#Cc1ccc(N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000019867249	181117254	/nfs/dbraw/zinc/11/72/54/181117254.db2.gz	JTUMMXIPTKTCHV-GHMZBOCLSA-N	-1	0	232.239	0.582	50	30		BCEARM
N#Cc1cccc(NC(=O)COCC(=O)[O-])c1	ZINC000000100825	181140254	/nfs/dbraw/zinc/14/02/54/181140254.db2.gz	YMEZAPRBLMJEEF-UHFFFAOYSA-N	-1	0	234.211	0.598	50	30		BCEARM
N#Cc1ccccc1CCS(=O)(=O)[O-]	ZINC000049582077	181144875	/nfs/dbraw/zinc/14/48/75/181144875.db2.gz	VBSDDBNVIZONGX-UHFFFAOYSA-N	-1	0	211.242	0.989	50	30		BCEARM
CS(=O)(=O)C(C#N)=C([O-])c1ccccc1	ZINC000088300609	538571274	/nfs/dbraw/zinc/57/12/74/538571274.db2.gz	MLBMAYFXFKOSAR-SECBINFHSA-N	-1	0	223.253	0.806	50	30		BCEARM
CC1(C)NC(C)(C)C(=N[O-])c2nonc21	ZINC000252596710	363982466	/nfs/dbraw/zinc/98/24/66/363982466.db2.gz	CLQODAQRWULVRU-UHFFFAOYSA-N	-1	0	210.237	0.865	50	30		BCEARM
Oc1ccccc1CN=Nc1nnn[n-]1	ZINC000003898310	183299426	/nfs/dbraw/zinc/29/94/26/183299426.db2.gz	GAJKAMWBPBMNJM-WEVVVXLNSA-N	-1	0	204.193	0.351	50	30		BCEARM
O=C([O-])COc1ccccc1/C=N\n1cnnc1	ZINC000000229042	383846095	/nfs/dbraw/zinc/84/60/95/383846095.db2.gz	YKAFQSJTOCVZAS-RZNTYIFUSA-N	-1	0	246.226	0.624	50	30		BCEARM
O=C([O-])COc1ccc(/C=N/n2cnnc2)cc1	ZINC000000367977	383859875	/nfs/dbraw/zinc/85/98/75/383859875.db2.gz	NVKXDMZSMOQWGE-LHHJGKSTSA-N	-1	0	246.226	0.624	50	30		BCEARM
C/N=C1/S[C@H](CC(=O)[O-])C(=O)N1C	ZINC000002676660	383984279	/nfs/dbraw/zinc/98/42/79/383984279.db2.gz	JYCIIMYFSHYOEI-NFAHRKRTSA-N	-1	0	202.235	0.021	50	30		BCEARM
O=C([O-])CN1CCC[C@@H](CS)C1=O	ZINC000005134600	384100251	/nfs/dbraw/zinc/10/02/51/384100251.db2.gz	YQRNEFFCJKUMIN-LURJTMIESA-N	-1	0	203.263	0.239	50	30		BCEARM
N#CCCn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000071873553	384184968	/nfs/dbraw/zinc/18/49/68/384184968.db2.gz	WLSXXLSVQLJMOW-UHFFFAOYSA-N	-1	0	237.171	0.368	50	30		BCEARM
Nc1nonc1/C(=N\[O-])NCc1ccccc1	ZINC000012376387	384316872	/nfs/dbraw/zinc/31/68/72/384316872.db2.gz	RDNDSCCANZUONG-UHFFFAOYSA-N	-1	0	233.231	0.577	50	30	in-vivo	BCEARM
C#C[C@](C)(CC)OC[C@H](O)CS(=O)(=O)[O-]	ZINC000003070083	384387489	/nfs/dbraw/zinc/38/74/89/384387489.db2.gz	ACECXYRYJZCBLA-DTWKUNHWSA-N	-1	0	236.289	0.054	50	30		BCEARM
CON=Cc1c(=O)[nH][n-]c1C(F)(F)F	ZINC000100925891	384658141	/nfs/dbraw/zinc/65/81/41/384658141.db2.gz	FDQWUNPNQVELNJ-NSSOCOSKSA-N	-1	0	209.127	0.283	50	30		BCEARM
CON=Cc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000100925911	384659575	/nfs/dbraw/zinc/65/95/75/384659575.db2.gz	HVZLFTFMCUNAQK-SZUMLMDFSA-N	-1	0	217.228	0.769	50	30		BCEARM
CCOC(=O)/C(=N\[O-])C(=O)c1cccnc1	ZINC000048545003	385664667	/nfs/dbraw/zinc/66/46/67/385664667.db2.gz	VHEHMHOLMXWWKK-WQLSENKSSA-N	-1	0	222.200	0.658	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@@H]2C(=O)C=CC(=O)[C@@H]12	ZINC000100965318	387298221	/nfs/dbraw/zinc/29/82/21/387298221.db2.gz	HMHYLJXNGHJBJD-BRDIYROLSA-N	-1	0	206.197	0.588	50	30		BCEARM
Cc1nc2c(C#N)c[n-]n2c(=O)c1Cl	ZINC000101461447	387471613	/nfs/dbraw/zinc/47/16/13/387471613.db2.gz	YPTJLUUHWMMEPB-UHFFFAOYSA-N	-1	0	208.608	0.856	50	30		BCEARM
O=C([O-])C1=CN2CCC3=CCC=C(C1=O)[C@@H]32	ZINC000226772933	387949502	/nfs/dbraw/zinc/94/95/02/387949502.db2.gz	BRELBFBIXZJBFE-WCBMZHEXSA-N	-1	0	217.224	0.724	50	30		BCEARM
Cc1n[n-]c(N/N=C/c2ccncc2)nc1=O	ZINC000003945110	388389583	/nfs/dbraw/zinc/38/95/83/388389583.db2.gz	WJMHCLJKVCDCKA-WUXMJOGZSA-N	-1	0	230.231	0.314	50	30		BCEARM
C=CCN(CC=C)Cn1[n-]c(=O)ccc1=O	ZINC000012343634	166337119	/nfs/dbraw/zinc/33/71/19/166337119.db2.gz	MWPXMYNAJQXGMK-UHFFFAOYSA-N	-1	0	221.260	0.580	50	30		BCEARM
C=CCN1C(=O)[C@@H](CCC(=O)[O-])NC1=S	ZINC000000308408	166351114	/nfs/dbraw/zinc/35/11/14/166351114.db2.gz	RHUKJPGKFXOINC-ZCFIWIBFSA-N	-1	0	228.273	0.123	50	30		BCEARM
C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000001604366	166386766	/nfs/dbraw/zinc/38/67/66/166386766.db2.gz	WOVNLQWKGISOPF-RKDXNWHRSA-N	-1	0	209.245	0.956	50	30		BCEARM
CC[N@@H+]1CCc2c(C#N)c(=O)[n-]c([O-])c2C1	ZINC000002260762	170023792	/nfs/dbraw/zinc/02/37/92/170023792.db2.gz	QAQSXBFRGNOQTR-UHFFFAOYSA-N	-1	0	219.244	0.330	50	30		BCEARM
CCOC(=O)/C(=N/[O-])c1c(C)nn(C)c1C	ZINC000013146132	170179890	/nfs/dbraw/zinc/17/98/90/170179890.db2.gz	XKAXFWNCAMMSEV-FMIVXFBMSA-N	-1	0	225.248	0.778	50	30		BCEARM
COc1cccc(C=Nc2nn[nH]n2)c1O	ZINC000008210700	175241736	/nfs/dbraw/zinc/24/17/36/175241736.db2.gz	IKCHAGMZKFRPPR-BJMVGYQFSA-N	-1	0	219.204	0.665	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@H]2C(=O)C=CC(=O)[C@@H]12	ZINC000004722341	518201478	/nfs/dbraw/zinc/20/14/78/518201478.db2.gz	HMHYLJXNGHJBJD-NYNCVSEMSA-N	-1	0	206.197	0.588	50	30		BCEARM
CN(C(=S)[S-])[C@@H]1CCS(=O)(=O)C1	ZINC000334157972	523967236	/nfs/dbraw/zinc/96/72/36/523967236.db2.gz	DBZBSXFTWOHIGH-RXMQYKEDSA-O	-1	0	226.368	0.878	50	30		BCEARM
