smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=N[N-]c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1	ZINC000004018729	181063039	/nfs/dbraw/zinc/06/30/39/181063039.db2.gz	OSHRTFTVBXNDGC-UHFFFAOYSA-N	-1	0	321.205	0.298	50	30		DCEARM
O=C(C1=C(O)C(=O)O[C@]12C(=O)[N-]C(=O)NC2=O)c1ccccc1	ZINC000004170983	181082152	/nfs/dbraw/zinc/08/21/52/181082152.db2.gz	QNHFQPLBSRKWOO-UHFFFAOYSA-N	-1	0	316.225	0.183	50	30		DCEARM
C=CCN1C(=O)[N-]C(=O)C(=C(CC)NC[C@H]2CCCO2)C1=O	ZINC000001278678	395680804	/nfs/dbraw/zinc/68/08/04/395680804.db2.gz	VKGPQZYYGJNDLU-PJSNMCHCSA-N	-1	0	307.350	0.684	50	30		DCEARM
N#Cc1cccnc1N1CCN(C(=O)CSCC(=O)[O-])CC1	ZINC000000151337	415125428	/nfs/dbraw/zinc/12/54/28/415125428.db2.gz	HRBMNWBPZFURPQ-UHFFFAOYSA-N	-1	0	320.374	0.420	50	30		DCEARM
C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000004099735	415130552	/nfs/dbraw/zinc/13/05/52/415130552.db2.gz	BZHVGNCPPJLVLZ-WUGLTUCPSA-N	-1	0	307.346	0.834	50	30		DCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(c3ccc(C)nn3)C[C@H]2C1=O	ZINC000072481027	191180659	/nfs/dbraw/zinc/18/06/59/191180659.db2.gz	FQHJTDSYFLVMKO-XHDPSFHLSA-N	-1	0	302.334	0.320	50	30		DCEARM
CS(=O)(=O)c1cccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000026274659	182436027	/nfs/dbraw/zinc/43/60/27/182436027.db2.gz	MAWNJYXNRSYUES-UHFFFAOYSA-N	-1	0	315.314	0.809	50	30		DCEARM
O=C1[N-]C(=O)C(=NNc2cccc(C(F)(F)F)c2)C(=O)N1	ZINC000006414399	395682969	/nfs/dbraw/zinc/68/29/69/395682969.db2.gz	OHFJZWXMKGMCBT-UHFFFAOYSA-N	-1	0	300.196	0.839	50	30		DCEARM
C#CCNC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000051440602	395850303	/nfs/dbraw/zinc/85/03/03/395850303.db2.gz	ATWISECVSZOTPK-UHFFFAOYSA-N	-1	0	316.342	0.477	50	30		DCEARM
N#Cc1cccnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000065423249	395993212	/nfs/dbraw/zinc/99/32/12/395993212.db2.gz	HNQNVXUDCANIRB-LBPRGKRZSA-N	-1	0	314.345	0.855	50	30		DCEARM
N#Cc1cn(CC(=O)NCC2(c3ccccc3)CC2)c(=O)[n-]c1=O	ZINC000585132175	416519965	/nfs/dbraw/zinc/51/99/65/416519965.db2.gz	QCFPDLXVMPEIJA-UHFFFAOYSA-N	-1	0	324.340	0.669	50	30		DCEARM
CC(C)(O)C#Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])o1	ZINC000072139140	278635422	/nfs/dbraw/zinc/63/54/22/278635422.db2.gz	FGDILEYBJMEXHF-LLVKDONJSA-N	-1	0	321.329	0.718	50	30		DCEARM
CCOC(=O)c1ccc(NN=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000000059126	331458753	/nfs/dbraw/zinc/45/87/53/331458753.db2.gz	QFMXDCRJVYJMGY-UHFFFAOYSA-N	-1	0	320.330	0.162	50	30		DCEARM
C=CCCCS(=O)(=O)[N-]c1cccnc1S(N)(=O)=O	ZINC000585129776	766290820	/nfs/dbraw/zinc/29/08/20/766290820.db2.gz	VZAJFEZVQRBCLH-UHFFFAOYSA-N	-1	0	305.381	0.437	50	30		DCEARM
C=CCN1C(=O)[N-]C(=O)C(=C(CC)NC[C@@H]2CCCO2)C1=O	ZINC000001278680	395680829	/nfs/dbraw/zinc/68/08/29/395680829.db2.gz	VKGPQZYYGJNDLU-IUZMTQGWSA-N	-1	0	307.350	0.684	50	30		DCEARM
Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])n1N	ZINC000038170957	395731350	/nfs/dbraw/zinc/73/13/50/395731350.db2.gz	FQQVRZZGIDGDAV-UUILKARUSA-N	-1	0	322.241	0.268	50	30		DCEARM
C[C@@H](C(=O)[N-]S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1	ZINC000054425271	395899801	/nfs/dbraw/zinc/89/98/01/395899801.db2.gz	PXVCJMGBEUNDQC-ZETCQYMHSA-N	-1	0	309.340	0.904	50	30		DCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O	ZINC000101239064	415593330	/nfs/dbraw/zinc/59/33/30/415593330.db2.gz	UNOYCHUWZQHCNG-LLVKDONJSA-N	-1	0	312.329	0.867	50	30		DCEARM
COc1cc(/C=N/Nc2nc(=O)c(C)n[n-]2)cc(OC)c1O	ZINC000009636029	395685403	/nfs/dbraw/zinc/68/54/03/395685403.db2.gz	UDPAAUZNMIUCPL-MKMNVTDBSA-N	-1	0	305.294	0.642	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000283243	395680157	/nfs/dbraw/zinc/68/01/57/395680157.db2.gz	NGDGUEBOYDSBLW-GFCCVEGCSA-N	-1	0	320.257	0.964	50	30		DCEARM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000252446458	416334546	/nfs/dbraw/zinc/33/45/46/416334546.db2.gz	UPJNQIZXZUCZOC-QWRGUYRKSA-N	-1	0	303.384	0.652	50	30		DCEARM
Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088376678	301488560	/nfs/dbraw/zinc/48/85/60/301488560.db2.gz	KHRCSBUWVGJULR-LLVKDONJSA-N	-1	0	310.331	0.341	50	30		DCEARM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037838135	285045164	/nfs/dbraw/zinc/04/51/64/285045164.db2.gz	UPJNQIZXZUCZOC-GHMZBOCLSA-N	-1	0	303.384	0.652	50	30		DCEARM
CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1(C)C	ZINC000159638300	396069486	/nfs/dbraw/zinc/06/94/86/396069486.db2.gz	MEGWYJUCAAKNQY-WDEREUQCSA-N	-1	0	300.380	0.987	50	30		DCEARM
Cc1ncc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N	ZINC000261600374	158721072	/nfs/dbraw/zinc/72/10/72/158721072.db2.gz	ABZIJOYSMVHECL-PRHODGIISA-N	-1	0	309.347	0.603	50	30		DCEARM
C=CCn1c(=O)c2ccc(C(=O)NCCO)cc2[n-]c1=S	ZINC000104941117	415627760	/nfs/dbraw/zinc/62/77/60/415627760.db2.gz	JGBWHGRPCVJBLQ-UHFFFAOYSA-N	-1	0	305.359	0.593	50	30		DCEARM
CC1=NN(C(N)=S)C(=O)C1=NNc1ccccc1C(=O)[O-]	ZINC000100005905	415589208	/nfs/dbraw/zinc/58/92/08/415589208.db2.gz	ZMQITUZQMWFDLL-OQLLNIDSSA-N	-1	0	305.319	0.614	50	30		DCEARM
COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000170594567	416026823	/nfs/dbraw/zinc/02/68/23/416026823.db2.gz	AATWVBKNORWNPE-UHFFFAOYSA-N	-1	0	322.342	0.837	50	30		DCEARM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC000585131092	416520323	/nfs/dbraw/zinc/52/03/23/416520323.db2.gz	LPFKBJAXKSPKTB-LLVKDONJSA-N	-1	0	312.329	0.740	50	30		DCEARM
COc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1O	ZINC000006457885	181342790	/nfs/dbraw/zinc/34/27/90/181342790.db2.gz	AIBNZHQZRLPEFS-GCIHHOABSA-N	-1	0	323.330	0.797	50	30		DCEARM
O=C1CNC(/N=C(\[O-])c2cccn(Cc3ccccc3)c2=O)=N1	ZINC000058317084	184104711	/nfs/dbraw/zinc/10/47/11/184104711.db2.gz	GBVRZIKRTOPQCQ-UHFFFAOYSA-N	-1	0	310.313	0.687	50	30		DCEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc(C)[nH]c2=O)C1	ZINC000091586569	193075257	/nfs/dbraw/zinc/07/52/57/193075257.db2.gz	UJUXDVLDJOKVOM-INIZCTEOSA-N	-1	0	319.361	0.890	50	30		DCEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCS(N)(=O)=O)C1	ZINC000091690144	193092370	/nfs/dbraw/zinc/09/23/70/193092370.db2.gz	XLHBWPLUMAQGKK-CYBMUJFWSA-N	-1	0	318.395	0.325	50	30		DCEARM
C=CCC1(Cc2ccc(C(=O)[O-])cc2)C(=O)NC(=N)NC1=O	ZINC000000389087	257262548	/nfs/dbraw/zinc/26/25/48/257262548.db2.gz	PRFVVAUEKOTFRE-UHFFFAOYSA-N	-1	0	301.302	0.671	50	30		DCEARM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000195573219	395832336	/nfs/dbraw/zinc/83/23/36/395832336.db2.gz	RGEXEDIRGQXGEV-UHFFFAOYSA-N	-1	0	306.351	0.699	50	30		DCEARM
O=C([O-])C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000020548307	415154701	/nfs/dbraw/zinc/15/47/01/415154701.db2.gz	IGXNOOKXQVDIGZ-QMMMGPOBSA-N	-1	0	318.314	0.405	50	30		DCEARM
C=CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1	ZINC000262109387	527549647	/nfs/dbraw/zinc/54/96/47/527549647.db2.gz	IHZIDTPTPZYJFH-SECBINFHSA-N	-1	0	313.331	0.793	50	30		DCEARM
