smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000071288915	203090938	/nfs/dbraw/zinc/09/09/38/203090938.db2.gz	NWWRNXHBXSFNEA-CHWSQXEVSA-N	-1	0	328.372	0.959	50	30		ECEARM
C=CCN1C(=O)[N-]C(=O)C(=C(CC)NCCN2CCOCC2)C1=O	ZINC000101234292	206283984	/nfs/dbraw/zinc/28/39/84/206283984.db2.gz	FYVLTRNZFDOQQQ-SEYXRHQNSA-N	-1	0	336.392	0.677	50	30		ECEARM
NC(=N[N+](=O)[O-])NN=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000004156826	435978266	/nfs/dbraw/zinc/97/82/66/435978266.db2.gz	ASHHKPJTAJXNRS-QDEBKDIKSA-N	-1	0	347.085	0.493	50	30		ECEARM
COc1ccc(C(=O)Cc2nc3nc(C)cc(=O)n3[n-]c2=O)cc1	ZINC000101393285	436548380	/nfs/dbraw/zinc/54/83/80/436548380.db2.gz	GFSNCVAVBFTCBN-WQLSENKSSA-N	-1	0	326.312	0.823	50	30		ECEARM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)cc1F	ZINC000591667276	439054738	/nfs/dbraw/zinc/05/47/38/439054738.db2.gz	JGXMVJIMPZKGKM-AWEZNQCLSA-N	-1	0	342.348	0.952	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccc(C#N)nc3)C[C@H]2C1=O	ZINC000072447899	216237478	/nfs/dbraw/zinc/23/74/78/216237478.db2.gz	BNPMFTQRWVIRPW-SUMWQHHRSA-N	-1	0	340.339	0.124	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(CCC)on3)C[C@H]2C1=O	ZINC000072479002	216259253	/nfs/dbraw/zinc/25/92/53/216259253.db2.gz	XDEIXJAPOKXGTA-YVEFUNNKSA-N	-1	0	347.371	0.798	50	30		ECEARM
C#CCNC(=O)CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000064664534	436649712	/nfs/dbraw/zinc/64/97/12/436649712.db2.gz	UDNUUYMGBISQDT-UHFFFAOYSA-N	-1	0	330.369	0.867	50	30		ECEARM
CCOc1cccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC000585121754	439632835	/nfs/dbraw/zinc/63/28/35/439632835.db2.gz	YOPKCRGHJOVCDV-UHFFFAOYSA-N	-1	0	328.328	0.536	50	30		ECEARM
NC(=S)C(=NNc1ccc(O)c(C(=O)[O-])c1)C(=O)N1CCCC1	ZINC000254837842	527106406	/nfs/dbraw/zinc/10/64/06/527106406.db2.gz	WGNYPTHBIIFECV-UHFFFAOYSA-N	-1	0	336.373	0.767	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(C4CC4)on3)C[C@H]2C1=O	ZINC000072411942	216204321	/nfs/dbraw/zinc/20/43/21/216204321.db2.gz	BPOICKQZNUMZGZ-APPDUMDISA-N	-1	0	345.355	0.723	50	30		ECEARM
CC(C)(C)[N+](=O)Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC000002022427	201522933	/nfs/dbraw/zinc/52/29/33/201522933.db2.gz	OVTCHWSLKGENKP-GHXNOFRVSA-N	-1	0	337.375	0.908	50	30	in-man	ECEARM
COC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)NC(=S)NC([O-])=C1C#N	ZINC000006384904	201680508	/nfs/dbraw/zinc/68/05/08/201680508.db2.gz	LLULBPPJXYYODX-BMIGLBTASA-N	-1	0	349.343	0.454	50	30		ECEARM
Cc1sc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c(C#N)c1C	ZINC000002606368	435967004	/nfs/dbraw/zinc/96/70/04/435967004.db2.gz	REUKSNOBYRBSHZ-UHFFFAOYSA-N	-1	0	337.386	0.739	50	30		ECEARM
COCC[C@@]1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[n-]c2C)C1	ZINC000091950837	436463980	/nfs/dbraw/zinc/46/39/80/436463980.db2.gz	SVRHIZDUNRRUAT-KRWDZBQOSA-N	-1	0	333.388	0.806	50	30		ECEARM
C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)CS2	ZINC000096013358	436503902	/nfs/dbraw/zinc/50/39/02/436503902.db2.gz	SCUOGUCTNBUWET-JOYOIKCWSA-N	-1	0	343.430	0.190	50	30		ECEARM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)cc1F	ZINC000591667277	439054363	/nfs/dbraw/zinc/05/43/63/439054363.db2.gz	JGXMVJIMPZKGKM-CQSZACIVSA-N	-1	0	342.348	0.952	50	30		ECEARM
CC(=O)N(C)c1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1	ZINC000101482774	204007562	/nfs/dbraw/zinc/00/75/62/204007562.db2.gz	ZXBKGTBZYDNZMS-ATVHPVEESA-N	-1	0	332.389	0.899	50	30		ECEARM
NC(=N[N+](=O)[O-])NN=Cc1ccc(-c2ccc(O)c(C(=O)[O-])c2)o1	ZINC000004469326	435980681	/nfs/dbraw/zinc/98/06/81/435980681.db2.gz	BZTOOBISHURJRM-UUASQNMZSA-N	-1	0	333.260	0.990	50	30		ECEARM
CN(C)c1ccc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc1	ZINC000005370653	435989130	/nfs/dbraw/zinc/98/91/30/435989130.db2.gz	DCYDYGCKHHOMDN-JXMROGBWSA-N	-1	0	329.356	0.752	50	30		ECEARM
COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CCNC(C)=O)c1	ZINC000048492995	436453400	/nfs/dbraw/zinc/45/34/00/436453400.db2.gz	CXVLTLXTYABBCE-UHFFFAOYSA-N	-1	0	330.362	0.875	50	30		ECEARM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)c(OC)c1OC	ZINC000253425320	436845978	/nfs/dbraw/zinc/84/59/78/436845978.db2.gz	SLLDMFFQNGAECQ-UHFFFAOYSA-N	-1	0	328.346	0.686	50	30		ECEARM