O=S1(=O)NC/C(=N\[O-])c2sccc21	ZINC000102296247	636546899	/nfs/dbraw/zinc/54/68/99/636546899.db2.gz	MYAHRAJJQGKKHJ-XBXARRHUSA-N	-1	0	218.259	0.218	50	30		BCEARM
O=C(C=N[O-])Nc1ccccc1[N+](=O)[O-]	ZINC000254365257	642713945	/nfs/dbraw/zinc/71/39/45/642713945.db2.gz	WDQNNIVHSKMKSH-UHFFFAOYSA-N	-1	0	209.161	0.993	50	30		BCEARM
Cc1cc([O-])n(C[C@@H]2CCCO2)c(=O)c1C#N	ZINC000016806480	178201104	/nfs/dbraw/zinc/20/11/04/178201104.db2.gz	LYPITEYFNCCZPC-VIFPVBQESA-N	-1	0	234.255	0.913	50	30		BCEARM
Cc1cc([O-])n(C[C@H]2CCCO2)c(=O)c1C#N	ZINC000016806482	178201368	/nfs/dbraw/zinc/20/13/68/178201368.db2.gz	LYPITEYFNCCZPC-SECBINFHSA-N	-1	0	234.255	0.913	50	30		BCEARM
O=c1[n-]c(=O)c(NN=Cc2ccc(O)cc2)n[nH]1	ZINC000004114892	188101722	/nfs/dbraw/zinc/10/17/22/188101722.db2.gz	TUELOVHPLDITRC-VZUCSPMQSA-N	-1	0	247.214	0.022	50	30		BCEARM
N#C/C(=N/[O-])S(=O)(=O)c1cccs1	ZINC000094986179	181025303	/nfs/dbraw/zinc/02/53/03/181025303.db2.gz	GKSWUUKUJQLILQ-YVMONPNESA-N	-1	0	216.243	0.833	50	30		BCEARM
N#CC1=C([O-])C(=O)N(Cc2ccccc2)C1	ZINC000001685597	181061112	/nfs/dbraw/zinc/06/11/12/181061112.db2.gz	DMHPNNXXUGTDAL-SNVBAGLBSA-N	-1	0	214.224	0.738	50	30		BCEARM
N#Cc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000019475436	181111000	/nfs/dbraw/zinc/11/10/00/181111000.db2.gz	DGZLPEXTGJUEHL-UHFFFAOYSA-N	-1	0	239.252	0.558	50	30		BCEARM
N#Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000020154789	181116771	/nfs/dbraw/zinc/11/67/71/181116771.db2.gz	AWHVWOBPWUNUBZ-VIFPVBQESA-N	-1	0	230.223	0.996	50	30		BCEARM
N#Cc1cn(-c2cc(Cl)ccn2)c(=O)[n-]c1=O	ZINC000000481066	181161242	/nfs/dbraw/zinc/16/12/42/181161242.db2.gz	AZMMMPTYDCYIPI-UHFFFAOYSA-N	-1	0	248.629	0.446	50	30		BCEARM
CNC(=O)C(C#N)=NNc1ccc(C(=O)[O-])cc1	ZINC000252634611	364627193	/nfs/dbraw/zinc/62/71/93/364627193.db2.gz	WPBRQKFSUNNXLE-UHFFFAOYSA-N	-1	0	246.226	0.422	50	30		BCEARM
CN1C/C(=N\[O-])c2sccc2S1(=O)=O	ZINC000020220055	371245813	/nfs/dbraw/zinc/24/58/13/371245813.db2.gz	PJVSHEYUKKVEEC-VMPITWQZSA-N	-1	0	232.286	0.561	50	30		BCEARM
C=C(C)C(=O)OCCOC(=O)CCC(=O)[O-]	ZINC000002564809	384458533	/nfs/dbraw/zinc/45/85/33/384458533.db2.gz	ZEWLHMQYEZXSBH-UHFFFAOYSA-N	-1	0	230.216	0.514	50	30		BCEARM
O=CC(=CO)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000100000510	384606652	/nfs/dbraw/zinc/60/66/52/384606652.db2.gz	GZWXVHDRRQJPHX-UHFFFAOYSA-N	-1	0	237.167	0.774	50	30		BCEARM
Cc1cc(=O)n2nc(SCC#N)[n-]c2n1	ZINC000100069522	384614998	/nfs/dbraw/zinc/61/49/98/384614998.db2.gz	SOHFWPCKIPFKIL-UHFFFAOYSA-N	-1	0	221.245	0.342	50	30		BCEARM
CON=Cc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000100925908	384659789	/nfs/dbraw/zinc/65/97/89/384659789.db2.gz	HVZLFTFMCUNAQK-SZJBZFAYSA-N	-1	0	217.228	0.769	50	30		BCEARM
COc1cc(/C=N\O)ccc1OCC(=O)[O-]	ZINC000004832510	384931940	/nfs/dbraw/zinc/93/19/40/384931940.db2.gz	GUGOLAZVXAGPNR-WZUFQYTHSA-N	-1	0	225.200	0.967	50	30		BCEARM
Cc1nnc([S-])n(N=Cc2ccco2)c1=O	ZINC000254626625	388347266	/nfs/dbraw/zinc/34/72/66/388347266.db2.gz	JCIODXDOCJZABZ-UHFFFAOYSA-N	-1	0	236.256	0.711	50	30		BCEARM
C=CCN1C(=O)[N-]C(=O)C(=Cc2ccc[nH]2)C1=O	ZINC000036537666	166350165	/nfs/dbraw/zinc/35/01/65/166350165.db2.gz	CZRDKHWFWXVMEW-CLFYSBASSA-N	-1	0	245.238	0.867	50	30		BCEARM
CC(C)(C)c1nnc2c(C#N)c(N)[n-]n2c1=O	ZINC000101726523	410791834	/nfs/dbraw/zinc/79/18/34/410791834.db2.gz	YXZDGVORGYTJJL-UHFFFAOYSA-N	-1	0	232.247	0.169	50	30		BCEARM
COc1cccc(OC)c1C(=O)Nc1nnn[n-]1	ZINC000008495115	175280772	/nfs/dbraw/zinc/28/07/72/175280772.db2.gz	SPAMEISLLQZPPP-UHFFFAOYSA-N	-1	0	249.230	0.853	50	30		BCEARM
COc1ccccc1/C=N/Nc1nc(=O)cn[n-]1	ZINC000004158864	175315693	/nfs/dbraw/zinc/31/56/93/175315693.db2.gz	HDNSDIZMYBXLTL-WUXMJOGZSA-N	-1	0	245.242	0.620	50	30		BCEARM
C=CCN(CC(=O)[O-])C(=O)c1ccncc1F	ZINC000092462423	518759680	/nfs/dbraw/zinc/75/96/80/518759680.db2.gz	USMFHSNAKVNIRF-UHFFFAOYSA-N	-1	0	238.218	0.934	50	30		BCEARM
CN(C(=S)[S-])[C@H]1CCS(=O)(=O)C1	ZINC000334157973	523967051	/nfs/dbraw/zinc/96/70/51/523967051.db2.gz	DBZBSXFTWOHIGH-YFKPBYRVSA-O	-1	0	226.368	0.878	50	30		BCEARM
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000000057001	342672004	/nfs/dbraw/zinc/67/20/04/342672004.db2.gz	FAKRSMQSSFJEIM-RQJHMYQMSA-N	-1	0	217.290	0.628	50	30	fda	BCEARM
CCCc1cc(=O)[nH]c(NN=C(C)C(=O)[O-])n1	ZINC000034738831	343277749	/nfs/dbraw/zinc/27/77/49/343277749.db2.gz	VBFZFBYNRPBPNN-AWNIVKPZSA-N	-1	0	238.247	0.595	50	30		BCEARM
C/C(=N\O)C(C)(C)N(C)C/C(C#N)=N/[O-]	ZINC000005480210	346237189	/nfs/dbraw/zinc/23/71/89/346237189.db2.gz	YUDPCTHCHHJVJG-MKICQXMISA-N	-1	0	212.253	0.901	50	30		BCEARM
O=[N+]([O-])c1ccc(CN=Nc2nnn[n-]2)o1	ZINC000005514087	346246042	/nfs/dbraw/zinc/24/60/42/346246042.db2.gz	RWNJZTDXSLJHEL-XVNBXDOJSA-N	-1	0	223.152	0.147	50	30		BCEARM
O=S(=O)([O-])OCC/N=C/c1ccccc1O	ZINC000020436243	347447058	/nfs/dbraw/zinc/44/70/58/347447058.db2.gz	NMSKIWZUIXIELR-JXMROGBWSA-N	-1	0	245.256	0.631	50	30		BCEARM