COc1ccc([N+](=O)[O-])cc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000002133486	395681331	/nfs/dbraw/zinc/68/13/31/395681331.db2.gz	URZCRUBCXRNPDF-UHFFFAOYSA-N	-1	0	307.222	0.578	50	30		DCEARM
CC1=C2C(=NC([O-])=C(C#N)[C@@]23c2cc(C)ccc2NC3=O)NN1	ZINC000585145663	396642248	/nfs/dbraw/zinc/64/22/48/396642248.db2.gz	SUUULCGIEGQWEG-QFYYESIMSA-N	-1	0	307.313	0.645	50	30		DCEARM
Cc1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000235834335	261155162	/nfs/dbraw/zinc/15/51/62/261155162.db2.gz	JCJFHSCJGGVNNI-GFCCVEGCSA-N	-1	0	310.331	0.341	50	30		DCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CC(F)(F)F)C[C@H]2C1=O	ZINC000072454205	277861846	/nfs/dbraw/zinc/86/18/46/277861846.db2.gz	NTSNMUJBKKCJRQ-QPUJVOFHSA-N	-1	0	320.267	0.496	50	30		DCEARM
COc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)C2CC2)cc1	ZINC000048584818	524996705	/nfs/dbraw/zinc/99/67/05/524996705.db2.gz	AZKHHALCJKTRQD-UHFFFAOYSA-N	-1	0	312.347	0.867	50	30		DCEARM
CCOC(=O)c1nc(S(=O)(=O)NCC#N)c2ccccn21	ZINC000952994536	685603594	/nfs/dbraw/zinc/60/35/94/685603594.db2.gz	QSUQLSYDRQYUBH-UHFFFAOYSA-N	-1	0	308.319	0.313	50	30		DCEARM
N#Cc1ccccc1CSCCNC(=O)c1n[nH]c(=O)[n-]1	ZINC000040554205	183101169	/nfs/dbraw/zinc/10/11/69/183101169.db2.gz	DQWHIJGUGOTOAI-UHFFFAOYSA-N	-1	0	303.347	0.633	50	30		DCEARM
N#Cc1cccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c1	ZINC000013878668	395689023	/nfs/dbraw/zinc/68/90/23/395689023.db2.gz	WDQPEOQKRDQGFP-UHFFFAOYSA-N	-1	0	303.303	0.473	50	30		DCEARM
O=C([O-])C[C@H]1S[C@@H](N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O	ZINC000003038113	395682237	/nfs/dbraw/zinc/68/22/37/395682237.db2.gz	LJWQIRVUYJHFLW-FBAXYRFYSA-N	-1	0	324.318	0.508	50	30		DCEARM
O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1ccc(C#CCO)cc1)C2	ZINC001704325745	1179974070	/nfs/dbraw/zinc/97/40/70/1179974070.db2.gz	MRJSWGYNFYYOMA-CALCHBBNSA-N	-1	0	315.325	0.392	50	30		DCEARM
Cc1cc(C)n2nc(S(=O)(=O)[N-][C@](C)(C#N)C(C)C)nc2n1	ZINC000000036828	180674187	/nfs/dbraw/zinc/67/41/87/180674187.db2.gz	HKRKERHLHFPQOA-CYBMUJFWSA-N	-1	0	322.394	0.958	50	30		DCEARM
CS(=O)(=O)n1[n-]c(=N)c(N=Nc2ccc(Cl)cc2)c1N	ZINC000004478179	181112202	/nfs/dbraw/zinc/11/22/02/181112202.db2.gz	COWNXPAONXKIBX-YBPNIDACSA-N	-1	0	314.758	0.842	50	30		DCEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCS(N)(=O)=O)C1	ZINC000091690142	193090927	/nfs/dbraw/zinc/09/09/27/193090927.db2.gz	XLHBWPLUMAQGKK-ZDUSSCGKSA-N	-1	0	318.395	0.325	50	30		DCEARM
O=C1[N-]C(=O)C(=NNc2ccc(Br)cc2)C(=O)N1	ZINC000002819815	395681999	/nfs/dbraw/zinc/68/19/99/395681999.db2.gz	BVOJPPCMHBIQIB-UHFFFAOYSA-N	-1	0	311.095	0.583	50	30		DCEARM
C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000585140566	396641574	/nfs/dbraw/zinc/64/15/74/396641574.db2.gz	HFFNNWJSWDOEKM-LLVKDONJSA-N	-1	0	304.350	0.859	50	30		DCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC3)C[C@H]2C1=O	ZINC000072407574	334882436	/nfs/dbraw/zinc/88/24/36/334882436.db2.gz	XZGRMDQNQCNIQJ-BLLLJJGKSA-N	-1	0	306.362	0.734	50	30		DCEARM
COc1cc(C=NNc2[nH]c(=O)nnc2C)cc([N+](=O)[O-])c1[O-]	ZINC000013638550	395688791	/nfs/dbraw/zinc/68/87/91/395688791.db2.gz	XXAVQJFXFMQFLB-WLRTZDKTSA-N	-1	0	320.265	0.542	50	30		DCEARM
Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])n1N	ZINC000252603414	396023022	/nfs/dbraw/zinc/02/30/22/396023022.db2.gz	FQQVRZZGIDGDAV-UHFFFAOYSA-N	-1	0	322.241	0.268	50	30		DCEARM
N#Cc1ncccc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000593329612	397352482	/nfs/dbraw/zinc/35/24/82/397352482.db2.gz	ZDFNJTBSNITMRC-LLVKDONJSA-N	-1	0	314.345	0.855	50	30		DCEARM
COc1cc([N+](=O)[O-])cc(/C=N/CCCNC(=O)/C=N/O)c1[O-]	ZINC000027519345	415171781	/nfs/dbraw/zinc/17/17/81/415171781.db2.gz	YNLVXMAZGBOXCO-GVEGSRHVSA-N	-1	0	324.293	0.694	50	30		DCEARM
N#Cc1nc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)[n-]c1C#N	ZINC000026275005	182435961	/nfs/dbraw/zinc/43/59/61/182435961.db2.gz	GEDJCLLNOBTKLV-UHFFFAOYSA-N	-1	0	319.284	0.571	50	30		DCEARM
O=C([O-])C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000020548309	415153093	/nfs/dbraw/zinc/15/30/93/415153093.db2.gz	IGXNOOKXQVDIGZ-MRVPVSSYSA-N	-1	0	318.314	0.405	50	30		DCEARM
CS(=O)(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000026274190	295556068	/nfs/dbraw/zinc/55/60/68/295556068.db2.gz	JSFJNMMAPXYKAF-UHFFFAOYSA-N	-1	0	315.314	0.809	50	30		DCEARM
CC(C)(O)C#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)o1	ZINC001506405820	1017255240	/nfs/dbraw/zinc/25/52/40/1017255240.db2.gz	OAGLZIDWUZQQBN-UHFFFAOYSA-N	-1	0	321.329	0.766	50	30		DCEARM
C=C(C)Cn1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000003892312	181052758	/nfs/dbraw/zinc/05/27/58/181052758.db2.gz	YXEOKGQDWUHPBH-UHFFFAOYSA-N	-1	0	324.362	0.566	50	30		DCEARM
C=CCn1c(SCCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000000287491	395680237	/nfs/dbraw/zinc/68/02/37/395680237.db2.gz	QYEJYFSOLCLUED-UHFFFAOYSA-N	-1	0	324.362	0.187	50	30		DCEARM
C#CCNC(=O)CCc1nnc(-c2cccc(OC)c2)[n-]c1=O	ZINC000034764621	395718014	/nfs/dbraw/zinc/71/80/14/395718014.db2.gz	VWAQLCYSLJRAOM-UHFFFAOYSA-N	-1	0	312.329	0.935	50	30		DCEARM
CS(=O)(=O)[N-]C(=O)C1CCN(c2ccc(C#N)cn2)CC1	ZINC000040543925	395734364	/nfs/dbraw/zinc/73/43/64/395734364.db2.gz	UGUQUNAXGOFBCV-UHFFFAOYSA-N	-1	0	308.363	0.245	50	30		DCEARM
CC1=C2C(=NC([O-])=C(C#N)[C@]23c2cc(C)ccc2NC3=O)NN1	ZINC000585145664	396642265	/nfs/dbraw/zinc/64/22/65/396642265.db2.gz	SUUULCGIEGQWEG-QLJPJBMISA-N	-1	0	307.313	0.645	50	30		DCEARM
N#CCc1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000619471386	397135452	/nfs/dbraw/zinc/13/54/52/397135452.db2.gz	LOPILICUIOZWDZ-LBPRGKRZSA-N	-1	0	310.331	0.227	50	30		DCEARM
C/C(=N/N=C1\NC(=O)C(C(=O)[O-])S1)c1ccc2c(c1)OCO2	ZINC000004694902	181137612	/nfs/dbraw/zinc/13/76/12/181137612.db2.gz	OPPMGWGWHCECHX-WRCICQQISA-N	-1	0	321.314	0.812	50	30		DCEARM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)SC)CC1	ZINC000078411347	191860060	/nfs/dbraw/zinc/86/00/60/191860060.db2.gz	RXLAZLDAAWVCGD-QMMMGPOBSA-N	-1	0	324.424	0.824	50	30		DCEARM
CC(C)CN1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1=O	ZINC000030113623	395701385	/nfs/dbraw/zinc/70/13/85/395701385.db2.gz	LRJPKLNWNHSZET-SECBINFHSA-N	-1	0	300.322	0.596	50	30		DCEARM
CC(=O)Nc1c(N=Nc2ccc(Cl)cc2)c(=O)[n-]n1C(C)=O	ZINC000005829635	415133842	/nfs/dbraw/zinc/13/38/42/415133842.db2.gz	WCQJKFYPRQRFAR-GUQJGMNRSA-N	-1	0	321.724	0.946	50	30		DCEARM
CO[C@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)[C@H]1CCOC1	ZINC000594719313	416566852	/nfs/dbraw/zinc/56/68/52/416566852.db2.gz	AFKWLQCFOWRQLP-WCBMZHEXSA-N	-1	0	317.392	0.808	50	30		DCEARM
CCCCCCCNC(=O)C(C#N)=N[N-]c1nc[nH]c1C(N)=O	ZINC000008385543	520051982	/nfs/dbraw/zinc/05/19/82/520051982.db2.gz	WBDMAMRYMDUEAE-KEBDBYFISA-N	-1	0	319.369	0.887	50	30		DCEARM
Cc1c(C=NNc2ccc(C(=O)[O-])cc2)c(=O)n(C)c(=O)n1C	ZINC000004551250	181124146	/nfs/dbraw/zinc/12/41/46/181124146.db2.gz	DYEFJGHQJUZVEB-LZYBPNLTSA-N	-1	0	316.317	0.537	50	30		DCEARM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)SC)CC1	ZINC000078411351	396245088	/nfs/dbraw/zinc/24/50/88/396245088.db2.gz	RXLAZLDAAWVCGD-MRVPVSSYSA-N	-1	0	324.424	0.824	50	30		DCEARM