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCS(=O)(=O)CC1)C2	ZINC000067789688	202329750	/nfs/dbraw/zinc/32/97/50/202329750.db2.gz	FHBKVQAIPHCLPE-LLVKDONJSA-N	-1	0	339.417	0.355	50	30		ECEARM
C#CCN(CC#CC)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000225587252	205088038	/nfs/dbraw/zinc/08/80/38/205088038.db2.gz	WYGDNPCHPQYPHF-UHFFFAOYSA-N	-1	0	339.344	0.936	50	30		ECEARM
CN(CCC#N)S(=O)(=O)c1ccc2ncc(C(=O)[O-])c(O)c2c1	ZINC000003912961	435978822	/nfs/dbraw/zinc/97/88/22/435978822.db2.gz	MDGJRSHQDPFPMW-UHFFFAOYSA-N	-1	0	335.341	0.760	50	30		ECEARM
CC(C)(C)[N+](=O)Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC000100376877	436547327	/nfs/dbraw/zinc/54/73/27/436547327.db2.gz	OVTCHWSLKGENKP-KPKJPENVSA-N	-1	0	337.375	0.908	50	30		ECEARM
Cn1c([O-])c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000005390585	201649572	/nfs/dbraw/zinc/64/95/72/201649572.db2.gz	MQMHNKXXDIDTRZ-VMPITWQZSA-N	-1	0	331.284	0.594	50	30		ECEARM
O=C1[N-]C(=S)NC(=O)C1=NNc1ccc(Br)cc1	ZINC000005687361	435992101	/nfs/dbraw/zinc/99/21/01/435992101.db2.gz	WAYGFTJTXQIWIM-UHFFFAOYSA-N	-1	0	327.163	0.748	50	30		ECEARM
O=C(CCn1ccnn1)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000330031589	437446883	/nfs/dbraw/zinc/44/68/83/437446883.db2.gz	AOCQHFOHIBROTN-UHFFFAOYSA-N	-1	0	335.389	0.928	50	30		ECEARM
CCN1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101314893	285150221	/nfs/dbraw/zinc/15/02/21/285150221.db2.gz	XTRBXVNNAWRUTF-APAFNLKXSA-N	-1	0	334.419	0.358	50	30		ECEARM
CC(C)(C)S(=O)(=O)/C(C#N)=N/[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000002567103	435968015	/nfs/dbraw/zinc/96/80/15/435968015.db2.gz	GOZYRNYYGBYTPV-LFIBNONCSA-N	-1	0	344.418	0.796	50	30		ECEARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000071288918	203091790	/nfs/dbraw/zinc/09/17/90/203091790.db2.gz	NWWRNXHBXSFNEA-OLZOCXBDSA-N	-1	0	328.372	0.959	50	30		ECEARM
Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000095996117	436503360	/nfs/dbraw/zinc/50/33/60/436503360.db2.gz	ISYZGDBADNSJFQ-UHFFFAOYSA-N	-1	0	338.389	0.268	50	30		ECEARM
C=CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)C(=O)NC1=S	ZINC000004526028	210213316	/nfs/dbraw/zinc/21/33/16/210213316.db2.gz	SBXLJMZGFABDDD-BENRWUELSA-N	-1	0	347.396	0.929	50	30		ECEARM
CCN1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101314895	219121158	/nfs/dbraw/zinc/12/11/58/219121158.db2.gz	XTRBXVNNAWRUTF-GEHXDECNSA-N	-1	0	334.419	0.358	50	30		ECEARM
CC(C)(C)OC(=O)N[C@@H](CCCCNC(N)=N[N+](=O)[O-])C(=O)[O-]	ZINC000015721496	436083045	/nfs/dbraw/zinc/08/30/45/436083045.db2.gz	YFIPSHDRWHZYOM-QMMMGPOBSA-N	-1	0	333.345	0.231	50	30		ECEARM
N#Cc1cn(Cc2ccc(N3CCOCC3)c(F)c2)c(=O)[n-]c1=O	ZINC000048229540	436444958	/nfs/dbraw/zinc/44/49/58/436444958.db2.gz	MMXASQLLEIQPIB-UHFFFAOYSA-N	-1	0	330.319	0.845	50	30		ECEARM
N#Cc1nnc2c3c(-c4ccccc4)c(C#N)c(=O)nc-3[n-]n2c1N	ZINC000196521080	303218990	/nfs/dbraw/zinc/21/89/90/303218990.db2.gz	XWYWNSKJXWJPJU-UHFFFAOYSA-N	-1	0	328.295	0.910	50	30		ECEARM
CCc1ccc(S(=O)(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC000585134727	439633769	/nfs/dbraw/zinc/63/37/69/439633769.db2.gz	HRGPOUWXKWCRJQ-UHFFFAOYSA-N	-1	0	348.384	0.361	50	30		ECEARM
COc1nccc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])c1C#N	ZINC000091426606	295460404	/nfs/dbraw/zinc/46/04/04/295460404.db2.gz	OFXNAKKHHDYFHH-LLVKDONJSA-N	-1	0	330.344	0.522	50	30		ECEARM
Cn1cc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000069708546	435959518	/nfs/dbraw/zinc/95/95/18/435959518.db2.gz	AOFUQIVGPQRSPL-KBPBESRZSA-N	-1	0	330.369	0.900	50	30		ECEARM
O=C([O-])CN1C(=O)C(=NN2C(=O)CSC2=S)c2ccccc21	ZINC000005554618	435989384	/nfs/dbraw/zinc/98/93/84/435989384.db2.gz	HUFJNSODEZSGHA-SDNWHVSQSA-N	-1	0	335.366	0.682	50	30		ECEARM
O=P([O-])(O[C@@H]1C=CS(=O)(=O)C1)O[C@@H]1C=CS(=O)(=O)C1	ZINC000334159548	518203127	/nfs/dbraw/zinc/20/31/27/518203127.db2.gz	XKKCHMCADBLDGG-HTQZYQBOSA-O	-1	0	331.284	0.299	50	30		ECEARM
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)ccc21	ZINC000069744443	435962494	/nfs/dbraw/zinc/96/24/94/435962494.db2.gz	QDOJJGNKCRBZQW-UHFFFAOYSA-N	-1	0	341.352	0.959	50	30		ECEARM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)Oc1cccc(F)c1	ZINC000585132083	439633502	/nfs/dbraw/zinc/63/35/02/439633502.db2.gz	NZKAXNCKRXKAIN-JTQLQIEISA-N	-1	0	346.318	0.543	50	30		ECEARM