Cc1ccccc1-n1cc(C#N)c(=O)[n-]c1=O	ZINC000000171201	179241709	/nfs/dbraw/zinc/24/17/09/179241709.db2.gz	RLSULWZPCZLLPL-UHFFFAOYSA-N	-1	0	227.223	0.706	50	30		BCEARM
CC(=O)C(Sc1n[nH]c(=O)[n-]c1=O)=C(C)O	ZINC000033712233	350455924	/nfs/dbraw/zinc/45/59/24/350455924.db2.gz	NRHFSDJNIZQETQ-HWKANZROSA-N	-1	0	243.244	0.341	50	30		BCEARM
N#CC(=N[N-]c1[nH]cnc1[N+](=O)[O-])C(N)=S	ZINC000004476690	181024884	/nfs/dbraw/zinc/02/48/84/181024884.db2.gz	YHXVAGSRKWIBIR-QDEBKDIKSA-N	-1	0	239.220	0.516	50	30		BCEARM
N#C/C(=N\[O-])C(=O)NCc1ccccc1	ZINC000004770260	181025503	/nfs/dbraw/zinc/02/55/03/181025503.db2.gz	OIJNLRRHAZUZSW-UKTHLTGXSA-N	-1	0	203.201	0.657	50	30		BCEARM
N#CCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000012505049	181043315	/nfs/dbraw/zinc/04/33/15/181043315.db2.gz	DTNHOUWOAGYIPU-UHFFFAOYSA-N	-1	0	240.240	0.187	50	30		BCEARM
N#Cc1cc(I)c[n-]c1=O	ZINC000038537248	181089192	/nfs/dbraw/zinc/08/91/92/181089192.db2.gz	DHNUUSNUUZTHEN-UHFFFAOYSA-N	-1	0	246.007	0.851	50	30		BCEARM
N#Cc1ccc(N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000019867252	181116548	/nfs/dbraw/zinc/11/65/48/181116548.db2.gz	JTUMMXIPTKTCHV-WDEREUQCSA-N	-1	0	232.239	0.582	50	30		BCEARM
N#Cc1ccsc1-n1cc(C#N)c(=O)[n-]c1=O	ZINC000005705300	181160566	/nfs/dbraw/zinc/16/05/66/181160566.db2.gz	MZZCNHOEVLTJKR-UHFFFAOYSA-N	-1	0	244.235	0.331	50	30		BCEARM
N#Cc1cn(Cc2ccco2)c(=O)[n-]c1=O	ZINC000000169571	181161231	/nfs/dbraw/zinc/16/12/31/181161231.db2.gz	DTOWHOLOGOKQHG-UHFFFAOYSA-N	-1	0	217.184	0.050	50	30		BCEARM
C=C(C)C(=O)OCC[C@H](C(C)=O)C(=O)[O-]	ZINC000005224337	355355652	/nfs/dbraw/zinc/35/56/52/355355652.db2.gz	YUSVJLRFZYMEAO-MRVPVSSYSA-N	-1	0	214.217	0.786	50	30		BCEARM
N=c1[nH][nH]c(N)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000004477402	181207828	/nfs/dbraw/zinc/20/78/28/181207828.db2.gz	YEKLVLGWHCLILT-UHFFFAOYSA-N	-1	0	246.230	0.215	50	30		BCEARM
CSc1[n-]c(=O)c(C#N)c(N)c1C#N	ZINC000036719681	361388477	/nfs/dbraw/zinc/38/84/77/361388477.db2.gz	ORQSBLCFOPDOLA-UHFFFAOYSA-N	-1	0	206.230	0.835	50	30		BCEARM
CNC(=O)N=S(=O)([O-])Cc1ccccc1	ZINC000039929936	373063128	/nfs/dbraw/zinc/06/31/28/373063128.db2.gz	AHKGBRJBYIWBGY-UHFFFAOYSA-N	-1	0	228.273	0.650	50	30		BCEARM
C=CCc1c([O-])nc2n(c1=O)CCS2	ZINC000009428407	374127338	/nfs/dbraw/zinc/12/73/38/374127338.db2.gz	BMXKBVWXANOFQC-UHFFFAOYSA-N	-1	0	210.258	0.783	50	30		BCEARM
O=C([O-])c1ccc(/C=N/n2cnnc2)cc1	ZINC000000275338	182564045	/nfs/dbraw/zinc/56/40/45/182564045.db2.gz	SFOMSYHWRVDKTB-WLRTZDKTSA-N	-1	0	216.200	0.859	50	30		BCEARM
O=c1cn[n-]c(N/N=C/c2ccccc2F)n1	ZINC000012341119	183006924	/nfs/dbraw/zinc/00/69/24/183006924.db2.gz	RQRKEFUWXWCCPM-LFYBBSHMSA-N	-1	0	233.206	0.750	50	30		BCEARM
O=C([O-])CCNC(=O)c1ncccc1O	ZINC000037760169	384009885	/nfs/dbraw/zinc/00/98/85/384009885.db2.gz	PFHCIEHBSHVNNL-UHFFFAOYSA-N	-1	0	210.189	0.567	50	30		BCEARM
CS(=O)(=O)c1s[n-]c(=O)c1C#N	ZINC000032937982	384479773	/nfs/dbraw/zinc/47/97/73/384479773.db2.gz	UDVHLHGFFRDDRE-UHFFFAOYSA-N	-1	0	204.232	0.124	50	30		BCEARM
Nc1nonc1C(=N[O-])Nc1ccccc1	ZINC000000494148	384745269	/nfs/dbraw/zinc/74/52/69/384745269.db2.gz	BOACWWQRUZPMQY-UHFFFAOYSA-N	-1	0	219.204	0.900	50	30		BCEARM
O=C([O-])CNC=C1C(=O)Oc2ccccc2C1=O	ZINC000059171409	386470530	/nfs/dbraw/zinc/47/05/30/386470530.db2.gz	NMPCGZSUIYZGKU-VMPITWQZSA-N	-1	0	247.206	0.346	50	30		BCEARM
COC(=O)c1ccccc1NC(=O)C=N[O-]	ZINC000254381359	388732708	/nfs/dbraw/zinc/73/27/08/388732708.db2.gz	QAVYRCRPJGELDP-UHFFFAOYSA-N	-1	0	222.200	0.872	50	30		BCEARM
c1cc2nsnc2c(CN=Nc2nnn[n-]2)c1	ZINC000007036552	166229867	/nfs/dbraw/zinc/22/98/67/166229867.db2.gz	KEIHSEJWUHVPSB-RUDMXATFSA-N	-1	0	246.259	0.650	50	30		BCEARM
CC1=CC[C@@]2(C#N)C(=O)[N-]C(=O)[C@]2(C#N)C1	ZINC000000493794	168120335	/nfs/dbraw/zinc/12/03/35/168120335.db2.gz	DSDBUADJPKDBEX-GHMZBOCLSA-N	-1	0	215.212	0.403	50	30		BCEARM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1	ZINC000097107186	171356961	/nfs/dbraw/zinc/35/69/61/171356961.db2.gz	NIVLLIOVYFNBIA-ZETCQYMHSA-N	-1	0	245.304	0.853	50	30		BCEARM
COc1ccc(-n2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC000000166413	175043986	/nfs/dbraw/zinc/04/39/86/175043986.db2.gz	IUHGJPXHOBKFCM-UHFFFAOYSA-N	-1	0	243.222	0.818	50	30		BCEARM
C[C@@H](c1ccc(C#N)c(=O)[n-]1)n1cncn1	ZINC000008873754	176012625	/nfs/dbraw/zinc/01/26/25/176012625.db2.gz	QXWKNKVVJOEREK-ZETCQYMHSA-N	-1	0	215.216	0.860	50	30		BCEARM
CCOC(=O)/C(=N\[O-])C(=O)Nc1ccccn1	ZINC000108421822	491075361	/nfs/dbraw/zinc/07/53/61/491075361.db2.gz	GRFIBLVOODQMQG-JYRVWZFOSA-N	-1	0	237.215	0.413	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@@H]2[C@@H](O)C=CC(=O)[C@H]12	ZINC000105063040	527657847	/nfs/dbraw/zinc/65/78/47/527657847.db2.gz	IZTKKSDDRFMLJJ-ODXREFDESA-N	-1	0	208.213	0.379	50	30		BCEARM