CC1=NN(C(N)=S)C(=O)C1=NNc1ccccc1C(=O)[O-]	ZINC000101387717	281699632	/nfs/dbraw/zinc/69/96/32/281699632.db2.gz	ZMQITUZQMWFDLL-DHDCSXOGSA-N	-1	0	305.319	0.614	50	30		DCEARM
CN1C(=O)c2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc2C1=O	ZINC000026268567	289859046	/nfs/dbraw/zinc/85/90/46/289859046.db2.gz	AKPYNIAUMQUHHK-UHFFFAOYSA-N	-1	0	320.268	0.631	50	30		DCEARM
C=CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1	ZINC000262647758	527550598	/nfs/dbraw/zinc/55/05/98/527550598.db2.gz	RFMRHDYAWBGWNM-SNVBAGLBSA-N	-1	0	324.358	0.595	50	30		DCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1	ZINC000091951299	193130678	/nfs/dbraw/zinc/13/06/78/193130678.db2.gz	LXXOOYHBAKWRNV-ABKXIKBNSA-N	-1	0	301.346	0.788	50	30		DCEARM
Cn1cc(C#N)cc1-c1nc([C@H]2CCOC2)nn1CC(=O)[O-]	ZINC000097212987	193691625	/nfs/dbraw/zinc/69/16/25/193691625.db2.gz	KBHROELUULPKHM-JTQLQIEISA-N	-1	0	301.306	0.744	50	30		DCEARM
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000299744489	296209515	/nfs/dbraw/zinc/20/95/15/296209515.db2.gz	SOLUDMULPOJYBF-PWSUYJOCSA-N	-1	0	304.302	0.638	50	30		DCEARM
C[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000585140568	396641358	/nfs/dbraw/zinc/64/13/58/396641358.db2.gz	HFFNNWJSWDOEKM-NSHDSACASA-N	-1	0	304.350	0.859	50	30		DCEARM
C=CCn1cc(-c2cn(CCc3n[nH]c(=O)[n-]3)nn2)c(C)n1	ZINC000091829958	193114325	/nfs/dbraw/zinc/11/43/25/193114325.db2.gz	ZSKLKAOOZGIYQC-UHFFFAOYSA-N	-1	0	300.326	0.290	50	30		DCEARM
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000299744491	296209533	/nfs/dbraw/zinc/20/95/33/296209533.db2.gz	SOLUDMULPOJYBF-ZYHUDNBSSA-N	-1	0	304.302	0.638	50	30		DCEARM
CC(=NNc1ccc([N+](=O)[O-])cc1)C1C(=O)[N-]C(=O)NC1=O	ZINC000013688915	395688839	/nfs/dbraw/zinc/68/88/39/395688839.db2.gz	FZBGLEXQXWUSOX-UUASQNMZSA-N	-1	0	305.250	0.513	50	30		DCEARM
COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])ccc1O	ZINC000000034958	395679754	/nfs/dbraw/zinc/67/97/54/395679754.db2.gz	NBEPJOSSISDUCN-CYBMUJFWSA-N	-1	0	321.285	0.770	50	30	biogenic	DCEARM
O=C([O-])C[C@H]1S/C(=N\N=C\c2ccc3c(c2)OCO3)NC1=O	ZINC000002284635	395681405	/nfs/dbraw/zinc/68/14/05/395681405.db2.gz	XXOQUKWFUJCYFV-UAYPQDMZSA-N	-1	0	321.314	0.812	50	30		DCEARM
CCCCCCCNC(=O)C(C#N)=N[N-]c1nc[nH]c1C(N)=O	ZINC000252633176	396023539	/nfs/dbraw/zinc/02/35/39/396023539.db2.gz	WBDMAMRYMDUEAE-UHFFFAOYSA-N	-1	0	319.369	0.887	50	30		DCEARM
CC1=C2C(=NC([O-])=C(C#N)[C@@]23c2cc(C)ccc2NC3=O)NN1	ZINC000585145661	396642148	/nfs/dbraw/zinc/64/21/48/396642148.db2.gz	SUUULCGIEGQWEG-HWPZZCPQSA-N	-1	0	307.313	0.645	50	30		DCEARM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000095945725	415562111	/nfs/dbraw/zinc/56/21/11/415562111.db2.gz	FKAITOLPPYQVFS-UHFFFAOYSA-N	-1	0	314.758	0.788	50	30		DCEARM
CC(=O)C(=N[N-]c1nc[nH]c1C(=O)N1CCCCC1)C(C)=O	ZINC000005799102	181284861	/nfs/dbraw/zinc/28/48/61/181284861.db2.gz	LGUQQQWCSCMTTD-UHFFFAOYSA-N	-1	0	305.338	0.982	50	30		DCEARM
COc1cc([N+](=O)[O-])cc(C=NNc2[nH]c(=O)nnc2C)c1[O-]	ZINC000038818855	183010061	/nfs/dbraw/zinc/01/00/61/183010061.db2.gz	YVVMXDFXJFVZLJ-WLRTZDKTSA-N	-1	0	320.265	0.542	50	30		DCEARM
C#CCOCCOCCOCCOCCOCCC(=O)[O-]	ZINC000079016678	396260185	/nfs/dbraw/zinc/26/01/85/396260185.db2.gz	GWIACWQVTBMVEI-UHFFFAOYSA-N	-1	0	304.339	0.177	50	30		DCEARM
Cc1c(NN=C2C(=O)N(C)C(=O)N(C)C2=O)cccc1C(=O)[O-]	ZINC000888092234	765406220	/nfs/dbraw/zinc/40/62/20/765406220.db2.gz	XDJQWPRKXCHLKM-UHFFFAOYSA-N	-1	0	318.289	0.512	50	30		DCEARM
CC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000170627076	396095895	/nfs/dbraw/zinc/09/58/95/396095895.db2.gz	XWJKNAXPAQFZJC-UHFFFAOYSA-N	-1	0	323.374	0.588	50	30		DCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3cccs3)C2)c(=O)[nH]c1=O	ZINC000101239055	415593646	/nfs/dbraw/zinc/59/36/46/415593646.db2.gz	PRHDOFKBQHTKTD-QMMMGPOBSA-N	-1	0	318.358	0.928	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000101152764	415593201	/nfs/dbraw/zinc/59/32/01/415593201.db2.gz	XDRFFFNWRRBTMN-RDQDRAATSA-N	-1	0	320.257	0.964	50	30		DCEARM
O=C1Nc2ccc(Br)cc2C1=N[N-]c1nn[nH]n1	ZINC000004785895	304688891	/nfs/dbraw/zinc/68/88/91/304688891.db2.gz	AELJMJWXZVRIJO-UHFFFAOYSA-N	-1	0	308.099	0.731	50	30		DCEARM
C=CCN(CC(=O)[O-])C(=O)NCc1nnc2n1CCCCC2	ZINC000825101877	671449758	/nfs/dbraw/zinc/44/97/58/671449758.db2.gz	KFCVHHOGXDOIOM-UHFFFAOYSA-N	-1	0	307.354	0.787	50	30		DCEARM
C#CCCC1(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)N=N1	ZINC000952876321	768939972	/nfs/dbraw/zinc/93/99/72/768939972.db2.gz	MHCADYWZVLDVKI-UHFFFAOYSA-N	-1	0	316.321	0.715	50	30		DCEARM
O=C([O-])C[C@@H]1S/C(=N\N=C\c2ccc3c(c2)OCO3)NC1=O	ZINC000005514183	181252263	/nfs/dbraw/zinc/25/22/63/181252263.db2.gz	XXOQUKWFUJCYFV-ZFGNZVLRSA-N	-1	0	321.314	0.812	50	30		DCEARM
O=C1[N-]C(=O)C(=NNc2ccccc2C(F)(F)F)C(=O)N1	ZINC000005583911	395682763	/nfs/dbraw/zinc/68/27/63/395682763.db2.gz	RBRXFAPCFAMLLS-UHFFFAOYSA-N	-1	0	300.196	0.839	50	30		DCEARM
C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000239562544	416329921	/nfs/dbraw/zinc/32/99/21/416329921.db2.gz	BZHVGNCPPJLVLZ-ZUSNOYAUSA-N	-1	0	307.346	0.834	50	30		DCEARM
CO[C@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)[C@@H]1CCOC1	ZINC000594719311	416566952	/nfs/dbraw/zinc/56/69/52/416566952.db2.gz	AFKWLQCFOWRQLP-PSASIEDQSA-N	-1	0	317.392	0.808	50	30		DCEARM
CCCCCCCCO[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000100168371	528132952	/nfs/dbraw/zinc/13/29/52/528132952.db2.gz	SYLNWYZPTDDGMH-BYNIDDHOSA-N	-1	0	306.355	0.256	50	30		DCEARM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N	ZINC000252488042	295702622	/nfs/dbraw/zinc/70/26/22/295702622.db2.gz	IHTHMEJZNVAZME-JTQLQIEISA-N	-1	0	324.406	0.843	50	30		DCEARM
C=CCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000008554572	181563716	/nfs/dbraw/zinc/56/37/16/181563716.db2.gz	ILEHRZJGDYWIDM-UHFFFAOYSA-N	-1	0	312.347	0.954	50	30		DCEARM
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2C1=O	ZINC000012912464	181810960	/nfs/dbraw/zinc/81/09/60/181810960.db2.gz	ZJFWZVIBAIHVRU-QMMMGPOBSA-N	-1	0	302.286	0.672	50	30		DCEARM
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000016956745	182066628	/nfs/dbraw/zinc/06/66/28/182066628.db2.gz	WFGFLIOKKHCQBM-REZTVBANSA-N	-1	0	309.669	0.413	50	30		DCEARM
O=C([O-])C[C@H]1S[C@H](N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O	ZINC000003909437	181057188	/nfs/dbraw/zinc/05/71/88/181057188.db2.gz	LJWQIRVUYJHFLW-AKTMGOCGSA-N	-1	0	324.318	0.508	50	30		DCEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O	ZINC000004184456	181082284	/nfs/dbraw/zinc/08/22/84/181082284.db2.gz	WXFJOEFIIUKNOS-UWZPUTRXSA-N	-1	0	322.302	0.991	50	30		DCEARM
COc1ccccc1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000005302427	181227590	/nfs/dbraw/zinc/22/75/90/181227590.db2.gz	CIJLIBNWWZNIEI-CMDGGOBGSA-N	-1	0	316.313	0.694	50	30		DCEARM