CC1=C2C(=NC([O-])=C(C#N)[C@@]23c2cc(Cl)ccc2NC3=O)NN1	ZINC000585145645	439635091	/nfs/dbraw/zinc/63/50/91/439635091.db2.gz	NVADNJNHUCJVSF-VFZGTOFNSA-N	-1	0	327.731	0.990	50	30		ECEARM
C=C(C)C[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-]	ZINC000630092305	440850980	/nfs/dbraw/zinc/85/09/80/440850980.db2.gz	CUNBGYSNZNJZJL-ZYHUDNBSSA-N	-1	0	329.378	0.542	50	30		ECEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1	ZINC000253535495	244010760	/nfs/dbraw/zinc/01/07/60/244010760.db2.gz	XAHHJMFCZUJBNZ-ZBINZKHDSA-N	-1	0	341.371	0.943	50	30		ECEARM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000241231300	267308184	/nfs/dbraw/zinc/30/81/84/267308184.db2.gz	KTTQXMRATJOLDA-LBPRGKRZSA-N	-1	0	347.400	0.846	50	30		ECEARM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000241231299	267308478	/nfs/dbraw/zinc/30/84/78/267308478.db2.gz	KTTQXMRATJOLDA-GFCCVEGCSA-N	-1	0	347.400	0.846	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(c3ncnc4onc(C)c43)C[C@H]2C1=O	ZINC000077357421	277862151	/nfs/dbraw/zinc/86/21/51/277862151.db2.gz	SUIXJZMQVZJVEG-MGPLVRAMSA-N	-1	0	343.343	0.462	50	30		ECEARM
N#CC1=C([O-])NC(N2CCN(c3ncccn3)CC2)=NC12CCCC2	ZINC000013629818	436064377	/nfs/dbraw/zinc/06/43/77/436064377.db2.gz	QYKQESFVNTUJSB-ZDUSSCGKSA-N	-1	0	339.403	0.537	50	30		ECEARM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CCn1ccnn1	ZINC000240744094	436759019	/nfs/dbraw/zinc/75/90/19/436759019.db2.gz	HULSHPYPNWRVIP-UHFFFAOYSA-N	-1	0	335.345	0.054	50	30		ECEARM
N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C=O)CC3)c2c1	ZINC000040267948	213285800	/nfs/dbraw/zinc/28/58/00/213285800.db2.gz	GSQLIIMGJYENBB-INIZCTEOSA-N	-1	0	342.355	0.970	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(C)nn3CC)C[C@H]2C1=O	ZINC000072478412	216257504	/nfs/dbraw/zinc/25/75/04/216257504.db2.gz	RXSQQBBKOFOLHZ-YVEFUNNKSA-N	-1	0	346.387	0.383	50	30		ECEARM
CN1N=C(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)CCC1=O	ZINC000078556631	217077186	/nfs/dbraw/zinc/07/71/86/217077186.db2.gz	GMHFCNNQFCUYRW-UHFFFAOYSA-N	-1	0	336.373	0.859	50	30		ECEARM
Cc1cc2nc(CN3CCN(c4ncccc4C#N)CC3)cc(=O)n2[n-]1	ZINC000334159623	258016721	/nfs/dbraw/zinc/01/67/21/258016721.db2.gz	SHOMUHOKQBUVGW-UHFFFAOYSA-N	-1	0	349.398	0.920	50	30		ECEARM
COC(=O)[C@]1(CC(=O)c2ccc(F)cc2)NC(=S)NC([O-])=C1C#N	ZINC000006385083	435998178	/nfs/dbraw/zinc/99/81/78/435998178.db2.gz	LLULBPPJXYYODX-ZUZCIYMTSA-N	-1	0	349.343	0.454	50	30		ECEARM
O=C([O-])CN1C(=O)C(=NN2C(=O)CSC2=S)c2ccccc21	ZINC000245239951	436761363	/nfs/dbraw/zinc/76/13/63/436761363.db2.gz	HUFJNSODEZSGHA-UHFFFAOYSA-N	-1	0	335.366	0.682	50	30		ECEARM
C=CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000069282801	215374945	/nfs/dbraw/zinc/37/49/45/215374945.db2.gz	PXKQLCBCEMYXQQ-JTQLQIEISA-N	-1	0	337.361	0.899	50	30		ECEARM
CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(F)cc(C#N)c3)C[C@H]2C1=O	ZINC000072430042	216222574	/nfs/dbraw/zinc/22/25/74/216222574.db2.gz	FUNZCZQJYQSUKN-SUMWQHHRSA-N	-1	0	345.330	0.702	50	30		ECEARM
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])o1	ZINC000018190279	436105618	/nfs/dbraw/zinc/10/56/18/436105618.db2.gz	ILJNQFYLLODJNJ-MOLHFAFQSA-N	-1	0	326.290	0.974	50	30		ECEARM
CN(C)/C=C/C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000004090447	210117904	/nfs/dbraw/zinc/11/79/04/210117904.db2.gz	OVPRILQVDIMBAD-AATRIKPKSA-N	-1	0	340.401	0.671	50	30		ECEARM
COC(=O)c1nnc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)[n-]1	ZINC000044911007	436352290	/nfs/dbraw/zinc/35/22/90/436352290.db2.gz	ZJANSAHABSUPIX-VIFPVBQESA-N	-1	0	331.336	0.886	50	30		ECEARM
CC(=O)Nc1ccc(S(=O)(=O)Nc2c([O-])cc(C)oc2=O)cc1	ZINC000043191014	436328234	/nfs/dbraw/zinc/32/82/34/436328234.db2.gz	QBRBTTBFJSSPGB-CYBMUJFWSA-N	-1	0	338.341	0.322	50	30		ECEARM
C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)CS2	ZINC000096013361	436504036	/nfs/dbraw/zinc/50/40/36/436504036.db2.gz	SCUOGUCTNBUWET-SKDRFNHKSA-N	-1	0	343.430	0.190	50	30		ECEARM
COc1cc(=O)n(C)cc1C(=O)N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC000225683684	436713040	/nfs/dbraw/zinc/71/30/40/436713040.db2.gz	FGZWVYOKGJMDKE-UHFFFAOYSA-N	-1	0	340.339	0.152	50	30		ECEARM