CN(C)c1ccc(C=[NH+][N-]c2nnn[n-]2)cc1	ZINC000254742807	635727150	/nfs/dbraw/zinc/72/71/50/635727150.db2.gz	VGXJMBOWJUVGBN-UHFFFAOYSA-N	-1	0	231.263	0.712	50	30		BCEARM
C[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000000057000	342671915	/nfs/dbraw/zinc/67/19/15/342671915.db2.gz	FAKRSMQSSFJEIM-BQBZGAKWSA-N	-1	0	217.290	0.628	50	30	in-vivo	BCEARM
C=CCOC(=O)N[C@@H](CCCCO)C(=O)[O-]	ZINC000002540490	342723492	/nfs/dbraw/zinc/72/34/92/342723492.db2.gz	KOOKENROFNHCNM-QMMMGPOBSA-N	-1	0	231.248	0.514	50	30		BCEARM
CCOc1ccc(NC(=O)C(=O)NO)cc1	ZINC000005345229	344005578	/nfs/dbraw/zinc/00/55/78/344005578.db2.gz	GOLQFRYFMONRQE-UHFFFAOYSA-N	-1	0	224.216	0.529	50	30		BCEARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]cc1C#N	ZINC000071280761	188130419	/nfs/dbraw/zinc/13/04/19/188130419.db2.gz	JMVNVKUCOPGZOK-RNFRBKRXSA-N	-1	0	248.242	0.577	50	30		BCEARM
C=CCSC[C@H](NC(C)=O)C(=O)[O-]	ZINC000005167324	188225646	/nfs/dbraw/zinc/22/56/46/188225646.db2.gz	LKRAEHUDIUJBSF-ZETCQYMHSA-N	-1	0	203.263	0.495	50	30	in-vitro	BCEARM
C=CCNC(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000002425301	166378962	/nfs/dbraw/zinc/37/89/62/166378962.db2.gz	AKCFHTHGDUJWFT-ZETCQYMHSA-N	-1	0	232.305	0.678	50	30		BCEARM
N#CC(=C([O-])C(N)=O)c1nc2ccccc2s1	ZINC000005740125	181062732	/nfs/dbraw/zinc/06/27/32/181062732.db2.gz	INNOEYHIDDJEIZ-ZCFIWIBFSA-N	-1	0	245.263	0.958	50	30		BCEARM
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002379465	188585436	/nfs/dbraw/zinc/58/54/36/188585436.db2.gz	AMKHAJIFPHJYMH-SSDOTTSWSA-N	-1	0	213.233	0.988	50	30		BCEARM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)C1CC1)C2	ZINC000225680582	181093314	/nfs/dbraw/zinc/09/33/14/181093314.db2.gz	LMBQMDUVLSOARU-UHFFFAOYSA-N	-1	0	243.266	0.541	50	30		BCEARM
N#Cc1cn(Cc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC000000171143	181161409	/nfs/dbraw/zinc/16/14/09/181161409.db2.gz	IDYHDZFWHQQJOD-UHFFFAOYSA-N	-1	0	245.213	0.596	50	30		BCEARM
NC(=S)N[N-]S(=O)(=O)c1ccccc1	ZINC000001587538	181184505	/nfs/dbraw/zinc/18/45/05/181184505.db2.gz	JWPWVPPTDSULMI-UHFFFAOYSA-N	-1	0	231.302	0.124	50	30		BCEARM
N#CC(=N[O-])C(=O)NC(=O)c1ccccc1	ZINC000252615629	364071135	/nfs/dbraw/zinc/07/11/35/364071135.db2.gz	JTWOOTIYUDKFJJ-UHFFFAOYSA-N	-1	0	217.184	0.297	50	30		BCEARM
N#Cc1ccc(N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000019867243	371194981	/nfs/dbraw/zinc/19/49/81/371194981.db2.gz	JTUMMXIPTKTCHV-MNOVXSKESA-N	-1	0	232.239	0.582	50	30		BCEARM
Cc1c(C(=O)[O-])cnc2c(C#N)cnn21	ZINC000002765627	371653808	/nfs/dbraw/zinc/65/38/08/371653808.db2.gz	QEGTWCHNGIFYQE-UHFFFAOYSA-N	-1	0	202.173	0.608	50	30		BCEARM
O=c1[n-][nH]c(=O)n1N=CC=Cc1ccccc1	ZINC000004977460	182981819	/nfs/dbraw/zinc/98/18/19/182981819.db2.gz	LBXIVXGRTISQAB-OTIJGBKASA-N	-1	0	230.227	0.824	50	30		BCEARM
COC(=O)N=S(=O)([O-])c1ccccc1	ZINC000000039692	383819892	/nfs/dbraw/zinc/81/98/92/383819892.db2.gz	QHSZICITQBPJNK-UHFFFAOYSA-N	-1	0	215.230	0.936	50	30		BCEARM
CC(=O)C(=N[N-]c1c(C)nn(C)c1C)C(C)=O	ZINC000000141524	383832637	/nfs/dbraw/zinc/83/26/37/383832637.db2.gz	DTTIRNVELGAECM-UHFFFAOYSA-N	-1	0	236.275	0.983	50	30		BCEARM
Cc1n[n-]c(=S)n(N=Cc2ccccn2)c1=O	ZINC000100286275	384631427	/nfs/dbraw/zinc/63/14/27/384631427.db2.gz	DZGPDZUPTNJICG-WUXMJOGZSA-N	-1	0	247.283	0.887	50	30		BCEARM
C/N=C1\S[C@@H](C(=O)[O-])CC(=O)N1C	ZINC000013116507	385256096	/nfs/dbraw/zinc/25/60/96/385256096.db2.gz	NWIDFNCGAHZMPM-NFUDMSOPSA-N	-1	0	202.235	0.021	50	30		BCEARM
CC(=O)C(N=Nc1nc(C#N)c(C#N)[n-]1)C(C)=O	ZINC000001414495	386452912	/nfs/dbraw/zinc/45/29/12/386452912.db2.gz	IPAVYHPLHUIIHX-UHFFFAOYSA-N	-1	0	244.214	0.099	50	30		BCEARM
C=C(C)C(=O)Nc1cc(=O)n(CC(F)(F)F)[n-]1	ZINC000002171646	388835387	/nfs/dbraw/zinc/83/53/87/388835387.db2.gz	GCCGCXWGQXBAJI-UHFFFAOYSA-N	-1	0	249.192	0.787	50	30		BCEARM
C#C[C@@](C)(CC)OC[C@@H](O)CS(=O)(=O)[O-]	ZINC000003070086	166213999	/nfs/dbraw/zinc/21/39/99/166213999.db2.gz	ACECXYRYJZCBLA-BDAKNGLRSA-N	-1	0	236.289	0.054	50	30		BCEARM
CCOC(=O)C(=O)C1C(=O)C(C)=C([O-])C1=O	ZINC000100214224	170182428	/nfs/dbraw/zinc/18/24/28/170182428.db2.gz	LSICRBGERAXISM-WEVVVXLNSA-N	-1	0	226.184	0.345	50	30		BCEARM
CCOC([O-])=NC(O)=C(C#N)C=NOC	ZINC000004039671	170240612	/nfs/dbraw/zinc/24/06/12/170240612.db2.gz	AXOYXSBGRJDLAN-UEEORIODSA-N	-1	0	213.193	0.031	50	30		BCEARM
CCOC(=O)c1[nH]cnc1[N-]N=C(C#N)C#N	ZINC000005799564	170307823	/nfs/dbraw/zinc/30/78/23/170307823.db2.gz	OJXFDTFJXHQUKS-UHFFFAOYSA-N	-1	0	232.203	0.401	50	30		BCEARM
CNC(=O)C(C#N)=NNc1ccccc1C(=O)[O-]	ZINC000005353367	173211267	/nfs/dbraw/zinc/21/12/67/173211267.db2.gz	ACAXZPJBNZSSKJ-OQLLNIDSSA-N	-1	0	246.226	0.422	50	30		BCEARM
CNC(=O)N(C)C(=O)c1c[n-]c(=O)c(C#N)c1	ZINC000008981489	173284538	/nfs/dbraw/zinc/28/45/38/173284538.db2.gz	GNUJIEXOIXYPOV-UHFFFAOYSA-N	-1	0	234.215	0.070	50	30		BCEARM