COC(=O)CN1C(C(C)=O)=C([O-])c2ccccc2S1(=O)=O	ZINC000020621979	182239610	/nfs/dbraw/zinc/23/96/10/182239610.db2.gz	HQSGPPTVVRBHFC-UHFFFAOYSA-N	-1	0	311.315	0.680	50	30		DCEARM
COc1ccc([N+](=O)[O-])cc1NN=C1C(=O)[N-]C(=S)NC1=O	ZINC000001794833	395681118	/nfs/dbraw/zinc/68/11/18/395681118.db2.gz	DWFJBVGHORAEOQ-UHFFFAOYSA-N	-1	0	323.290	0.743	50	30		DCEARM
C[C@H](C(=O)[N-]S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1	ZINC000054425273	395899828	/nfs/dbraw/zinc/89/98/28/395899828.db2.gz	PXVCJMGBEUNDQC-SSDOTTSWSA-N	-1	0	309.340	0.904	50	30		DCEARM
N#Cc1cn(CCC(=O)N2CCc3ccccc32)c(=O)[n-]c1=O	ZINC000585141765	396642091	/nfs/dbraw/zinc/64/20/91/396642091.db2.gz	XRDOCZQAVUHTFC-UHFFFAOYSA-N	-1	0	310.313	0.800	50	30		DCEARM
C#CCCC1(CCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])N=N1	ZINC000952876223	768938290	/nfs/dbraw/zinc/93/82/90/768938290.db2.gz	HGKMJPLGGVCSJE-NSHDSACASA-N	-1	0	320.349	0.534	50	30		DCEARM
COc1ccc(/C=N/NS(C)(=O)=O)c(C(=O)[O-])c1OC	ZINC000002771324	395681777	/nfs/dbraw/zinc/68/17/77/395681777.db2.gz	BWDSRNXEPWIOST-WUXMJOGZSA-N	-1	0	302.308	0.285	50	30		DCEARM
Cn1cc(S(=O)(=O)[N-]c2ccccc2C#N)cc1C(N)=O	ZINC000089749967	395714150	/nfs/dbraw/zinc/71/41/50/395714150.db2.gz	CTJHXCHJROMLEL-UHFFFAOYSA-N	-1	0	304.331	0.796	50	30		DCEARM
CC1=C2C(=NC([O-])=C(C#N)[C@]23c2cc(C)ccc2NC3=O)NN1	ZINC000585145662	396642073	/nfs/dbraw/zinc/64/20/73/396642073.db2.gz	SUUULCGIEGQWEG-MGPLVRAMSA-N	-1	0	307.313	0.645	50	30		DCEARM
C[C@@H]1CC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)C1	ZINC000585121306	416518211	/nfs/dbraw/zinc/51/82/11/416518211.db2.gz	LMINVXCFRVSAKZ-UWVGGRQHSA-N	-1	0	304.350	0.761	50	30		DCEARM
O=c1[n-]c(=O)c(NN=Cc2cccc(Br)c2)n[nH]1	ZINC000004947048	181177421	/nfs/dbraw/zinc/17/74/21/181177421.db2.gz	SQIALOHHFNJPHU-LFYBBSHMSA-N	-1	0	310.111	0.667	50	30		DCEARM
CCOC(=O)c1ccc(N=Nc2c(=N)[n-]n(C(C)=O)c2N)cc1	ZINC000016949001	182065936	/nfs/dbraw/zinc/06/59/36/182065936.db2.gz	IVUKKQGIRWTHQL-MCPMPADASA-N	-1	0	316.321	0.952	50	30		DCEARM
Cc1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000235834764	261154674	/nfs/dbraw/zinc/15/46/74/261154674.db2.gz	JCJFHSCJGGVNNI-LBPRGKRZSA-N	-1	0	310.331	0.341	50	30		DCEARM
COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])ccc1O	ZINC000000034957	180673155	/nfs/dbraw/zinc/67/31/55/180673155.db2.gz	NBEPJOSSISDUCN-ZDUSSCGKSA-N	-1	0	321.285	0.770	50	30	biogenic	DCEARM
O=C([O-])C[C@H]1S/C(=N\N=C\c2ccc(O)cc2O)NC1=O	ZINC000002253518	395681437	/nfs/dbraw/zinc/68/14/37/395681437.db2.gz	PSRUAURPDQKEBF-ACJFOYDFSA-N	-1	0	309.303	0.494	50	30		DCEARM
COc1cc(OC)c(OC)cc1/C=N/Nc1nc(=O)c(C)n[n-]1	ZINC000007994947	395683920	/nfs/dbraw/zinc/68/39/20/395683920.db2.gz	TUZFRRQYLFWTGX-VIZOYTHASA-N	-1	0	319.321	0.945	50	30		DCEARM
Cc1nc(N(C)CCN2CCOCC2)c(C#N)cc1C(=O)[O-]	ZINC001529167616	1014511017	/nfs/dbraw/zinc/51/10/17/1014511017.db2.gz	KNHXIGGOCYXJDT-UHFFFAOYSA-N	-1	0	304.350	0.728	50	30		DCEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc(C)[nH]c2=O)C1	ZINC000091586568	193075646	/nfs/dbraw/zinc/07/56/46/193075646.db2.gz	UJUXDVLDJOKVOM-MRXNPFEDSA-N	-1	0	319.361	0.890	50	30		DCEARM
N#Cc1cc(N2C[C@@H](C(=O)[O-])CC2=O)ccc1N1CCOCC1	ZINC000065396927	134823589	/nfs/dbraw/zinc/82/35/89/134823589.db2.gz	DZRKLMRTWXNWSI-LBPRGKRZSA-N	-1	0	315.329	0.832	50	30		DCEARM
Cc1nc(C([O-])=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1C#N	ZINC000103502036	415621603	/nfs/dbraw/zinc/62/16/03/415621603.db2.gz	YDXMWHLKJKIPLD-UHFFFAOYSA-N	-1	0	300.274	0.111	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000101152768	415592853	/nfs/dbraw/zinc/59/28/53/415592853.db2.gz	XDRFFFNWRRBTMN-SEVUFMINSA-N	-1	0	320.257	0.964	50	30		DCEARM
N#CCCn1c(=O)c(C(=O)NCCCO)c([O-])c2ccccc21	ZINC000170624752	416027818	/nfs/dbraw/zinc/02/78/18/416027818.db2.gz	IWLNPOGGZFHWSH-UHFFFAOYSA-N	-1	0	315.329	0.733	50	30		DCEARM
COc1cccc(N=Nc2c(=N)[n-]n(S(C)(=O)=O)c2N)c1	ZINC000016949224	182065942	/nfs/dbraw/zinc/06/59/42/182065942.db2.gz	OPTJDTGNNQKJCO-ICYPCYTFSA-N	-1	0	310.339	0.197	50	30		DCEARM
CN1CCN(S(=O)(=O)[N-]C(=O)c2c[nH]c3ccccc23)CC1	ZINC000020573110	182234140	/nfs/dbraw/zinc/23/41/40/182234140.db2.gz	WQWMGYLGKUCOBW-UHFFFAOYSA-N	-1	0	322.390	0.965	50	30		DCEARM
N#Cc1nc(NC(=O)CCNC(=O)c2ccccc2)[n-]c1C#N	ZINC000012544340	395687736	/nfs/dbraw/zinc/68/77/36/395687736.db2.gz	CCRTZOAQRCRMCU-UHFFFAOYSA-N	-1	0	308.301	0.912	50	30		DCEARM
COC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccccc2)n1	ZINC000012661611	395687944	/nfs/dbraw/zinc/68/79/44/395687944.db2.gz	MWTPCPRKXVJBQQ-UHFFFAOYSA-N	-1	0	301.306	0.544	50	30	biogenic	DCEARM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000299744485	396713851	/nfs/dbraw/zinc/71/38/51/396713851.db2.gz	SOLUDMULPOJYBF-CMPLNLGQSA-N	-1	0	304.302	0.638	50	30		DCEARM
Cc1ccc(N2C(=O)C(=CNCC#N)C(=O)[N-]C2=S)cc1	ZINC000020502371	292126877	/nfs/dbraw/zinc/12/68/77/292126877.db2.gz	OLLQDVBVSONUEZ-DHZHZOJOSA-N	-1	0	300.343	0.740	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000000283248	415126392	/nfs/dbraw/zinc/12/63/92/415126392.db2.gz	FHQLLJZYJQBGMO-LBPRGKRZSA-N	-1	0	320.257	0.964	50	30		DCEARM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N	ZINC000252488043	416334654	/nfs/dbraw/zinc/33/46/54/416334654.db2.gz	IHTHMEJZNVAZME-SNVBAGLBSA-N	-1	0	324.406	0.843	50	30		DCEARM
N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)NC1=O)CCC2	ZINC000006562427	303177437	/nfs/dbraw/zinc/17/74/37/303177437.db2.gz	UZDVFMLVAHVWRV-UHFFFAOYSA-N	-1	0	302.315	0.770	50	30		DCEARM
C=CCn1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000000093011	395679864	/nfs/dbraw/zinc/67/98/64/395679864.db2.gz	MEAUFUUPXYIYQU-UHFFFAOYSA-N	-1	0	310.335	0.176	50	30		DCEARM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2c(cc1C#N)CCC2	ZINC000296089978	396704446	/nfs/dbraw/zinc/70/44/46/396704446.db2.gz	WOASMFCSRCGERU-VIFPVBQESA-N	-1	0	322.390	0.660	50	30		DCEARM
CC(C)(C)OC(=O)CO/N=C(\C(=O)[O-])c1csc(N)n1	ZINC000022048947	182306282	/nfs/dbraw/zinc/30/62/82/182306282.db2.gz	XSQPXYAKVKORFJ-ZSOIEALJSA-N	-1	0	301.324	0.872	50	30	in-vitro	DCEARM
Cn1c(C=NN2CN=NC2=O)c(Br)cc1C(=O)[O-]	ZINC000606442495	397681378	/nfs/dbraw/zinc/68/13/78/397681378.db2.gz	YWTFJYQKAUJKJV-UHFFFAOYSA-N	-1	0	314.099	0.665	50	30		DCEARM
C=CCC(O)(CC=C)CNC(=O)c1cnc2nc(C)[n-]n2c1=O	ZINC000820449239	758143079	/nfs/dbraw/zinc/14/30/79/758143079.db2.gz	ZFLJTGDBLHHXHR-UHFFFAOYSA-N	-1	0	317.349	0.339	50	30		DCEARM
CCNC(=O)[C@@H]1CCN(c2nc(C)c(C(=O)[O-])cc2C#N)C1	ZINC001529196879	1014520085	/nfs/dbraw/zinc/52/00/85/1014520085.db2.gz	IXFBOGSRRTVMFC-SNVBAGLBSA-N	-1	0	302.334	0.922	50	30		DCEARM
O=C([O-])C[C@@H]1S[C@H](N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O	ZINC000003909433	181057603	/nfs/dbraw/zinc/05/76/03/181057603.db2.gz	LJWQIRVUYJHFLW-UPEURCBCSA-N	-1	0	324.318	0.508	50	30		DCEARM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccoc2)CC1	ZINC000052767284	395869760	/nfs/dbraw/zinc/86/97/60/395869760.db2.gz	QDPMLPBBALIFNM-UHFFFAOYSA-N	-1	0	316.335	0.714	50	30		DCEARM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037838134	415194288	/nfs/dbraw/zinc/19/42/88/415194288.db2.gz	UPJNQIZXZUCZOC-WDEREUQCSA-N	-1	0	303.384	0.652	50	30		DCEARM