C=C(C)Cn1c(SCCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000004815642	210284777	/nfs/dbraw/zinc/28/47/77/210284777.db2.gz	ZDVFWFGAWUGVLQ-UHFFFAOYSA-N	-1	0	338.389	0.577	50	30		ECEARM
N#Cc1cn(CCNC(=O)Nc2cccc(C3CC3)n2)c(=O)[n-]c1=O	ZINC000877871097	590484193	/nfs/dbraw/zinc/48/41/93/590484193.db2.gz	KKJGZESTHJSXFA-UHFFFAOYSA-N	-1	0	340.343	0.915	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)NCc3cccs3)C[C@H]2C1=O	ZINC000072479723	216258638	/nfs/dbraw/zinc/25/86/38/216258638.db2.gz	GIPAXBZINZVEEW-BLLLJJGKSA-N	-1	0	349.412	0.989	50	30		ECEARM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@]1(O)CCOC1	ZINC000330466598	295539141	/nfs/dbraw/zinc/53/91/41/295539141.db2.gz	XMQTVONRMUXHLC-CYBMUJFWSA-N	-1	0	332.353	0.653	50	30		ECEARM
COc1cc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)ccc1O	ZINC000005442034	435988889	/nfs/dbraw/zinc/98/88/89/435988889.db2.gz	OOGDNZUWMYVOFJ-FNORWQNLSA-N	-1	0	332.312	0.400	50	30		ECEARM
N#Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(N)[n-]c1=O	ZINC000006657518	436002340	/nfs/dbraw/zinc/00/23/40/436002340.db2.gz	IATNBALUUPNQPI-UHFFFAOYSA-N	-1	0	330.275	0.763	50	30		ECEARM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)c1	ZINC000058188795	436621652	/nfs/dbraw/zinc/62/16/52/436621652.db2.gz	VYLFMZWISAVLLF-QMMMGPOBSA-N	-1	0	328.346	0.643	50	30		ECEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O	ZINC000101239053	219119647	/nfs/dbraw/zinc/11/96/47/219119647.db2.gz	TTWHBZLZFILLDY-LLVKDONJSA-N	-1	0	328.328	0.573	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2C1=O	ZINC000072447542	216237137	/nfs/dbraw/zinc/23/71/37/216237137.db2.gz	WFWCBUBBQZRACR-APPDUMDISA-N	-1	0	344.371	0.070	50	30		ECEARM
N#Cc1cccnc1N1CCN(c2ccc(C(=O)[O-])cn2)C[C@@H](O)C1	ZINC000217645201	241264639	/nfs/dbraw/zinc/26/46/39/241264639.db2.gz	OFRGYDMYFQHTST-CQSZACIVSA-N	-1	0	339.355	0.734	50	30		ECEARM
CS(=O)(=O)[N-]C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1	ZINC000071892361	436027348	/nfs/dbraw/zinc/02/73/48/436027348.db2.gz	FBPBHLBJDXXPFT-UHFFFAOYSA-N	-1	0	335.267	0.945	50	30		ECEARM
Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)c1Cl	ZINC000058052484	436620060	/nfs/dbraw/zinc/62/00/60/436620060.db2.gz	WNQOOSQIFOQUFR-UHFFFAOYSA-N	-1	0	340.752	0.810	50	30		ECEARM
Cc1c(NN=C2C(=O)[N-]C(=O)N=C2N)c(=O)n(-c2ccccc2)n1C	ZINC000254816497	436848898	/nfs/dbraw/zinc/84/88/98/436848898.db2.gz	PXAJXDHWUKHDGX-UHFFFAOYSA-N	-1	0	341.331	0.064	50	30		ECEARM
Cn1cc(N=C([O-])[C@H]2CCN2C(=O)OC(C)(C)C)c(=O)n(C)c1=O	ZINC000328598330	437238378	/nfs/dbraw/zinc/23/83/78/437238378.db2.gz	LKHLGGBSWJTLGI-SNVBAGLBSA-N	-1	0	338.364	0.681	50	30		ECEARM
COC(=O)c1cn(-n2c([O-])cc(C)c(C#N)c2=O)cc2c(=O)[nH]nc1-2	ZINC000604419472	439314358	/nfs/dbraw/zinc/31/43/58/439314358.db2.gz	ZMWAHOTVEKFLCY-UHFFFAOYSA-N	-1	0	341.283	0.234	50	30		ECEARM
COc1ncc(C)cc1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC000877871402	590484233	/nfs/dbraw/zinc/48/42/33/590484233.db2.gz	OWIWSKKUFKLEMY-UHFFFAOYSA-N	-1	0	344.331	0.354	50	30		ECEARM
Cc1ccc(S(=O)(=O)OCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC000003116887	435972073	/nfs/dbraw/zinc/97/20/73/435972073.db2.gz	DQBRWJIHWHNKMG-UHFFFAOYSA-N	-1	0	335.341	0.122	50	30		ECEARM
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc2C1=O	ZINC000012915926	436055850	/nfs/dbraw/zinc/05/58/50/436055850.db2.gz	DIKUMKJJSJKIMK-PELKAZGASA-N	-1	0	332.312	0.032	50	30		ECEARM
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1/C(=N\[O-])c1nonc1N	ZINC000015636825	436083866	/nfs/dbraw/zinc/08/38/66/436083866.db2.gz	OQZVAHOVGVWQFB-HXPJWWMGSA-N	-1	0	347.335	0.907	50	30		ECEARM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)Oc1cccc(F)c1	ZINC000585132084	439633772	/nfs/dbraw/zinc/63/37/72/439633772.db2.gz	NZKAXNCKRXKAIN-SNVBAGLBSA-N	-1	0	346.318	0.543	50	30		ECEARM
CCOC(=O)CON=C(C(=O)[N-]OCc1ccccn1)c1cc[nH]n1	ZINC000818027528	587397718	/nfs/dbraw/zinc/39/77/18/587397718.db2.gz	YHKSFDRRGWUXAW-UHFFFAOYSA-N	-1	0	347.331	0.337	50	30		ECEARM
C=C(C)COc1ccccc1C(=O)NCCn1[n-]c(=O)ccc1=O	ZINC000055310655	214305002	/nfs/dbraw/zinc/30/50/02/214305002.db2.gz	OBDKRCBFYVUHTL-UHFFFAOYSA-N	-1	0	329.356	0.922	50	30		ECEARM