CC(C)(S)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000000020222	491083798	/nfs/dbraw/zinc/08/37/98/491083798.db2.gz	VUAFHZCUKUDDBC-BYPYZUCNSA-N	-1	0	223.319	0.194	50	30	investigational	BCEARM
C[C@](O)(CNc1cccc(F)c1C#N)C(=O)[O-]	ZINC000228637645	491096224	/nfs/dbraw/zinc/09/62/24/491096224.db2.gz	UMGMGGDLYBCEQR-NSHDSACASA-N	-1	0	238.218	0.945	50	30		BCEARM
O=C([O-])[C@@H]1C=CC[C@@H]2[C@H](O)C=CC(=O)[C@H]12	ZINC000254790717	527658016	/nfs/dbraw/zinc/65/80/16/527658016.db2.gz	IZTKKSDDRFMLJJ-DQUBFYRCSA-N	-1	0	208.213	0.379	50	30		BCEARM
CNC(=S)NN=Cc1ccc(C(=O)[O-])cc1	ZINC000254448786	642441918	/nfs/dbraw/zinc/44/19/18/642441918.db2.gz	KZUPPLAKFHNYDV-UHFFFAOYSA-N	-1	0	237.284	0.813	50	30		BCEARM
Cc1cccc(/C=N/Nc2nc(=O)cn[n-]2)c1	ZINC000015987479	259306632	/nfs/dbraw/zinc/30/66/32/259306632.db2.gz	PMAXFDXSMFJENZ-WUXMJOGZSA-N	-1	0	229.243	0.919	50	30		BCEARM
C[C@@]12CCCC[C@H]1N(O)C(=O)C(=O)N2O	ZINC000003876706	342738705	/nfs/dbraw/zinc/73/87/05/342738705.db2.gz	RGABPWWTSWRCKN-HZGVNTEJSA-N	-1	0	214.221	0.137	50	30		BCEARM
N#Cc1ccc(/C=C2\NC(=S)NC2=O)cc1	ZINC000000100642	398288931	/nfs/dbraw/zinc/28/89/31/398288931.db2.gz	KWSVIUYGNGTGLM-UITAMQMPSA-N	-1	0	229.264	0.903	50	30		BCEARM
CCOC(=O)/C(=N\[O-])c1csc(NC=O)n1	ZINC000016123520	136275182	/nfs/dbraw/zinc/27/51/82/136275182.db2.gz	XSMFAYHFIJWZLH-WDZFZDKYSA-N	-1	0	243.244	0.453	50	30		BCEARM
O=C1C(=O)N(O)[C@H]2CCCCC[C@H]2N1O	ZINC000016671255	343271040	/nfs/dbraw/zinc/27/10/40/343271040.db2.gz	BACKLXJBKJODFM-KNVOCYPGSA-N	-1	0	214.221	0.137	50	30		BCEARM
O=[N+]([O-])c1cccc(/C=N/n2cnnc2)c1[O-]	ZINC000038175417	343372448	/nfs/dbraw/zinc/37/24/48/343372448.db2.gz	GLFABWHYADZKJE-UUILKARUSA-N	-1	0	233.187	0.774	50	30		BCEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCO)c1	ZINC000019912898	343616086	/nfs/dbraw/zinc/61/60/86/343616086.db2.gz	FYTPLSUETGLIRO-UXBLZVDNSA-N	-1	0	210.189	0.712	50	30		BCEARM
CC1=CC[C@]2(C#N)C(=O)[N-]C(=O)[C@]2(C#N)C1	ZINC000004752140	347312301	/nfs/dbraw/zinc/31/23/01/347312301.db2.gz	DSDBUADJPKDBEX-WDEREUQCSA-N	-1	0	215.212	0.403	50	30		BCEARM
N#Cc1ccc(C(=O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000725261670	538087361	/nfs/dbraw/zinc/08/73/61/538087361.db2.gz	AZFIVNPBSUVRAN-UHFFFAOYSA-N	-1	0	220.140	0.734	50	30		BCEARM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])C(N)=O	ZINC000101554054	181025496	/nfs/dbraw/zinc/02/54/96/181025496.db2.gz	IBNPRTBRIYPXGJ-NTUHNPAUSA-N	-1	0	233.187	0.372	50	30		BCEARM
N#CCC(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000012650322	181033988	/nfs/dbraw/zinc/03/39/88/181033988.db2.gz	YPIBZYQUATZUOT-UHFFFAOYSA-N	-1	0	220.184	0.943	50	30		BCEARM
N#CCS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000003354135	181043817	/nfs/dbraw/zinc/04/38/17/181043817.db2.gz	YJGKMKJXCJYKNU-UHFFFAOYSA-N	-1	0	239.252	0.823	50	30		BCEARM
N#CC1=C([O-])C(=O)N(CCc2ccccc2)C1	ZINC000001685599	181061001	/nfs/dbraw/zinc/06/10/01/181061001.db2.gz	GBROGGSQPBFHTD-LLVKDONJSA-N	-1	0	228.251	0.780	50	30		BCEARM
N#CC1=C([O-])C(=O)N(Cc2ccccc2)C1	ZINC000004127669	181070038	/nfs/dbraw/zinc/07/00/38/181070038.db2.gz	DMHPNNXXUGTDAL-JTQLQIEISA-N	-1	0	214.224	0.738	50	30		BCEARM
N#Cc1nonc1[N-]Cn1nnc2ccccc21	ZINC000000265895	181177820	/nfs/dbraw/zinc/17/78/20/181177820.db2.gz	MQDAUNZCUNNEDZ-UHFFFAOYSA-N	-1	0	241.214	0.756	50	30		BCEARM
N/C(=N\[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000004389427	181181352	/nfs/dbraw/zinc/18/13/52/181181352.db2.gz	FEGKHGSXYTVOLO-UHFFFAOYSA-N	-1	0	249.186	0.739	50	30		BCEARM
NC(N)=NC(=O)c1cc(Cl)ccc1[O-]	ZINC000004087174	181322916	/nfs/dbraw/zinc/32/29/16/181322916.db2.gz	OKQSPTMRQPLNGM-UHFFFAOYSA-N	-1	0	213.624	0.459	50	30		BCEARM
O=C(NCCCO)/C(=N\[O-])c1ccccc1	ZINC000002253688	182169000	/nfs/dbraw/zinc/16/90/00/182169000.db2.gz	GCRAHQASLRNWBX-RAXLEYEMSA-N	-1	0	222.244	0.364	50	30		BCEARM
O=c1cn[n-]c(N/N=C/c2cccs2)n1	ZINC000015923631	183006581	/nfs/dbraw/zinc/00/65/81/183006581.db2.gz	JWZRAWWJPVPPST-RUDMXATFSA-N	-1	0	221.245	0.672	50	30		BCEARM
O=C([O-])c1ccc(C(=O)O[N+](=O)[O-])cc1	ZINC000068606037	384002069	/nfs/dbraw/zinc/00/20/69/384002069.db2.gz	ZHOUGSDVKRXJQL-UHFFFAOYSA-N	-1	0	211.129	0.733	50	30		BCEARM
COC(=O)N=S(=O)([O-])c1ccc(N)cc1	ZINC000002019346	383943188	/nfs/dbraw/zinc/94/31/88/383943188.db2.gz	VGPYEHKOIGNJKV-UHFFFAOYSA-N	-1	0	230.245	0.518	50	30	in-vitro	BCEARM
COc1cc(/C=N/O)c(OC)nc1OC	ZINC000078494352	384447338	/nfs/dbraw/zinc/44/73/38/384447338.db2.gz	CNEKLFYQSNZQJD-BJMVGYQFSA-N	-1	0	212.205	0.916	50	30		BCEARM
CCC(C)=NNc1nc(O)c(CC(=O)[O-])s1	ZINC000017242130	384484259	/nfs/dbraw/zinc/48/42/59/384484259.db2.gz	DFIQZUIFUUDGGC-XDELZERXSA-N	-1	0	243.288	0.835	50	30		BCEARM
COC(=O)c1ccccc1NC(=O)/C=N/[O-]	ZINC000100063463	384614659	/nfs/dbraw/zinc/61/46/59/384614659.db2.gz	QAVYRCRPJGELDP-IZZDOVSWSA-N	-1	0	222.200	0.872	50	30		BCEARM