C=CCN1C(=O)[N-]C(=O)C(=C(C)NCCCn2ccnc2)C1=O	ZINC000020328286	518839316	/nfs/dbraw/zinc/83/93/16/518839316.db2.gz	PWAYHVCJPCNFCU-VAWYXSNFSA-N	-1	0	317.349	0.401	50	30		DCEARM
COC(=O)c1cc(C(=O)[N-]S(C)(=O)=O)n(-c2ccccc2)n1	ZINC000078410922	396244203	/nfs/dbraw/zinc/24/42/03/396244203.db2.gz	SJDMFFNDAYEWHB-UHFFFAOYSA-N	-1	0	323.330	0.923	50	30		DCEARM
O=C1[N-]C(=O)C(=NNc2ccccc2Br)C(=O)N1	ZINC000004598931	304656188	/nfs/dbraw/zinc/65/61/88/304656188.db2.gz	KLQAILIHFBADII-UHFFFAOYSA-N	-1	0	311.095	0.583	50	30		DCEARM
CN1C(=O)[C@H](CC(=O)[O-])S/C1=N\N=C\c1ccc(O)cc1O	ZINC000005093752	181203295	/nfs/dbraw/zinc/20/32/95/181203295.db2.gz	QFZUIBCBSXEMAY-MZHPZJAPSA-N	-1	0	323.330	0.836	50	30		DCEARM
O=S(=O)(N=C([O-])NC1CCCCCC1)N1CCOCC1	ZINC000044123372	183395579	/nfs/dbraw/zinc/39/55/79/183395579.db2.gz	BMZNLUIOEGWZJC-UHFFFAOYSA-N	-1	0	305.400	0.790	50	30		DCEARM
O=C1Nc2ccc(Br)cc2/C1=N\S(=O)(=O)[O-]	ZINC000013739467	304689035	/nfs/dbraw/zinc/68/90/35/304689035.db2.gz	YIDREPMIEJXVFV-UHFFFAOYSA-N	-1	0	305.109	0.993	50	30		DCEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(O)cc2O)NC1=O	ZINC000004351469	181101004	/nfs/dbraw/zinc/10/10/04/181101004.db2.gz	PSRUAURPDQKEBF-DHIBQTOVSA-N	-1	0	309.303	0.494	50	30		DCEARM
O=C([O-])Cc1sc(NN=Cc2cccc([N+](=O)[O-])c2)nc1O	ZINC000003087874	395682307	/nfs/dbraw/zinc/68/23/07/395682307.db2.gz	LMSUOHVDSOQMOE-UWZPUTRXSA-N	-1	0	322.302	0.991	50	30		DCEARM
COC(=O)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1	ZINC000254292315	396031294	/nfs/dbraw/zinc/03/12/94/396031294.db2.gz	PRBOLHFQFLSZDH-UHFFFAOYSA-N	-1	0	304.331	0.904	50	30		DCEARM
O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1n[nH]c(=O)[n-]c1=O	ZINC000009086765	415144797	/nfs/dbraw/zinc/14/47/97/415144797.db2.gz	WHDXBYCWNSDSPS-UHFFFAOYSA-N	-1	0	317.221	0.197	50	30		DCEARM
COC(=O)COc1ccc(C(=O)[N-]S(C)(=O)=O)cc1OC	ZINC000048487372	415295318	/nfs/dbraw/zinc/29/53/18/415295318.db2.gz	IVOZNDPHLHLPFM-UHFFFAOYSA-N	-1	0	317.319	0.511	50	30		DCEARM
CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048479492	415296907	/nfs/dbraw/zinc/29/69/07/415296907.db2.gz	GZWDRDPYYNBDMI-LBPRGKRZSA-N	-1	0	310.375	0.994	50	30		DCEARM
CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1	ZINC000100008738	415590208	/nfs/dbraw/zinc/59/02/08/415590208.db2.gz	XNKWTAXPOFCJRM-BOPFTXTBSA-N	-1	0	318.362	0.875	50	30		DCEARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC#N	ZINC000003771649	181045443	/nfs/dbraw/zinc/04/54/43/181045443.db2.gz	KYWPQKFFMFTQSA-UHFFFAOYSA-N	-1	0	315.285	0.737	50	30		DCEARM
CC(C)(O)C#Cc1ccc(-c2cn(Cc3n[nH]c(=O)[n-]3)nn2)cc1	ZINC000091435116	193055135	/nfs/dbraw/zinc/05/51/35/193055135.db2.gz	AWYKXMBAOAUWJU-UHFFFAOYSA-N	-1	0	324.344	0.527	50	30		DCEARM
O=C([O-])[C@@H](CS)NC(=O)c1cncc(Br)c1	ZINC000000495561	395680492	/nfs/dbraw/zinc/68/04/92/395680492.db2.gz	DQNLRQSEYDRGSX-SSDOTTSWSA-N	-1	0	305.153	0.957	50	30		DCEARM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000091052526	395721095	/nfs/dbraw/zinc/72/10/95/395721095.db2.gz	DRZGNHLSUJKYFV-UHFFFAOYSA-N	-1	0	308.367	0.940	50	30		DCEARM
N#Cc1ncccc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000593329614	397352576	/nfs/dbraw/zinc/35/25/76/397352576.db2.gz	ZDFNJTBSNITMRC-NSHDSACASA-N	-1	0	314.345	0.855	50	30		DCEARM
CC(C)n1nccc1/C=C\C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000606445586	397681807	/nfs/dbraw/zinc/68/18/07/397681807.db2.gz	KOOBCLUQFCJFRW-WAYWQWQTSA-N	-1	0	318.333	0.463	50	30		DCEARM
CCOC(=O)c1n[n-]n(N=Cc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000033428855	521605609	/nfs/dbraw/zinc/60/56/09/521605609.db2.gz	YSUGSORZRBOAEK-QPEQYQDCSA-N	-1	0	305.250	0.951	50	30		DCEARM
Cc1ccc(C([O-])=C(C#N)C(=O)CN(C)S(C)(=O)=O)s1	ZINC000102763770	236888691	/nfs/dbraw/zinc/88/86/91/236888691.db2.gz	GJVJQDMZUCWYMU-VIFPVBQESA-N	-1	0	314.388	0.840	50	30		DCEARM
O=C1OCc2cc(NN=C3C(=O)[N-]C(=S)NC3=O)ccc21	ZINC000016996554	182067628	/nfs/dbraw/zinc/06/76/28/182067628.db2.gz	UVIFMBNMJGCUFX-UHFFFAOYSA-N	-1	0	304.287	0.496	50	30		DCEARM
COc1cc(CN=Nc2nnn[n-]2)ccc1OC(=O)N(C)C	ZINC000033149401	522007797	/nfs/dbraw/zinc/00/77/97/522007797.db2.gz	FYFIGKVAFJDEHC-QPEQYQDCSA-N	-1	0	305.298	0.715	50	30		DCEARM
C=CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCS(=O)(=O)C1	ZINC000262647756	527550680	/nfs/dbraw/zinc/55/06/80/527550680.db2.gz	RFMRHDYAWBGWNM-JTQLQIEISA-N	-1	0	324.358	0.595	50	30		DCEARM
CCOC(=O)N1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000026274324	395694248	/nfs/dbraw/zinc/69/42/48/395694248.db2.gz	CJTJSXWLRLJUIK-UHFFFAOYSA-N	-1	0	316.321	0.960	50	30		DCEARM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c1=O	ZINC000098056555	395761647	/nfs/dbraw/zinc/76/16/47/395761647.db2.gz	WWWZRISBAQJRQA-DAXSKMNVSA-N	-1	0	300.270	0.668	50	30		DCEARM
N#Cc1cccnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000065423246	395992734	/nfs/dbraw/zinc/99/27/34/395992734.db2.gz	HNQNVXUDCANIRB-GFCCVEGCSA-N	-1	0	314.345	0.855	50	30		DCEARM
COCCOc1ccccc1C(=O)[N-]S(=O)(=O)N(C)C	ZINC000049015347	415300798	/nfs/dbraw/zinc/30/07/98/415300798.db2.gz	SZTGXRHNEUBCOW-UHFFFAOYSA-N	-1	0	302.352	0.823	50	30		DCEARM
O=[N+]([O-])c1ccc(/C(=N/[O-])C23CN4CN(CN(C4)C2)C3)cc1	ZINC000019321443	304801906	/nfs/dbraw/zinc/80/19/06/304801906.db2.gz	QTBDMSPAUGAATN-SQFISAMPSA-N	-1	0	303.322	0.579	50	30		DCEARM
CCNC(=O)[C@H]1CCN(c2nc(C)c(C(=O)[O-])cc2C#N)C1	ZINC001529196876	1014519429	/nfs/dbraw/zinc/51/94/29/1014519429.db2.gz	IXFBOGSRRTVMFC-JTQLQIEISA-N	-1	0	302.334	0.922	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000004638158	181130740	/nfs/dbraw/zinc/13/07/40/181130740.db2.gz	YBZFUNWLPZGGQA-LBPRGKRZSA-N	-1	0	320.257	0.964	50	30		DCEARM
COc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1O	ZINC000006373085	181335262	/nfs/dbraw/zinc/33/52/62/181335262.db2.gz	AIBNZHQZRLPEFS-XPWNQWCVSA-N	-1	0	323.330	0.797	50	30		DCEARM
Cn1c(=O)[nH]cc(C(=O)C=Cc2cccc(C(=O)[O-])c2)c1=O	ZINC000126469488	598201598	/nfs/dbraw/zinc/20/15/98/598201598.db2.gz	MDIGVIHWDUBHCX-AATRIKPKSA-N	-1	0	300.270	0.668	50	30		DCEARM
CCn1ncc(/C=C/C(=O)c2c([O-])[nH]c(=O)sc2=O)c1C	ZINC000036619594	395723954	/nfs/dbraw/zinc/72/39/54/395723954.db2.gz	TYWZJYMNKDUYEK-SNAWJCMRSA-N	-1	0	307.331	0.923	50	30		DCEARM
Cc1nc(=O)[n-]c(SCC(=O)NCC(F)(F)F)c1C#N	ZINC000032776387	395713123	/nfs/dbraw/zinc/71/31/23/395713123.db2.gz	LCRQKAQAGVTIOP-UHFFFAOYSA-N	-1	0	306.269	0.721	50	30		DCEARM
N#CCc1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000619471385	397135379	/nfs/dbraw/zinc/13/53/79/397135379.db2.gz	LOPILICUIOZWDZ-GFCCVEGCSA-N	-1	0	310.331	0.227	50	30		DCEARM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000299744487	229384816	/nfs/dbraw/zinc/38/48/16/229384816.db2.gz	SOLUDMULPOJYBF-JQWIXIFHSA-N	-1	0	304.302	0.638	50	30		DCEARM