COC(=O)[C@]1(CC(=O)Cc2ccccc2)NC(=S)NC([O-])=C1C#N	ZINC000006385075	435996831	/nfs/dbraw/zinc/99/68/31/435996831.db2.gz	YGCLBJUSEDPSFQ-BLLLJJGKSA-N	-1	0	345.380	0.244	50	30		ECEARM
C/C(=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])o1	ZINC000018190282	436105741	/nfs/dbraw/zinc/10/57/41/436105741.db2.gz	ILJNQFYLLODJNJ-PBUYIFKYSA-N	-1	0	326.290	0.974	50	30		ECEARM
CCCc1ccc(S(=O)(=O)[N-]C(=O)CN2C(=O)CNC2=O)cc1	ZINC000078556466	436271469	/nfs/dbraw/zinc/27/14/69/436271469.db2.gz	GSGKMIRCVYLZGU-UHFFFAOYSA-N	-1	0	339.373	0.836	50	30		ECEARM
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)COCC2CC2)cc1	ZINC000062677438	436641073	/nfs/dbraw/zinc/64/10/73/436641073.db2.gz	SYHKMYVMFRGERQ-UHFFFAOYSA-N	-1	0	341.389	0.927	50	30		ECEARM
CC1=C2C(=NC([O-])=C(C#N)[C@]23c2cc(Cl)ccc2NC3=O)NN1	ZINC000585145643	439635491	/nfs/dbraw/zinc/63/54/91/439635491.db2.gz	NVADNJNHUCJVSF-BJOHPYRUSA-N	-1	0	327.731	0.990	50	30		ECEARM
Cn1cc(C(=O)[N-]S(=O)(=O)N2CCN(C)CC2)c2ccccc21	ZINC000020572834	212148807	/nfs/dbraw/zinc/14/88/07/212148807.db2.gz	KNFABEQXTBLHEF-UHFFFAOYSA-N	-1	0	336.417	0.975	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(c3ncnc4[nH]ccc43)C[C@H]2C1=O	ZINC000077453314	436238846	/nfs/dbraw/zinc/23/88/46/436238846.db2.gz	YNTWUMMWKZSTRQ-MEDUHNTESA-N	-1	0	327.344	0.493	50	30		ECEARM
C=CCN1C[C@H](C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)CC1=O	ZINC000072432601	216227110	/nfs/dbraw/zinc/22/71/10/216227110.db2.gz	RPOHDHCQOSXGCU-CYBMUJFWSA-N	-1	0	346.387	0.320	50	30		ECEARM
C=CCn1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C	ZINC000012323727	211347142	/nfs/dbraw/zinc/34/71/42/211347142.db2.gz	JZJKQQMWMTVSOO-UHFFFAOYSA-N	-1	0	331.332	0.037	50	30		ECEARM
CCOC(=O)N1CCN(C2=NC3(CCCC3)C(C#N)=C([O-])N2)CC1	ZINC000009050339	211034293	/nfs/dbraw/zinc/03/42/93/211034293.db2.gz	DQIRAXWDDZELOA-GFCCVEGCSA-N	-1	0	333.392	0.699	50	30		ECEARM
C=CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000071803594	436012013	/nfs/dbraw/zinc/01/20/13/436012013.db2.gz	SAZYAOXVPQWZPO-JTQLQIEISA-N	-1	0	334.394	0.664	50	30		ECEARM
COc1ccc(-n2cc(C#N)c(=O)[n-]c2=O)cc1N1CCCC1=O	ZINC000048325424	436448580	/nfs/dbraw/zinc/44/85/80/436448580.db2.gz	SAWKAYIZIFUZNA-UHFFFAOYSA-N	-1	0	326.312	0.945	50	30		ECEARM
CCS[C@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000585131653	439634396	/nfs/dbraw/zinc/63/43/96/439634396.db2.gz	BYVVMVYYWIBJQB-LBPRGKRZSA-N	-1	0	336.417	0.955	50	30		ECEARM
Cc1ccc(S(=O)(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC000585134906	439634517	/nfs/dbraw/zinc/63/45/17/439634517.db2.gz	OXWSUUFSXARQIA-UHFFFAOYSA-N	-1	0	340.386	0.169	50	30		ECEARM
CCOc1cc(C=NNc2[nH]c(=O)nnc2C)cc([N+](=O)[O-])c1[O-]	ZINC000036096826	436256124	/nfs/dbraw/zinc/25/61/24/436256124.db2.gz	PYWMYYFMCLCFBO-MKMNVTDBSA-N	-1	0	334.292	0.932	50	30		ECEARM
CC(C)NC(=O)C(C#N)=C([O-])c1nc(S(C)(=O)=O)n2ccccc12	ZINC000103935260	219330480	/nfs/dbraw/zinc/33/04/80/219330480.db2.gz	LIRWXRDLENYGEW-JTQLQIEISA-N	-1	0	348.384	0.585	50	30		ECEARM
COc1ccc(N=Nc2c(=O)[n-]n(C)c2NC(=O)C(F)(F)F)cc1	ZINC000006056717	435997513	/nfs/dbraw/zinc/99/75/13/435997513.db2.gz	VCLZOXREGRKAGP-CXQRDLCXSA-N	-1	0	343.265	0.927	50	30		ECEARM
COC(=O)c1[n-]c(=O)c(C#N)c(C(=O)OC)c1C(=O)c1cccnc1	ZINC000008655378	436032048	/nfs/dbraw/zinc/03/20/48/436032048.db2.gz	OXLFPCAQZKXFSS-UHFFFAOYSA-N	-1	0	341.279	0.858	50	30		ECEARM
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CC(N3CCOCC3)C1)C2	ZINC000077538338	436242875	/nfs/dbraw/zinc/24/28/75/436242875.db2.gz	AFNOQGBYVNSHFX-CYBMUJFWSA-N	-1	0	346.431	0.641	50	30		ECEARM
CC1(C)Oc2ccc(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)cc2O1	ZINC000585141244	439633750	/nfs/dbraw/zinc/63/37/50/439633750.db2.gz	RUIUCJHRNVNJJI-UHFFFAOYSA-N	-1	0	342.311	0.967	50	30		ECEARM
O=C1[N-]C(=S)NC(=O)C1=NNc1ccc([N+](=O)[O-])cc1Cl	ZINC000828941880	591169763	/nfs/dbraw/zinc/16/97/63/591169763.db2.gz	WFOIKHKJTZPPRA-UHFFFAOYSA-N	-1	0	327.709	0.547	50	30		ECEARM
CCN1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000101314900	285150213	/nfs/dbraw/zinc/15/02/13/285150213.db2.gz	XTRBXVNNAWRUTF-PAZYLZFVSA-N	-1	0	334.419	0.358	50	30		ECEARM