N#CC(C#N)=NNc1ccc(O)c(C(=O)[O-])c1	ZINC000004557730	385285930	/nfs/dbraw/zinc/28/59/30/385285930.db2.gz	BWVICKKNBZDUEK-UHFFFAOYSA-N	-1	0	230.183	0.905	50	30		BCEARM
CO[N-]C(=O)[C@@H](C)ON=Cc1ccccc1O	ZINC000254826243	388370694	/nfs/dbraw/zinc/37/06/94/388370694.db2.gz	GPYNOKFPDRMSSW-MRVPVSSYSA-N	-1	0	238.243	0.809	50	30		BCEARM
CC1(C)CC(=O)C(=CNCCC(=O)[O-])C(=O)C1	ZINC000020113265	388755579	/nfs/dbraw/zinc/75/55/79/388755579.db2.gz	QJYHLRUCWBCQTG-UHFFFAOYSA-N	-1	0	239.271	0.893	50	30		BCEARM
Cn1c2ccccc2c([O-])c([N+](=O)[O-])c1=O	ZINC000005668813	132243109	/nfs/dbraw/zinc/24/31/09/132243109.db2.gz	UNWGBPXMJLXDOR-QMMMGPOBSA-N	-1	0	220.184	0.491	50	30		BCEARM
Cn1c2ccccc2c([O-])c([N+](=O)[O-])c1=O	ZINC000005668816	132243182	/nfs/dbraw/zinc/24/31/82/132243182.db2.gz	UNWGBPXMJLXDOR-MRVPVSSYSA-N	-1	0	220.184	0.491	50	30		BCEARM
C/N=C1\S[C@@H](CC(=O)[O-])C(=O)N1C	ZINC000016711361	397959568	/nfs/dbraw/zinc/95/95/68/397959568.db2.gz	JYCIIMYFSHYOEI-JMRMDATBSA-N	-1	0	202.235	0.021	50	30		BCEARM
C#CC(CC)(CC)NC(=O)/C=C\C(=O)[O-]	ZINC000100242741	166113073	/nfs/dbraw/zinc/11/30/73/166113073.db2.gz	PMPOSXZEVMBIBX-FPLPWBNLSA-N	-1	0	209.245	0.935	50	30		BCEARM
CNC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)cc1	ZINC000102099363	410815126	/nfs/dbraw/zinc/81/51/26/410815126.db2.gz	UUFISFFNUSKLKV-NSHDSACASA-N	-1	0	244.250	0.958	50	30		BCEARM
CCOC(=O)/C(=N\[O-])C(=O)C(F)(F)F	ZINC000002173245	170181022	/nfs/dbraw/zinc/18/10/22/170181022.db2.gz	ZQBIGESTMJGOAX-KMKOMSMNSA-N	-1	0	213.111	0.511	50	30		BCEARM
CCOC([O-])=NC(O)=C(C#N)C=NOC	ZINC000004039661	170241102	/nfs/dbraw/zinc/24/11/02/170241102.db2.gz	AXOYXSBGRJDLAN-XREMMQICSA-N	-1	0	213.193	0.031	50	30		BCEARM
CCOC(=O)c1cc(C)[n-]c(=O)c1C#N	ZINC000008612720	170291787	/nfs/dbraw/zinc/29/17/87/170291787.db2.gz	RJJRKBMJIICKDK-UHFFFAOYSA-N	-1	0	206.201	0.732	50	30		BCEARM
CO/N=C(\C(=O)[O-])c1cn2ccsc2n1	ZINC000000502456	173491903	/nfs/dbraw/zinc/49/19/03/173491903.db2.gz	FBSRQGPEZQJHDL-POHAHGRESA-N	-1	0	225.229	0.831	50	30		BCEARM
COCc1c(C#N)c(=O)[n-]c(C)c1[N+](=O)[O-]	ZINC000004064254	174113546	/nfs/dbraw/zinc/11/35/46/174113546.db2.gz	FUDSYZLJLJCJPH-ZCFIWIBFSA-N	-1	0	223.188	0.304	50	30		BCEARM
O=C([O-])c1ccccc1C=Nn1cnnc1	ZINC000252597903	526395109	/nfs/dbraw/zinc/39/51/09/526395109.db2.gz	CVZCGCSYDJLCKQ-UHFFFAOYSA-N	-1	0	216.200	0.859	50	30		BCEARM
Cc1ccc(-c2nc(NN)[n-]c(=O)c2C#N)cc1	ZINC000009720412	178315638	/nfs/dbraw/zinc/31/56/38/178315638.db2.gz	JNCGRDBGRUPTQW-UHFFFAOYSA-N	-1	0	241.254	0.903	50	30		BCEARM
O=C1C=C(S(=O)(=O)[O-])C(=O)c2ccccc21	ZINC000001553995	342702885	/nfs/dbraw/zinc/70/28/85/342702885.db2.gz	IAGVANYWTGRDOU-UHFFFAOYSA-N	-1	0	238.220	0.837	50	30		BCEARM
N#CCC(=O)NC(=O)C=C([O-])c1ccccc1	ZINC000002305000	398282641	/nfs/dbraw/zinc/28/26/41/398282641.db2.gz	AXWMJDLYFRBWNA-UHFFFAOYSA-N	-1	0	230.223	0.816	50	30		BCEARM
O=C(C=N[O-])Nc1ccc2c(c1)OCO2	ZINC000308513895	342852981	/nfs/dbraw/zinc/85/29/81/342852981.db2.gz	LVYDLZFUOFOSLJ-UHFFFAOYSA-N	-1	0	208.173	0.814	50	30		BCEARM
Cc1c(/C=N/[O-])[n+]([O-])c2ccccc2[n+]1[O-]	ZINC000044123869	343492211	/nfs/dbraw/zinc/49/22/11/343492211.db2.gz	UMNZFQZVTDTIMR-IZZDOVSWSA-N	-1	0	219.200	0.223	50	30		BCEARM
N#Cc1ccc(N2CCN(CC(=O)[O-])C2=O)cc1	ZINC000049582250	181115458	/nfs/dbraw/zinc/11/54/58/181115458.db2.gz	RFRNCOQQEILWFI-UHFFFAOYSA-N	-1	0	245.238	0.885	50	30		BCEARM
N#Cc1cn(-c2ccc(F)cc2F)c(=O)[n-]c1=O	ZINC000000169590	181161603	/nfs/dbraw/zinc/16/16/03/181161603.db2.gz	HAQDIXMDTPUJJD-UHFFFAOYSA-N	-1	0	249.176	0.676	50	30		BCEARM
CC(C)(O)C#Cc1cncc(C(=O)[O-])c1	ZINC000004299332	355353557	/nfs/dbraw/zinc/35/35/57/355353557.db2.gz	YHPRXKWSTJOFBT-UHFFFAOYSA-N	-1	0	205.213	0.902	50	30		BCEARM
CCC(C)=NNc1nc(O)c(CC(=O)[O-])s1	ZINC000252598954	363983501	/nfs/dbraw/zinc/98/35/01/363983501.db2.gz	DFIQZUIFUUDGGC-LURJTMIESA-N	-1	0	243.288	0.835	50	30		BCEARM
O=C1C=C(S(=O)(=O)[O-])[C@H]2C=CCC=C2C1=O	ZINC000002911498	371702278	/nfs/dbraw/zinc/70/22/78/371702278.db2.gz	IDDIXUIEQOQUOS-NKWVEPMBSA-N	-1	0	240.236	0.268	50	30		BCEARM
Cc1cc(=O)n(CCCO)c([O-])c1C#N	ZINC000003642171	372039046	/nfs/dbraw/zinc/03/90/46/372039046.db2.gz	FWHBDXDIMVJLNG-UHFFFAOYSA-N	-1	0	208.217	0.116	50	30		BCEARM
CO/N=C(/C(=O)[O-])c1cn2ccccc2n1	ZINC000000083403	383824840	/nfs/dbraw/zinc/82/48/40/383824840.db2.gz	YBSCLRJQPCGAQT-FMIVXFBMSA-N	-1	0	219.200	0.769	50	30		BCEARM
CO/N=C(/C(=O)[O-])c1csc(N)n1	ZINC000002167006	383954619	/nfs/dbraw/zinc/95/46/19/383954619.db2.gz	NLARCUDOUOQRPB-RUDMXATFSA-N	-1	0	201.207	0.160	50	30		BCEARM
CC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000002386628	383961089	/nfs/dbraw/zinc/96/10/89/383961089.db2.gz	ODSLGEVQHKOHHK-NSHDSACASA-N	-1	0	232.239	0.690	50	30		BCEARM
CC/C(C)=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1	ZINC000005234217	384107264	/nfs/dbraw/zinc/10/72/64/384107264.db2.gz	DFIQZUIFUUDGGC-BGOHJYOJSA-N	-1	0	243.288	0.835	50	30		BCEARM