C#CCCC1(CCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])N=N1	ZINC000952876222	768938630	/nfs/dbraw/zinc/93/86/30/768938630.db2.gz	HGKMJPLGGVCSJE-LLVKDONJSA-N	-1	0	320.349	0.534	50	30		DCEARM
O=C1[N-]C(=S)NC(=O)C1=NNc1cccc(OC(F)F)c1	ZINC000005687351	181272858	/nfs/dbraw/zinc/27/28/58/181272858.db2.gz	WQMVMINCMFLVBU-UHFFFAOYSA-N	-1	0	314.273	0.587	50	30		DCEARM
COCCOc1cccc(C(=O)[N-]S(=O)(=O)N(C)C)c1	ZINC000049015351	183701605	/nfs/dbraw/zinc/70/16/05/183701605.db2.gz	PLOFYISQACZJNS-UHFFFAOYSA-N	-1	0	302.352	0.823	50	30		DCEARM
CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048479490	415290121	/nfs/dbraw/zinc/29/01/21/415290121.db2.gz	GZWDRDPYYNBDMI-GFCCVEGCSA-N	-1	0	310.375	0.994	50	30		DCEARM
CC(C)(O)C#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])o1	ZINC000072139139	415408093	/nfs/dbraw/zinc/40/80/93/415408093.db2.gz	FGDILEYBJMEXHF-NSHDSACASA-N	-1	0	321.329	0.718	50	30		DCEARM
CC(=O)N=C1C(=NNc2ccc(C(=O)[O-])cc2)C(=O)NN1C	ZINC000003869056	181050797	/nfs/dbraw/zinc/05/07/97/181050797.db2.gz	FIPHNPFZVKEXCT-XXOHBWMJSA-N	-1	0	303.278	0.074	50	30		DCEARM
N#Cc1cc(N2C[C@H](C(=O)[O-])CC2=O)ccc1N1CCOCC1	ZINC000065396926	395993348	/nfs/dbraw/zinc/99/33/48/395993348.db2.gz	DZRKLMRTWXNWSI-GFCCVEGCSA-N	-1	0	315.329	0.832	50	30		DCEARM
CCCCCCCCO[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000100228148	415592288	/nfs/dbraw/zinc/59/22/88/415592288.db2.gz	SYLNWYZPTDDGMH-HNRZYHPDSA-N	-1	0	306.355	0.256	50	30		DCEARM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)nc1	ZINC000390833898	417101638	/nfs/dbraw/zinc/10/16/38/417101638.db2.gz	OPTFPBDABRLHHW-UHFFFAOYSA-N	-1	0	303.299	1.483	50	30		DCEARM
Cc1ccc(S(=O)(=O)OCCOCCOCC(=O)[O-])cc1	ZINC000202318774	333340416	/nfs/dbraw/zinc/34/04/16/333340416.db2.gz	QQHWSZBWDYTXGD-UHFFFAOYSA-N	-1	0	318.347	0.818	50	30		DCEARM
CSC[C@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)C(=O)[O-]	ZINC001506410541	1017260113	/nfs/dbraw/zinc/26/01/13/1017260113.db2.gz	VJZHJVSGCBIZEJ-JTQLQIEISA-N	-1	0	311.359	0.948	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000283237	180747372	/nfs/dbraw/zinc/74/73/72/180747372.db2.gz	NGDGUEBOYDSBLW-LBPRGKRZSA-N	-1	0	320.257	0.964	50	30		DCEARM
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1O	ZINC000009329739	395685309	/nfs/dbraw/zinc/68/53/09/395685309.db2.gz	JDQHAKNYMPBAMS-GCIHHOABSA-N	-1	0	323.330	0.797	50	30		DCEARM
Cn1cc(C#N)cc1-c1nc([C@@H]2CCOC2)nn1CC(=O)[O-]	ZINC000097212986	395756016	/nfs/dbraw/zinc/75/60/16/395756016.db2.gz	KBHROELUULPKHM-SNVBAGLBSA-N	-1	0	301.306	0.744	50	30		DCEARM
CCOC(=O)CNC(=O)N=S(=O)([O-])c1ccc(C)cc1	ZINC000071772670	396114486	/nfs/dbraw/zinc/11/44/86/396114486.db2.gz	QMMQYZVIGROHJP-UHFFFAOYSA-N	-1	0	300.336	0.750	50	30		DCEARM
CNC(=O)c1cncc(C=CC(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000328590438	600248408	/nfs/dbraw/zinc/24/84/08/600248408.db2.gz	RSZVCCKKCNDYMO-KXMPLOMGSA-N	-1	0	303.318	0.962	50	30		DCEARM
CCOC(=O)/C(=N\[O-])C(=O)C1CCN(C(=O)OCC)CC1	ZINC000013119611	181829763	/nfs/dbraw/zinc/82/97/63/181829763.db2.gz	YIRSUNKEDVPHHO-UVTDQMKNSA-N	-1	0	300.311	0.817	50	30		DCEARM
CC#CCn1c2cc(C(=O)[O-])cnc2n(CCOCC)c1=O	ZINC000055060852	395910818	/nfs/dbraw/zinc/91/08/18/395910818.db2.gz	COZCFGHVGBJZFD-UHFFFAOYSA-N	-1	0	303.318	0.956	50	30		DCEARM
C[C@H]1CC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)C1	ZINC000585121305	416518246	/nfs/dbraw/zinc/51/82/46/416518246.db2.gz	LMINVXCFRVSAKZ-NXEZZACHSA-N	-1	0	304.350	0.761	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000004638159	277932674	/nfs/dbraw/zinc/93/26/74/277932674.db2.gz	YBZFUNWLPZGGQA-GFCCVEGCSA-N	-1	0	320.257	0.964	50	30		DCEARM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C#N	ZINC000095466275	185371880	/nfs/dbraw/zinc/37/18/80/185371880.db2.gz	WOEGJLVQYCPMCJ-UHFFFAOYSA-N	-1	0	317.330	0.885	50	30		DCEARM
CCOC(=O)C(=C([O-])Cn1cnc(C#N)n1)c1nc(C)cs1	ZINC000103035029	185430171	/nfs/dbraw/zinc/43/01/71/185430171.db2.gz	CZQDMQFTEZISDJ-LLVKDONJSA-N	-1	0	319.346	0.831	50	30		DCEARM
COc1cc(C=NNc2nc(O)c(CC(=O)[O-])s2)ccc1O	ZINC000005906757	181295024	/nfs/dbraw/zinc/29/50/24/181295024.db2.gz	JDQHAKNYMPBAMS-XPWNQWCVSA-N	-1	0	323.330	0.797	50	30		DCEARM
COc1cc(/C=N/Nc2nc(=O)c(C)n[n-]2)cc(OC)c1OC	ZINC000008915300	395685071	/nfs/dbraw/zinc/68/50/71/395685071.db2.gz	POXBVGIMUYVRRO-VIZOYTHASA-N	-1	0	319.321	0.945	50	30		DCEARM
CC/C(=N\c1ccccc1N)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000102443011	415599005	/nfs/dbraw/zinc/59/90/05/415599005.db2.gz	DFBQTDZXFFNDPX-LICLKQGHSA-N	-1	0	302.334	0.903	50	30		DCEARM
C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000239562542	416330060	/nfs/dbraw/zinc/33/00/60/416330060.db2.gz	BZHVGNCPPJLVLZ-QCPCCJPKSA-N	-1	0	307.346	0.834	50	30		DCEARM
N#CC(=N[N-]c1nc[nH]c1C(N)=O)C(=O)NCc1ccccc1	ZINC000252608352	396023181	/nfs/dbraw/zinc/02/31/81/396023181.db2.gz	HJRNUWCDFKSZPS-UHFFFAOYSA-N	-1	0	311.305	0.116	50	30		DCEARM
COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000262552298	522038484	/nfs/dbraw/zinc/03/84/84/522038484.db2.gz	XISDIEONBNQRNP-LLVKDONJSA-N	-1	0	320.301	0.258	50	30		DCEARM
C/C(=N/N=C1\NC(=O)C(C(=O)[O-])S1)c1ccc2c(c1)OCO2	ZINC000004694903	181137499	/nfs/dbraw/zinc/13/74/99/181137499.db2.gz	OPPMGWGWHCECHX-YSIZRHRHSA-N	-1	0	321.314	0.812	50	30		DCEARM
C=CCNC(=O)CSC1=NC(=O)C(CCOCC)C([O-])=N1	ZINC000013957220	395688933	/nfs/dbraw/zinc/68/89/33/395688933.db2.gz	ACMFASQFXIERFW-UHFFFAOYSA-N	-1	0	313.379	0.449	50	30		DCEARM
CC1=NN(C(N)=S)C(=O)C1=NNc1cccc(C(=O)[O-])c1	ZINC000100005937	415589282	/nfs/dbraw/zinc/58/92/82/415589282.db2.gz	GACAVZOBLPUBKK-OQLLNIDSSA-N	-1	0	305.319	0.614	50	30		DCEARM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2c(cc1C#N)CCC2	ZINC000296089975	297975217	/nfs/dbraw/zinc/97/52/17/297975217.db2.gz	WOASMFCSRCGERU-SECBINFHSA-N	-1	0	322.390	0.660	50	30		DCEARM
O=C([O-])C[C@@H]1S[C@@H](N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O	ZINC000003909435	181057295	/nfs/dbraw/zinc/05/72/95/181057295.db2.gz	LJWQIRVUYJHFLW-RDIMFSHNSA-N	-1	0	324.318	0.508	50	30		DCEARM
C=CCN1C(=O)[N-]C(=O)C(=C(C)NCc2cccnc2)C1=O	ZINC000005624602	181264670	/nfs/dbraw/zinc/26/46/70/181264670.db2.gz	FAOGPNQOIVOTRS-ZRDIBKRKSA-N	-1	0	300.318	0.710	50	30		DCEARM
Cc1cc(C)n2nc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)C)nc2n1	ZINC000000036827	395679695	/nfs/dbraw/zinc/67/96/95/395679695.db2.gz	HKRKERHLHFPQOA-ZDUSSCGKSA-N	-1	0	322.394	0.958	50	30		DCEARM
CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000277192114	396054492	/nfs/dbraw/zinc/05/44/92/396054492.db2.gz	OSFUDGONPWAAER-SNVBAGLBSA-N	-1	0	323.378	0.035	50	30		DCEARM
Cn1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(N)=O	ZINC000029972327	415179059	/nfs/dbraw/zinc/17/90/59/415179059.db2.gz	RBYZWDQMJWUHSC-UHFFFAOYSA-N	-1	0	318.358	0.991	50	30		DCEARM
C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000239562540	416330234	/nfs/dbraw/zinc/33/02/34/416330234.db2.gz	BZHVGNCPPJLVLZ-FDZNKFEOSA-N	-1	0	307.346	0.834	50	30		DCEARM