CN1CCN(c2ccc(C=[NH+][N-]c3nnn[n-]3)cc2[N+](=O)[O-])CC1	ZINC000004046599	290057565	/nfs/dbraw/zinc/05/75/65/290057565.db2.gz	YOYNZNOGWTYVCS-NTEUORMPSA-N	-1	0	331.340	0.306	50	30		ECEARM
COc1ccc(/N=C(\C)c2c([O-])n(C)c(=O)n(C)c2=O)c(OC)c1	ZINC000101161178	219117849	/nfs/dbraw/zinc/11/78/49/219117849.db2.gz	XDSLPORYZLWPRC-RQZCQDPDSA-N	-1	0	333.344	0.948	50	30		ECEARM
Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1/C=[NH+]/[N-]c1nnn[n-]1	ZINC000102594489	219213462	/nfs/dbraw/zinc/21/34/62/219213462.db2.gz	MNLYKKOAOCJWBO-REZTVBANSA-N	-1	0	333.315	0.920	50	30		ECEARM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nc(=O)o[n-]1	ZINC000225722237	242005997	/nfs/dbraw/zinc/00/59/97/242005997.db2.gz	NVSNHIBVEABIRL-UHFFFAOYSA-N	-1	0	327.300	0.899	50	30		ECEARM
Cn1c([O-])c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)n(C)c1=O	ZINC000005025431	210365963	/nfs/dbraw/zinc/36/59/63/210365963.db2.gz	PDWYJKAEZNCOHS-HWKANZROSA-N	-1	0	330.296	0.414	50	30		ECEARM
COC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)NC(=S)NC([O-])=C1C#N	ZINC000006384933	435997024	/nfs/dbraw/zinc/99/70/24/435997024.db2.gz	LLULBPPJXYYODX-BONVTDFDSA-N	-1	0	349.343	0.454	50	30		ECEARM
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc2C1=O	ZINC000012915921	436056211	/nfs/dbraw/zinc/05/62/11/436056211.db2.gz	DIKUMKJJSJKIMK-QPUJVOFHSA-N	-1	0	332.312	0.032	50	30		ECEARM
CC1=C2C(=NC([O-])=C(C#N)[C@]23c2cc(Cl)ccc2NC3=O)NN1	ZINC000203404788	564028696	/nfs/dbraw/zinc/02/86/96/564028696.db2.gz	NVADNJNHUCJVSF-RFAUZJTJSA-N	-1	0	327.731	0.990	50	30		ECEARM
C=CCN1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101221626	219119282	/nfs/dbraw/zinc/11/92/82/219119282.db2.gz	XUOWZDVGVYVYKW-OGJDZEFESA-N	-1	0	332.403	0.134	50	30		ECEARM
COc1cc(C#N)ccc1OCCCC(=O)C1C(=O)NC(=O)N=C1[O-]	ZINC000103501967	219308461	/nfs/dbraw/zinc/30/84/61/219308461.db2.gz	JSOOGBWEQGAJMH-UHFFFAOYSA-N	-1	0	345.311	0.277	50	30		ECEARM
C=CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000069282804	215374244	/nfs/dbraw/zinc/37/42/44/215374244.db2.gz	PXKQLCBCEMYXQQ-SNVBAGLBSA-N	-1	0	337.361	0.899	50	30		ECEARM
CCCCCC(=O)C[C@]1(C(=O)OC)NC(=S)NC([O-])=C1C#N	ZINC000048547764	436453854	/nfs/dbraw/zinc/45/38/54/436453854.db2.gz	DADKYFCYNUSRAO-HZMBPMFUSA-N	-1	0	325.390	0.582	50	30		ECEARM
N#Cc1cn(C[C@@H]2CN(Cc3ccccc3)CCO2)c(=O)[n-]c1=O	ZINC000058297502	436622889	/nfs/dbraw/zinc/62/28/89/436622889.db2.gz	PLMWROZYPZIPBY-HNNXBMFYSA-N	-1	0	326.356	0.722	50	30		ECEARM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)Cn1nnc3ccccc31)C2	ZINC000225683401	436712754	/nfs/dbraw/zinc/71/27/54/436712754.db2.gz	FKICAEHFUVDEOM-UHFFFAOYSA-N	-1	0	334.339	0.576	50	30		ECEARM
CCOC(=O)COc1ccccc1/C=N/Nc1nc(=O)c(C)n[n-]1	ZINC000015015669	520807670	/nfs/dbraw/zinc/80/76/70/520807670.db2.gz	OPEOTHCMZCIONX-LZYBPNLTSA-N	-1	0	331.332	0.861	50	30		ECEARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000071288917	215754531	/nfs/dbraw/zinc/75/45/31/215754531.db2.gz	NWWRNXHBXSFNEA-STQMWFEESA-N	-1	0	328.372	0.959	50	30		ECEARM
C=CCN1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000017824719	277855664	/nfs/dbraw/zinc/85/56/64/277855664.db2.gz	XUOWZDVGVYVYKW-AYKQCWLMSA-N	-1	0	332.403	0.134	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccccc3C#N)C[C@H]2C1=O	ZINC000072436261	216230609	/nfs/dbraw/zinc/23/06/09/216230609.db2.gz	DFVGEPJCNCMVDL-KBXCAEBGSA-N	-1	0	339.351	0.729	50	30		ECEARM
Cn1cc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000069708549	435960583	/nfs/dbraw/zinc/96/05/83/435960583.db2.gz	AOFUQIVGPQRSPL-KGLIPLIRSA-N	-1	0	330.369	0.900	50	30		ECEARM
COC(=O)[C@]1(CC(=O)Cc2ccccc2)NC(=S)NC([O-])=C1C#N	ZINC000006385049	435995956	/nfs/dbraw/zinc/99/59/56/435995956.db2.gz	YGCLBJUSEDPSFQ-MLGOLLRUSA-N	-1	0	345.380	0.244	50	30		ECEARM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(Cl)s1	ZINC000102758135	219228612	/nfs/dbraw/zinc/22/86/12/219228612.db2.gz	CQBLXEITUQNFMV-MRVPVSSYSA-N	-1	0	346.817	0.981	50	30		ECEARM
CNC(=O)C(C#N)=C([O-])c1cccc(S(=O)(=O)NC2CCCC2)c1	ZINC000102763982	219228753	/nfs/dbraw/zinc/22/87/53/219228753.db2.gz	JGHNIDPHIKTREF-AWEZNQCLSA-N	-1	0	349.412	0.976	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccc(CO)cc3)C[C@H]2C1=O	ZINC000072418878	216207324	/nfs/dbraw/zinc/20/73/24/216207324.db2.gz	RPYGETNCYYCGQH-KBXCAEBGSA-N	-1	0	344.367	0.350	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(CC)nn3C)C[C@H]2C1=O	ZINC000072438739	216233664	/nfs/dbraw/zinc/23/36/64/216233664.db2.gz	CXIVWRPGEGMCJE-YVEFUNNKSA-N	-1	0	346.387	0.154	50	30		ECEARM