CN1C/C(=N/[O-])c2sccc2S1(=O)=O	ZINC000100124755	384620010	/nfs/dbraw/zinc/62/00/10/384620010.db2.gz	PJVSHEYUKKVEEC-YVMONPNESA-N	-1	0	232.286	0.561	50	30		BCEARM
O=C(C=N[O-])Nc1ccc2c(c1)OCCO2	ZINC000254438420	388753095	/nfs/dbraw/zinc/75/30/95/388753095.db2.gz	RYGNABOONRGSDG-UHFFFAOYSA-N	-1	0	222.200	0.856	50	30		BCEARM
C=CCN(CC=C)C(=O)c1nn(C)cc1C(=O)[O-]	ZINC000020616230	166332576	/nfs/dbraw/zinc/33/25/76/166332576.db2.gz	BPLKUYNJRIUYJO-UHFFFAOYSA-N	-1	0	249.270	0.933	50	30		BCEARM
CCc1ccc(C([O-])=C(C#N)C(=O)NC)o1	ZINC000103508214	410901578	/nfs/dbraw/zinc/90/15/78/410901578.db2.gz	YCQJUJJNOOLJJC-QMMMGPOBSA-N	-1	0	220.228	0.910	50	30		BCEARM
CCNc1nc(OCC#N)[n-]c(=NOC)n1	ZINC000002294778	170177107	/nfs/dbraw/zinc/17/71/07/170177107.db2.gz	XELGQKNWWAGOFS-UHFFFAOYSA-N	-1	0	224.224	0.179	50	30		BCEARM
CCOC(=O)c1ccc(/C=N/[O-])[n+]([O-])c1	ZINC000016134215	170294492	/nfs/dbraw/zinc/29/44/92/170294492.db2.gz	RQFUANJXFYPPET-BJMVGYQFSA-N	-1	0	210.189	0.305	50	30		BCEARM
CN(C)N=Nc1[n-]nc(CC#N)c1C#N	ZINC000003766599	172353866	/nfs/dbraw/zinc/35/38/66/172353866.db2.gz	FAUGQKPWEVACET-BUHFOSPRSA-N	-1	0	203.209	0.908	50	30		BCEARM
COC(=O)/C(CC(=O)c1cccnc1)=N/[O-]	ZINC000088616762	173495076	/nfs/dbraw/zinc/49/50/76/173495076.db2.gz	XWTDDNYGJCQGHP-XYOKQWHBSA-N	-1	0	222.200	0.658	50	30		BCEARM
COCCCn1c([O-])cc(C)c(C#N)c1=O	ZINC000002144611	174266736	/nfs/dbraw/zinc/26/67/36/174266736.db2.gz	AIUFMENBEBFPGD-UHFFFAOYSA-N	-1	0	222.244	0.771	50	30		BCEARM
C[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000000057002	175764722	/nfs/dbraw/zinc/76/47/22/175764722.db2.gz	FAKRSMQSSFJEIM-NKWVEPMBSA-N	-1	0	217.290	0.628	50	30		BCEARM
COc1cccc(N=Nc2c(C)[n-][nH]c2=O)c1	ZINC000012575555	136208192	/nfs/dbraw/zinc/20/81/92/136208192.db2.gz	GAELNIUMSFVIFH-UHFFFAOYSA-N	-1	0	232.243	0.969	50	30		BCEARM
O=[N+]([O-])c1ccccc1CN=Nc1nnn[n-]1	ZINC000004065896	342741762	/nfs/dbraw/zinc/74/17/62/342741762.db2.gz	ZCDWMVKAOBBUKI-WEVVVXLNSA-N	-1	0	233.191	0.554	50	30		BCEARM
CC(C)(C)OC(=O)N[C@H](CC#N)C(=O)[O-]	ZINC000002560674	342724279	/nfs/dbraw/zinc/72/42/79/342724279.db2.gz	IVKMLPKBZQTAMQ-ZCFIWIBFSA-N	-1	0	214.221	0.878	50	30		BCEARM
C[C@@]12CCCC[C@@H]1N(O)C(=O)C(=O)N2O	ZINC000003876703	342738560	/nfs/dbraw/zinc/73/85/60/342738560.db2.gz	RGABPWWTSWRCKN-IMTBSYHQSA-N	-1	0	214.221	0.137	50	30		BCEARM
Cn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000026270616	343103244	/nfs/dbraw/zinc/10/32/44/343103244.db2.gz	MJJFAZWTUXEOPK-UHFFFAOYSA-N	-1	0	241.214	0.139	50	30		BCEARM
CC(N=Nc1nnn[n-]1)c1ccccc1O	ZINC000006292944	188102671	/nfs/dbraw/zinc/10/26/71/188102671.db2.gz	WGGOTVMZAVHBQE-POHAHGRESA-N	-1	0	218.220	0.741	50	30		BCEARM
C#C[C@](C)(CC)OC[C@@H](O)CS(=O)(=O)[O-]	ZINC000003070085	188106436	/nfs/dbraw/zinc/10/64/36/188106436.db2.gz	ACECXYRYJZCBLA-RKDXNWHRSA-N	-1	0	236.289	0.054	50	30		BCEARM
C=CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC000006440130	166378492	/nfs/dbraw/zinc/37/84/92/166378492.db2.gz	GNIYMSDHUQCLQC-HTQZYQBOSA-N	-1	0	214.265	0.971	50	30		BCEARM
CNc1nc2c(C)cccn2c(=O)c1C=NO	ZINC000252452357	363261266	/nfs/dbraw/zinc/26/12/66/363261266.db2.gz	DOTXKGHQDKOLIK-UHFFFAOYSA-N	-1	0	232.243	0.853	50	30		BCEARM
N#C/C(=N\[O-])C(=O)NC(=O)Cc1ccccc1	ZINC000000481097	181025454	/nfs/dbraw/zinc/02/54/54/181025454.db2.gz	UOXGMEKENCJAGX-NTEUORMPSA-N	-1	0	231.211	0.226	50	30		BCEARM
N#CC1=C([O-])C(=O)N(CCc2ccccc2)C1	ZINC000002045869	181070013	/nfs/dbraw/zinc/07/00/13/181070013.db2.gz	GBROGGSQPBFHTD-NSHDSACASA-N	-1	0	228.251	0.780	50	30		BCEARM
N#Cc1ccc([C@H]2CC(C(=O)[O-])=NC(=O)N2)cc1	ZINC000005517580	181130434	/nfs/dbraw/zinc/13/04/34/181130434.db2.gz	ILMRHVOUAXJTBC-SECBINFHSA-N	-1	0	243.222	0.881	50	30		BCEARM
N#Cc1cn(-c2ccccc2)c(=O)[n-]c1=O	ZINC000000166408	181161670	/nfs/dbraw/zinc/16/16/70/181161670.db2.gz	GRVPRICGTDBBHW-UHFFFAOYSA-N	-1	0	213.196	0.397	50	30		BCEARM
N#Cc1n[n-]c2cc(-c3ccccc3)nn2c1=O	ZINC000100025383	181166948	/nfs/dbraw/zinc/16/69/48/181166948.db2.gz	NFUJOZSINKYODW-UHFFFAOYSA-N	-1	0	237.222	0.956	50	30		BCEARM
C=C(C)C(=O)OCCOC(=O)/C=C/C(=O)[O-]	ZINC000005158196	355355407	/nfs/dbraw/zinc/35/54/07/355355407.db2.gz	HSFXEOPJXMFQHG-ONEGZZNKSA-N	-1	0	228.200	0.290	50	30		BCEARM
O=[N+]([O-])c1ccc(/C=N/n2cnnc2)c([O-])c1	ZINC000006220318	357192615	/nfs/dbraw/zinc/19/26/15/357192615.db2.gz	CXBZRLNVUXNGDA-UUILKARUSA-N	-1	0	233.187	0.774	50	30		BCEARM
NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000000101055	181317580	/nfs/dbraw/zinc/31/75/80/181317580.db2.gz	MJMFGGYKUSTJSO-ONNFQVAWSA-N	-1	0	240.244	0.468	50	30		BCEARM
CC(=O)CC(C)=Nn1c(=O)c(C)n[n-]c1=S	ZINC000252628934	364377090	/nfs/dbraw/zinc/37/70/90/364377090.db2.gz	TVBODYVADLCKIM-UHFFFAOYSA-N	-1	0	240.288	0.439	50	30		BCEARM