COc1ccc(/C=N/Nc2nc(=O)c(C)n[n-]2)cc1[N+](=O)[O-]	ZINC000003947101	181058745	/nfs/dbraw/zinc/05/87/45/181058745.db2.gz	UEVRQZPGRIOZQD-AWNIVKPZSA-N	-1	0	304.266	0.836	50	30		DCEARM
COC(=O)C(N=Nc1ccc(C(=O)[O-])cc1)C(=O)C(OC)OC	ZINC000004831082	181158529	/nfs/dbraw/zinc/15/85/29/181158529.db2.gz	WPUMLZPBSCHKQP-YBEGLDIGSA-N	-1	0	324.289	0.514	50	30		DCEARM
Cn1nc([N+](=O)[O-])nc1NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000020071763	182185456	/nfs/dbraw/zinc/18/54/56/182185456.db2.gz	NOKGUQULXCQOKQ-VZUCSPMQSA-N	-1	0	307.226	0.783	50	30		DCEARM
C=C(C)Cn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000000189167	395679970	/nfs/dbraw/zinc/67/99/70/395679970.db2.gz	DDZRVXDCCDLBCP-UHFFFAOYSA-N	-1	0	310.335	0.176	50	30		DCEARM
CCNC(=O)N1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000277192113	396054533	/nfs/dbraw/zinc/05/45/33/396054533.db2.gz	OSFUDGONPWAAER-JTQLQIEISA-N	-1	0	323.378	0.035	50	30		DCEARM
CC(=O)NCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000006606070	415132221	/nfs/dbraw/zinc/13/22/21/415132221.db2.gz	UHCBNMYLDHHNFB-JTQLQIEISA-N	-1	0	309.347	0.697	50	30		DCEARM
COc1ncccc1C(=O)N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC000225682537	186288614	/nfs/dbraw/zinc/28/86/14/186288614.db2.gz	IXRFVQPGXCVILZ-UHFFFAOYSA-N	-1	0	310.313	0.849	50	30		DCEARM
CCCCCOCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC000585127604	766289800	/nfs/dbraw/zinc/28/98/00/766289800.db2.gz	FCWJEQAAESUCQT-UHFFFAOYSA-N	-1	0	308.338	0.144	50	30		DCEARM
C=C(C)Cn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000000380571	180771636	/nfs/dbraw/zinc/77/16/36/180771636.db2.gz	WQHXFJRQNADBJP-UHFFFAOYSA-N	-1	0	324.362	0.187	50	30		DCEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O	ZINC000004184455	181082377	/nfs/dbraw/zinc/08/23/77/181082377.db2.gz	WXFJOEFIIUKNOS-CVSYOPMASA-N	-1	0	322.302	0.991	50	30		DCEARM
CCOc1ccc(-n2c([O-])c([S+](C)C)c(=O)[n-]c2=O)cc1	ZINC000004946127	181177677	/nfs/dbraw/zinc/17/76/77/181177677.db2.gz	QQUXZARWKFGLKV-UHFFFAOYSA-O	-1	0	309.367	0.867	50	30		DCEARM
CN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\N=C\c1ccc(O)cc1O	ZINC000005093756	181202975	/nfs/dbraw/zinc/20/29/75/181202975.db2.gz	QFZUIBCBSXEMAY-NZXBHEJNSA-N	-1	0	323.330	0.836	50	30		DCEARM
Cc1cccc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)n1	ZINC000005346259	181232272	/nfs/dbraw/zinc/23/22/72/181232272.db2.gz	CGFVSNQYMRPWDN-BQYQJAHWSA-N	-1	0	301.302	0.389	50	30		DCEARM
CCOC(=O)[N-]S(=O)(=O)c1c(C(=O)OCC)cnn1C	ZINC000022001582	182302888	/nfs/dbraw/zinc/30/28/88/182302888.db2.gz	FTFROPCAURDZIY-UHFFFAOYSA-N	-1	0	305.312	0.236	50	30		DCEARM
Cn1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000098055794	193779584	/nfs/dbraw/zinc/77/95/84/193779584.db2.gz	XEJUNJWRVDFZLZ-ARJAWSKDSA-N	-1	0	320.326	0.740	50	30		DCEARM
NC(=NC(=O)C=CC(=O)[O-])Nc1nc2ccccc2c(=O)[nH]1	ZINC000030721874	415180811	/nfs/dbraw/zinc/18/08/11/415180811.db2.gz	AZYNTAJMXQOSNL-WAYWQWQTSA-N	-1	0	301.262	0.229	50	30		DCEARM
CCOC(=O)C(=C([O-])Cn1cnc(C#N)n1)c1nc(C)cs1	ZINC000103035031	415606366	/nfs/dbraw/zinc/60/63/66/415606366.db2.gz	CZQDMQFTEZISDJ-NSHDSACASA-N	-1	0	319.346	0.831	50	30		DCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3cccs3)C2)c(=O)[nH]c1=O	ZINC000101239058	415593406	/nfs/dbraw/zinc/59/34/06/415593406.db2.gz	PRHDOFKBQHTKTD-MRVPVSSYSA-N	-1	0	318.358	0.928	50	30		DCEARM
CO[C@@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)[C@H]1CCOC1	ZINC000594719314	416567091	/nfs/dbraw/zinc/56/70/91/416567091.db2.gz	AFKWLQCFOWRQLP-WPRPVWTQSA-N	-1	0	317.392	0.808	50	30		DCEARM
C#CCNC(=O)CNS(=O)(=O)c1c(F)cccc1Cl	ZINC000195565689	395831728	/nfs/dbraw/zinc/83/17/28/395831728.db2.gz	AKAOYIKCZXVJCS-UHFFFAOYSA-N	-1	0	304.730	0.507	50	30		DCEARM
N#Cc1cn(CCOc2ccc3c(c2)OCO3)c(=O)[n-]c1=O	ZINC000048325390	415293084	/nfs/dbraw/zinc/29/30/84/415293084.db2.gz	LRRPXBZGVMWGCC-UHFFFAOYSA-N	-1	0	301.258	0.628	50	30		DCEARM
CO[C@@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)[C@@H]1CCOC1	ZINC000594719312	416566709	/nfs/dbraw/zinc/56/67/09/416566709.db2.gz	AFKWLQCFOWRQLP-SCZZXKLOSA-N	-1	0	317.392	0.808	50	30		DCEARM
CNC(=O)c1cncc(C=CC(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000328590439	526412004	/nfs/dbraw/zinc/41/20/04/526412004.db2.gz	RSZVCCKKCNDYMO-VUDBWIFFSA-N	-1	0	303.318	0.962	50	30		DCEARM
C=CCS(=O)(=O)N1CCC(C(=O)[O-])(n2cc(C)cn2)CC1	ZINC000072430318	191162621	/nfs/dbraw/zinc/16/26/21/191162621.db2.gz	OLDPAUNEYPLAIW-UHFFFAOYSA-N	-1	0	313.379	0.583	50	30		DCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(c3nc(C)cnc3C)C[C@H]2C1=O	ZINC000077487267	396224101	/nfs/dbraw/zinc/22/41/01/396224101.db2.gz	KZBXPUJARWOHEW-BLLLJJGKSA-N	-1	0	316.361	0.629	50	30		DCEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cnc(SC)nc2)C1=O	ZINC000000457301	273485202	/nfs/dbraw/zinc/48/52/02/273485202.db2.gz	LHIXGRIFYDBJDP-UITAMQMPSA-N	-1	0	304.331	0.846	50	30		DCEARM
N#Cc1nc(NC(=O)CN2C(=O)c3ccccc3C2=O)[n-]c1C#N	ZINC000003182513	303215962	/nfs/dbraw/zinc/21/59/62/303215962.db2.gz	LNWBRGPNHRMCOC-UHFFFAOYSA-N	-1	0	320.268	0.388	50	30		DCEARM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000252446457	341426603	/nfs/dbraw/zinc/42/66/03/341426603.db2.gz	UPJNQIZXZUCZOC-MNOVXSKESA-N	-1	0	303.384	0.652	50	30		DCEARM
C=CCN1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000006419492	518839105	/nfs/dbraw/zinc/83/91/05/518839105.db2.gz	GWOZAFRPPCKELN-PKNBQFBNSA-N	-1	0	303.322	0.011	50	30		DCEARM
O=C([O-])[C@H](CS)NC(=O)c1cncc(Br)c1	ZINC000000495560	180807603	/nfs/dbraw/zinc/80/76/03/180807603.db2.gz	DQNLRQSEYDRGSX-ZETCQYMHSA-N	-1	0	305.153	0.957	50	30		DCEARM
CCOC(=O)c1n[n-]n(N=Cc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000005957540	181300924	/nfs/dbraw/zinc/30/09/24/181300924.db2.gz	YSUGSORZRBOAEK-NTUHNPAUSA-N	-1	0	305.250	0.951	50	30		DCEARM
C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1O	ZINC000006580543	181356507	/nfs/dbraw/zinc/35/65/07/181356507.db2.gz	JZRHVYVPZHBFGE-UHFFFAOYSA-N	-1	0	302.286	0.879	50	30		DCEARM
CCn1cc(/C=C/C(=O)c2c([O-])[nH]c(=O)sc2=O)c(C)n1	ZINC000036619590	395723810	/nfs/dbraw/zinc/72/38/10/395723810.db2.gz	UEMHGEMKOPZURP-SNAWJCMRSA-N	-1	0	307.331	0.923	50	30		DCEARM
CCN(CC)c1ccc(NN=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000006564561	415133874	/nfs/dbraw/zinc/13/38/74/415133874.db2.gz	IJVPZMSEKUMMDH-UHFFFAOYSA-N	-1	0	319.390	0.832	50	30		DCEARM
C=CCN1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000103094805	1176023813	/nfs/dbraw/zinc/02/38/13/1176023813.db2.gz	GWOZAFRPPCKELN-LUAWRHEFSA-N	-1	0	303.322	0.851	50	30		DCEARM
N#CC(=N[N-]c1nc[nH]c1C(N)=O)C(=O)NCc1ccccc1	ZINC000005807405	181285496	/nfs/dbraw/zinc/28/54/96/181285496.db2.gz	HJRNUWCDFKSZPS-JMIUGGIZSA-N	-1	0	311.305	0.116	50	30		DCEARM
CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCC#N)cc2s1	ZINC000013683051	395688808	/nfs/dbraw/zinc/68/88/08/395688808.db2.gz	CJYWXXWVPJZQHS-UHFFFAOYSA-N	-1	0	310.360	0.921	50	30		DCEARM
Cn1cc(/C=C\C(=O)c2ccc([O-])cc2F)c(=O)n(C)c1=O	ZINC000098055789	395761913	/nfs/dbraw/zinc/76/19/13/395761913.db2.gz	UHWGOVLFRDIJNP-UTCJRWHESA-N	-1	0	304.277	0.825	50	30		DCEARM
O=[N+]([O-])c1cccc(C(=N[O-])C23CN4CN(CN(C4)C2)C3)c1	ZINC000252603923	396022987	/nfs/dbraw/zinc/02/29/87/396022987.db2.gz	FUUBLQRTZXLFAI-UHFFFAOYSA-N	-1	0	303.322	0.579	50	30		DCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccccc3)C2)c(=O)[nH]c1=O	ZINC000101239061	415593562	/nfs/dbraw/zinc/59/35/62/415593562.db2.gz	UNOYCHUWZQHCNG-NSHDSACASA-N	-1	0	312.329	0.867	50	30		DCEARM
N#CCCN1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1	ZINC000072401057	191151243	/nfs/dbraw/zinc/15/12/43/191151243.db2.gz	PNXJALNHWUYAFG-UHFFFAOYSA-N	-1	0	301.346	0.985	50	30		DCEARM
CS(=O)(=O)n1[n-]c(=N)c(N=Nc2ccccc2Cl)c1N	ZINC000004478178	181111935	/nfs/dbraw/zinc/11/19/35/181111935.db2.gz	PKGAOAWHHBBLHN-YBPNIDACSA-N	-1	0	314.758	0.842	50	30		DCEARM
C#CCNC(=O)CCc1nnc(-c2ccc(OC)cc2)[n-]c1=O	ZINC000034762769	395718256	/nfs/dbraw/zinc/71/82/56/395718256.db2.gz	ZSMHULYTBAQLFU-UHFFFAOYSA-N	-1	0	312.329	0.935	50	30		DCEARM
C#Cc1cncc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1	ZINC000225501627	395861833	/nfs/dbraw/zinc/86/18/33/395861833.db2.gz	INHAXXUPIFCAOD-UHFFFAOYSA-N	-1	0	312.329	0.962	50	30		DCEARM
C#CCCS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O	ZINC000225743248	395863126	/nfs/dbraw/zinc/86/31/26/395863126.db2.gz	KCYAFPBEMLRUGL-UHFFFAOYSA-N	-1	0	300.380	0.248	50	30		DCEARM
CC1=NN(C(N)=S)C(=O)C1=NNc1ccccc1C(=O)[O-]	ZINC000252463183	396019891	/nfs/dbraw/zinc/01/98/91/396019891.db2.gz	ZMQITUZQMWFDLL-UHFFFAOYSA-N	-1	0	305.319	0.614	50	30		DCEARM
CC(C)n1nccc1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000585135964	396641548	/nfs/dbraw/zinc/64/15/48/396641548.db2.gz	KOOBCLUQFCJFRW-AATRIKPKSA-N	-1	0	318.333	0.463	50	30		DCEARM
CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1	ZINC000100512514	415592154	/nfs/dbraw/zinc/59/21/54/415592154.db2.gz	XNKWTAXPOFCJRM-GZTJUZNOSA-N	-1	0	318.362	0.875	50	30		DCEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/C23CN4CN(CN(C4)C2)C3)c1	ZINC000019324997	304803542	/nfs/dbraw/zinc/80/35/42/304803542.db2.gz	MBJVNSGPVKUYCI-SYZQJQIISA-N	-1	0	303.322	0.277	50	30		DCEARM
COc1cc(C=NNc2cnnc(=O)[nH]2)cc([N+](=O)[O-])c1[O-]	ZINC000036103561	521993367	/nfs/dbraw/zinc/99/33/67/521993367.db2.gz	UHIUDKDCKYIHQY-UUILKARUSA-N	-1	0	306.238	0.233	50	30		DCEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000004184461	181082373	/nfs/dbraw/zinc/08/23/73/181082373.db2.gz	LMSUOHVDSOQMOE-CVSYOPMASA-N	-1	0	322.302	0.991	50	30		DCEARM
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2C1=O	ZINC000012912460	395688165	/nfs/dbraw/zinc/68/81/65/395688165.db2.gz	ZJFWZVIBAIHVRU-MRVPVSSYSA-N	-1	0	302.286	0.672	50	30		DCEARM
CC(C)CN1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1=O	ZINC000030113622	395701579	/nfs/dbraw/zinc/70/15/79/395701579.db2.gz	LRJPKLNWNHSZET-VIFPVBQESA-N	-1	0	300.322	0.596	50	30		DCEARM
Cc1ccc(N2C(=O)C(=CNCC#N)C(=O)[N-]C2=S)cc1	ZINC000101244781	292126681	/nfs/dbraw/zinc/12/66/81/292126681.db2.gz	OLLQDVBVSONUEZ-FLIBITNWSA-N	-1	0	300.343	0.740	50	30		DCEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000000283255	415125046	/nfs/dbraw/zinc/12/50/46/415125046.db2.gz	FHQLLJZYJQBGMO-GFCCVEGCSA-N	-1	0	320.257	0.964	50	30		DCEARM
CC(=O)NCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000006606073	415134311	/nfs/dbraw/zinc/13/43/11/415134311.db2.gz	UHCBNMYLDHHNFB-SNVBAGLBSA-N	-1	0	309.347	0.697	50	30		DCEARM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CNC(=O)C2CC2)cc1	ZINC000048508939	415297421	/nfs/dbraw/zinc/29/74/21/415297421.db2.gz	AUJYLGKLFVZWOU-UHFFFAOYSA-N	-1	0	321.358	0.871	50	30		DCEARM
Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088376680	301488673	/nfs/dbraw/zinc/48/86/73/301488673.db2.gz	KHRCSBUWVGJULR-NSHDSACASA-N	-1	0	310.331	0.341	50	30		DCEARM
O=[N+]([O-])c1ccc(/C(=N\[O-])C23CN4CN(CN(C4)C2)C3)cc1	ZINC000100333329	304801889	/nfs/dbraw/zinc/80/18/89/304801889.db2.gz	QTBDMSPAUGAATN-FYWRMAATSA-N	-1	0	303.322	0.579	50	30		DCEARM
CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)nnn2C	ZINC000084773521	545704380	/nfs/dbraw/zinc/70/43/80/545704380.db2.gz	SXQPOYGIYNFLSR-UHFFFAOYSA-N	-1	0	311.367	0.860	50	30		DCEARM
CNC(=S)N[N-]S(=O)(=O)c1ccc(OC)cc1OC	ZINC000013544878	181859930	/nfs/dbraw/zinc/85/99/30/181859930.db2.gz	ZVLQPEMESSQTSG-UHFFFAOYSA-N	-1	0	305.381	0.402	50	30		DCEARM
C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)C1	ZINC000585121304	416517878	/nfs/dbraw/zinc/51/78/78/416517878.db2.gz	LMINVXCFRVSAKZ-IAZYJMLFSA-N	-1	0	304.350	0.761	50	30		DCEARM
C=CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1	ZINC000262109388	527549988	/nfs/dbraw/zinc/54/99/88/527549988.db2.gz	IHZIDTPTPZYJFH-VIFPVBQESA-N	-1	0	313.331	0.793	50	30		DCEARM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cn(C)cn1	ZINC000062639836	184246198	/nfs/dbraw/zinc/24/61/98/184246198.db2.gz	CXNPUVKVYMOVLH-UHFFFAOYSA-N	-1	0	318.358	0.584	50	30		DCEARM
N#Cc1cccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c1	ZINC000218903961	395844027	/nfs/dbraw/zinc/84/40/27/395844027.db2.gz	BJFFFJGOCGVTDO-OLZOCXBDSA-N	-1	0	304.302	0.547	50	30		DCEARM
COCCS(=O)(=O)[N-]C(=O)C(C)(C)c1cccc(C#N)c1	ZINC000170645710	396095839	/nfs/dbraw/zinc/09/58/39/396095839.db2.gz	ORMIUBCIUBUUFP-UHFFFAOYSA-N	-1	0	310.375	0.928	50	30		DCEARM
Cn1cc(/C=C/C(=O)c2ccc([O-])cc2F)c(=O)n(C)c1=O	ZINC000078783655	670115276	/nfs/dbraw/zinc/11/52/76/670115276.db2.gz	UHWGOVLFRDIJNP-ZZXKWVIFSA-N	-1	0	304.277	0.825	50	30		DCEARM
COCCS(=O)(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000071851853	184868751	/nfs/dbraw/zinc/86/87/51/184868751.db2.gz	RPMAYQVRIMMSME-UHFFFAOYSA-N	-1	0	321.376	0.371	50	30		DCEARM
C#CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000002968863	395682162	/nfs/dbraw/zinc/68/21/62/395682162.db2.gz	LDSUQBIMFDGHPD-UHFFFAOYSA-N	-1	0	314.297	0.847	50	30		DCEARM
C#CCOc1cc(CNC(=O)c2n[nH]c(=O)[n-]2)ccc1OC	ZINC000072230581	518318713	/nfs/dbraw/zinc/31/87/13/518318713.db2.gz	WLHXTGCSQZVTBI-UHFFFAOYSA-N	-1	0	302.290	0.049	50	30		DCEARM
COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000262552299	396154308	/nfs/dbraw/zinc/15/43/08/396154308.db2.gz	XISDIEONBNQRNP-NSHDSACASA-N	-1	0	320.301	0.258	50	30		DCEARM
COC(=O)COc1cc(C(=O)[N-]S(C)(=O)=O)ccc1OC	ZINC000048486895	415296718	/nfs/dbraw/zinc/29/67/18/415296718.db2.gz	DFUUIYMDCKUTPR-UHFFFAOYSA-N	-1	0	317.319	0.511	50	30		DCEARM
Cc1ccc(C([O-])=C(C#N)C(=O)CN(C)S(C)(=O)=O)s1	ZINC000102763772	415599911	/nfs/dbraw/zinc/59/99/11/415599911.db2.gz	GJVJQDMZUCWYMU-SECBINFHSA-N	-1	0	314.388	0.840	50	30		DCEARM
C=CCC1C(=O)N=C(SCC(=O)N2CCOCC2)N=C1[O-]	ZINC000005129565	527228082	/nfs/dbraw/zinc/22/80/82/527228082.db2.gz	CEGIASPGNSTSGD-UHFFFAOYSA-N	-1	0	311.363	0.155	50	30		DCEARM