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc2C1=O	ZINC000012915930	211482530	/nfs/dbraw/zinc/48/25/30/211482530.db2.gz	DIKUMKJJSJKIMK-UFBFGSQYSA-N	-1	0	332.312	0.032	50	30		ECEARM
Cc1c(NN=C2C(=O)[N-]C(=O)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000008767363	211002604	/nfs/dbraw/zinc/00/26/04/211002604.db2.gz	JPVFENGITRSCHV-UHFFFAOYSA-N	-1	0	342.315	0.459	50	30		ECEARM
COc1nccc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])c1C#N	ZINC000091426603	295460319	/nfs/dbraw/zinc/46/03/19/295460319.db2.gz	OFXNAKKHHDYFHH-NSHDSACASA-N	-1	0	330.344	0.522	50	30		ECEARM
Cn1c2nc(NN=Cc3c[nH]c4ccccc34)[n-]c2c(=O)n(C)c1=O	ZINC000005341620	435988434	/nfs/dbraw/zinc/98/84/34/435988434.db2.gz	OZTVXTYACUQIDN-QGMBQPNBSA-N	-1	0	337.343	0.888	50	30		ECEARM
Cc1cc(C)n2nc(CCCNC(=O)COCC(=O)[O-])c(C#N)c2n1	ZINC000044980443	436359051	/nfs/dbraw/zinc/35/90/51/436359051.db2.gz	IYUVNFQVAPGDIK-UHFFFAOYSA-N	-1	0	345.359	0.368	50	30		ECEARM
C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)CS2	ZINC000096013360	436502640	/nfs/dbraw/zinc/50/26/40/436502640.db2.gz	SCUOGUCTNBUWET-BXKDBHETSA-N	-1	0	343.430	0.190	50	30		ECEARM
N#Cc1ccccc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-]	ZINC000223704778	241682349	/nfs/dbraw/zinc/68/23/49/241682349.db2.gz	LKUJMYOVJCVFIE-NEPJUHHUSA-N	-1	0	340.357	0.095	50	30		ECEARM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C1=NN(C)C(=O)CC1	ZINC000048677617	436459010	/nfs/dbraw/zinc/45/90/10/436459010.db2.gz	FTUDCGMDJQVSJA-UHFFFAOYSA-N	-1	0	338.389	0.928	50	30		ECEARM
N#Cc1cn(C[C@H]2CN(Cc3ccccc3)CCO2)c(=O)[n-]c1=O	ZINC000058297504	436623353	/nfs/dbraw/zinc/62/33/53/436623353.db2.gz	PLMWROZYPZIPBY-OAHLLOKOSA-N	-1	0	326.356	0.722	50	30		ECEARM
CC1(C)[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H]1C(=O)[O-]	ZINC000071288913	203091320	/nfs/dbraw/zinc/09/13/20/203091320.db2.gz	NWWRNXHBXSFNEA-QWHCGFSZSA-N	-1	0	328.372	0.959	50	30		ECEARM
COC(=O)c1[n-]c(=O)c(C#N)c(C(=O)OC)c1C(=O)c1ccccn1	ZINC000000390615	435952520	/nfs/dbraw/zinc/95/25/20/435952520.db2.gz	WXRXKXAWEPGUQD-UHFFFAOYSA-N	-1	0	341.279	0.858	50	30		ECEARM
CC(=NN=C1NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])o1	ZINC000252611579	436837393	/nfs/dbraw/zinc/83/73/93/436837393.db2.gz	ILJNQFYLLODJNJ-SSDOTTSWSA-N	-1	0	326.290	0.974	50	30		ECEARM
N#CCN1C(C(=O)N2CCOCC2)=C([O-])c2ccccc2S1(=O)=O	ZINC000005321988	303155254	/nfs/dbraw/zinc/15/52/54/303155254.db2.gz	DZTMFMVJUWFQFP-UHFFFAOYSA-N	-1	0	349.368	0.300	50	30		ECEARM
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])o1	ZINC000952973738	612139063	/nfs/dbraw/zinc/13/90/63/612139063.db2.gz	HRQUZMJFWNLHNS-LBPRGKRZSA-N	-1	0	331.328	0.551	50	30		ECEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=O	ZINC000101761772	219162612	/nfs/dbraw/zinc/16/26/12/219162612.db2.gz	DPKQAPPRVRARAP-GFCCVEGCSA-N	-1	0	342.355	0.876	50	30		ECEARM
CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000071913730	203148556	/nfs/dbraw/zinc/14/85/56/203148556.db2.gz	HKLHLJHZPVRPRX-UHFFFAOYSA-N	-1	0	329.334	0.907	50	30		ECEARM
C=CC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(C)CC2)C1	ZINC000091644673	218037855	/nfs/dbraw/zinc/03/78/55/218037855.db2.gz	XLCMLWYOUCYSGO-CQSZACIVSA-N	-1	0	331.438	0.222	50	30		ECEARM
C=C(C)C[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-]	ZINC000630092282	440850647	/nfs/dbraw/zinc/85/06/47/440850647.db2.gz	CUNBGYSNZNJZJL-CMPLNLGQSA-N	-1	0	329.378	0.542	50	30		ECEARM
CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccccc3C#N)C[C@H]2C1=O	ZINC000072447547	203225713	/nfs/dbraw/zinc/22/57/13/203225713.db2.gz	ZEJDYDOFQFSWTD-SUMWQHHRSA-N	-1	0	327.340	0.563	50	30		ECEARM
O=C(NC(=S)N[N-]S(=O)(=O)c1ccccc1)c1cccnc1	ZINC000002397602	435965292	/nfs/dbraw/zinc/96/52/92/435965292.db2.gz	GXHHYNSSIHHJHD-UHFFFAOYSA-N	-1	0	336.398	0.991	50	30		ECEARM
CCCCCC(=O)C[C@@]1(C(=O)OC)NC(=S)NC([O-])=C1C#N	ZINC000048547759	436453557	/nfs/dbraw/zinc/45/35/57/436453557.db2.gz	DADKYFCYNUSRAO-QMTHXVAHSA-N	-1	0	325.390	0.582	50	30		ECEARM