N#CC(=N[O-])C(=O)NC(=O)Cc1ccccc1	ZINC000252629855	364386939	/nfs/dbraw/zinc/38/69/39/364386939.db2.gz	UOXGMEKENCJAGX-UHFFFAOYSA-N	-1	0	231.211	0.226	50	30		BCEARM
CC(=O)OCCn1c([O-])c(C#N)c(C)cc1=O	ZINC000136444069	368389684	/nfs/dbraw/zinc/38/96/84/368389684.db2.gz	ZYXBIQIYHRTPEG-UHFFFAOYSA-N	-1	0	236.227	0.297	50	30		BCEARM
CC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000002572689	371596381	/nfs/dbraw/zinc/59/63/81/371596381.db2.gz	ODSLGEVQHKOHHK-LLVKDONJSA-N	-1	0	232.239	0.690	50	30		BCEARM
O=c1cn[n-]c(N/N=C/c2ccc(O)cc2)n1	ZINC000003901916	183006443	/nfs/dbraw/zinc/00/64/43/183006443.db2.gz	XODWAHFSLQEQHL-VZUCSPMQSA-N	-1	0	231.215	0.317	50	30		BCEARM
O=c1cn[n-]c(N/N=C/[C@@H]2CC=CCC2)n1	ZINC000013543948	183006764	/nfs/dbraw/zinc/00/67/64/183006764.db2.gz	IAJFBHSFXIFFDV-JMUHATKESA-N	-1	0	219.248	0.919	50	30		BCEARM
Oc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000003897268	183267623	/nfs/dbraw/zinc/26/76/23/183267623.db2.gz	KHEWKNZODDGTAV-WEVVVXLNSA-N	-1	0	204.193	0.351	50	30		BCEARM
CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000097048787	169334018	/nfs/dbraw/zinc/33/40/18/169334018.db2.gz	CWCHVHMCLBCSLE-UHFFFAOYSA-N	-1	0	228.277	0.742	50	30		BCEARM
O=C(/C=N/[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000001510451	383902724	/nfs/dbraw/zinc/90/27/24/383902724.db2.gz	XWMYPUUJFYYBFL-WEVVVXLNSA-N	-1	0	209.161	0.993	50	30		BCEARM
C[C@]12CCCC[C@H]1N(O)C(=O)C(=O)N2O	ZINC000003876708	384031526	/nfs/dbraw/zinc/03/15/26/384031526.db2.gz	RGABPWWTSWRCKN-MUWHJKNJSA-N	-1	0	214.221	0.137	50	30		BCEARM
CC/C(C)=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1	ZINC000005482076	384119092	/nfs/dbraw/zinc/11/90/92/384119092.db2.gz	DFIQZUIFUUDGGC-KJEDMFHHSA-N	-1	0	243.288	0.835	50	30		BCEARM
O=C([O-])/C=N/n1nnnc1Nc1ccccc1	ZINC000004358545	384330822	/nfs/dbraw/zinc/33/08/22/384330822.db2.gz	IEVMWKXYZWWWAH-UXBLZVDNSA-N	-1	0	232.203	0.335	50	30		BCEARM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(Cl)cc1	ZINC000022779853	384777614	/nfs/dbraw/zinc/77/76/14/384777614.db2.gz	IQIGLQWFVDTQLA-VZUCSPMQSA-N	-1	0	238.634	0.400	50	30		BCEARM
O=C([O-])CCCNC=C1C(=O)CCCC1=O	ZINC000100249816	386728514	/nfs/dbraw/zinc/72/85/14/386728514.db2.gz	FXOVCAFZNWZFPW-UHFFFAOYSA-N	-1	0	225.244	0.647	50	30		BCEARM
C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O	ZINC000003830347	386781987	/nfs/dbraw/zinc/78/19/87/386781987.db2.gz	UZVHFVZFNXBMQJ-UHFFFAOYSA-N	-1	0	224.260	0.961	50	30	fda	BCEARM
C/C(=N/NC(N)=S)C(C)(C)CC(=O)[O-]	ZINC000009209381	388423019	/nfs/dbraw/zinc/42/30/19/388423019.db2.gz	DRJKTVBFSLVFQX-YHYXMXQVSA-N	-1	0	217.294	0.696	50	30		BCEARM
C#C[C@@](C)(CC)OC[C@H](O)CS(=O)(=O)[O-]	ZINC000003070084	166214120	/nfs/dbraw/zinc/21/41/20/166214120.db2.gz	ACECXYRYJZCBLA-IUCAKERBSA-N	-1	0	236.289	0.054	50	30		BCEARM
C=CCN(CC(=O)[O-])C(=O)c1ccnn1C	ZINC000086138039	166327083	/nfs/dbraw/zinc/32/70/83/166327083.db2.gz	JPTIRZJSIRPPOF-UHFFFAOYSA-N	-1	0	223.232	0.133	50	30		BCEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccoc2)C1=O	ZINC000004576826	166350985	/nfs/dbraw/zinc/35/09/85/166350985.db2.gz	SCEHSLJXNLGIDD-TWGQIWQCSA-N	-1	0	246.222	0.927	50	30		BCEARM
C=CCNC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000002430769	166380619	/nfs/dbraw/zinc/38/06/19/166380619.db2.gz	KMURLFZNLYEABQ-ZETCQYMHSA-N	-1	0	200.238	0.581	50	30		BCEARM
CC1=CC[C@@]2(C#N)C(=O)[N-]C(=O)[C@@]2(C#N)C1	ZINC000000493793	168120167	/nfs/dbraw/zinc/12/01/67/168120167.db2.gz	DSDBUADJPKDBEX-MNOVXSKESA-N	-1	0	215.212	0.403	50	30		BCEARM
CCN=C1NN=C(C(=NOC)C(=O)[O-])CS1	ZINC000000197671	170108657	/nfs/dbraw/zinc/10/86/57/170108657.db2.gz	HZXISCYMBJUSMV-SDQBBNPISA-N	-1	0	244.276	0.142	50	30		BCEARM
CCOC(=O)c1cc(C#N)c(=O)[n-]c1C	ZINC000033604894	170291142	/nfs/dbraw/zinc/29/11/42/170291142.db2.gz	FCPREFULXHVXGA-UHFFFAOYSA-N	-1	0	206.201	0.732	50	30		BCEARM
CCOC(=O)c1ccc(/C=N\[O-])[n+]([O-])c1	ZINC000100325771	170294691	/nfs/dbraw/zinc/29/46/91/170294691.db2.gz	RQFUANJXFYPPET-YHYXMXQVSA-N	-1	0	210.189	0.305	50	30		BCEARM
CO/N=C(\C(=O)[O-])c1csc(N)n1	ZINC000002167008	173491355	/nfs/dbraw/zinc/49/13/55/173491355.db2.gz	NLARCUDOUOQRPB-WTKPLQERSA-N	-1	0	201.207	0.160	50	30	in-vitro	BCEARM
COCc1c(C#N)c(=O)[n-]c(C)c1[N+](=O)[O-]	ZINC000004064256	174113724	/nfs/dbraw/zinc/11/37/24/174113724.db2.gz	FUDSYZLJLJCJPH-LURJTMIESA-N	-1	0	223.188	0.304	50	30		BCEARM
COCc1cc(C)n(CC(=O)[O-])c(=O)c1C#N	ZINC000000336359	174618302	/nfs/dbraw/zinc/61/83/02/174618302.db2.gz	WHTISUHSZYGVJQ-UHFFFAOYSA-N	-1	0	236.227	0.259	50	30		BCEARM
COc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000003898309	175048893	/nfs/dbraw/zinc/04/88/93/175048893.db2.gz	WYOYPACODYUFPT-UXBLZVDNSA-N	-1	0	218.220	0.654	50	30		BCEARM
CCOC(=O)/C=C\C(=N[O-])C(=O)OCC	ZINC000252605639	520403110	/nfs/dbraw/zinc/40/31/10/520403110.db2.gz	GLBWGBBRYJWTFT-WONFBAJKSA-N	-1	0	215.205	0.499	50	30		BCEARM