CNC(=O)C(C#N)=C([O-])c1cccc(S(=O)(=O)NC2CCCC2)c1	ZINC000102763985	436552327	/nfs/dbraw/zinc/55/23/27/436552327.db2.gz	JGHNIDPHIKTREF-CQSZACIVSA-N	-1	0	349.412	0.976	50	30		ECEARM
C#CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC000184925971	201038700	/nfs/dbraw/zinc/03/87/00/201038700.db2.gz	XVDXYEONRVODLU-UHFFFAOYSA-N	-1	0	342.804	0.978	50	30		ECEARM
C=CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101221642	204001728	/nfs/dbraw/zinc/00/17/28/204001728.db2.gz	VXOBHIRWZAYFQY-HMMHSFKJSA-N	-1	0	346.430	0.524	50	30		ECEARM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1F	ZINC000291890887	268199851	/nfs/dbraw/zinc/19/98/51/268199851.db2.gz	OTXQWWQTLUSSCH-UHFFFAOYSA-N	-1	0	342.348	0.857	50	30		ECEARM
O=C1[N-]C(=S)NC(=O)C1=NNc1cccc(Br)c1	ZINC000006161175	435997258	/nfs/dbraw/zinc/99/72/58/435997258.db2.gz	IDQZVEXENZVANI-UHFFFAOYSA-N	-1	0	327.163	0.748	50	30		ECEARM
N#Cc1cccnc1N1CCN(C(=O)c2nccnc2C(=O)[O-])CC1	ZINC000061721445	436638510	/nfs/dbraw/zinc/63/85/10/436638510.db2.gz	TZMUSYLJLRWDPM-UHFFFAOYSA-N	-1	0	338.327	0.404	50	30		ECEARM
COC(=O)c1cccc(/N=C(\C)c2c([O-])n(C)c(=O)n(C)c2=O)c1	ZINC000101161096	204002383	/nfs/dbraw/zinc/00/23/83/204002383.db2.gz	ZRMYINRHOUNPLC-RQZCQDPDSA-N	-1	0	331.328	0.717	50	30		ECEARM
O=C(NC(=O)c1ccccc1)C(=N[O-])C(=O)NC(=O)c1ccccc1	ZINC000002178758	435963950	/nfs/dbraw/zinc/96/39/50/435963950.db2.gz	GJULZQBQUVETFH-UHFFFAOYSA-N	-1	0	339.307	0.730	50	30		ECEARM
Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000004309431	435978470	/nfs/dbraw/zinc/97/84/70/435978470.db2.gz	RVIKGIFTIXAYFE-UHFFFAOYSA-N	-1	0	325.122	0.891	50	30		ECEARM
COC(=O)c1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000006579868	435999982	/nfs/dbraw/zinc/99/99/82/435999982.db2.gz	YGLUUNWPUONBHZ-MIJYTDESSA-N	-1	0	335.341	0.869	50	30		ECEARM
COCC[C@]1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[n-]c2C)C1	ZINC000091950839	436464217	/nfs/dbraw/zinc/46/42/17/436464217.db2.gz	SVRHIZDUNRRUAT-QGZVFWFLSA-N	-1	0	333.388	0.806	50	30		ECEARM
O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\N1CCOCC1	ZINC000103895872	436556476	/nfs/dbraw/zinc/55/64/76/436556476.db2.gz	KTFUQCDHGPHABM-VBKFSLOCSA-N	-1	0	346.383	0.973	50	30		ECEARM
CC(C)(O)C#Cc1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC000952990298	612140219	/nfs/dbraw/zinc/14/02/19/612140219.db2.gz	HWJAWZFOTZWUAP-HNNXBMFYSA-N	-1	0	341.367	0.958	50	30		ECEARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NN1CCN(C)CC1	ZINC000020828066	202056372	/nfs/dbraw/zinc/05/63/72/202056372.db2.gz	ZEDIJDYVYSSDOE-GZTJUZNOSA-N	-1	0	344.375	0.964	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cccc(C#N)c3)C[C@H]2C1=O	ZINC000072454640	277861919	/nfs/dbraw/zinc/86/19/19/277861919.db2.gz	ZBQPFBCCJVHDCB-KBXCAEBGSA-N	-1	0	339.351	0.729	50	30		ECEARM
COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1	ZINC000079106626	436289077	/nfs/dbraw/zinc/28/90/77/436289077.db2.gz	JUCQBPCMPMPSPC-UHFFFAOYSA-N	-1	0	334.357	0.805	50	30		ECEARM
N#Cc1cccnc1N1CCN(c2ccc(C(=O)[O-])cn2)C[C@H](O)C1	ZINC000097713618	436544540	/nfs/dbraw/zinc/54/45/40/436544540.db2.gz	OFRGYDMYFQHTST-AWEZNQCLSA-N	-1	0	339.355	0.734	50	30		ECEARM
O=S1(=O)CC=C(CSC(=S)[N-][C@H]2CCS(=O)(=O)C2)C1	ZINC000334158290	437296108	/nfs/dbraw/zinc/29/61/08/437296108.db2.gz	DMSNOHNJCUANNV-VIFPVBQESA-P	-1	0	342.509	0.694	50	30		ECEARM
Cn1c([O-])c(C(=O)/C=C\c2cn(C(C)(C)C)nn2)c(=O)n(C)c1=O	ZINC000606443364	439408682	/nfs/dbraw/zinc/40/86/82/439408682.db2.gz	YPIIBLIYKUGANK-SREVYHEPSA-N	-1	0	333.348	0.032	50	30		ECEARM
C=C(C)C[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-]	ZINC000630092302	440849627	/nfs/dbraw/zinc/84/96/27/440849627.db2.gz	CUNBGYSNZNJZJL-PWSUYJOCSA-N	-1	0	329.378	0.542	50	30		ECEARM
C[C@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1n[nH]c(CC(=O)[O-])n1	ZINC000952963287	612138523	/nfs/dbraw/zinc/13/85/23/612138523.db2.gz	JMZDINQPKQBRSB-VIFPVBQESA-N	-1	0	346.343	0.638	50	30		ECEARM
COc1nc(C)nc(N(C)C([O-])=NS(=O)(=O)N2CCCCC2)n1	ZINC000022779301	735343253	/nfs/dbraw/zinc/34/32/53/735343253.db2.gz	BPJUQSYMVFRRJF-UHFFFAOYSA-N	-1	0	344.397	0.270	50	30		ECEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccccc3OC)C2)c(=O)[nH]c1=O	ZINC000101761856	219163069	/nfs/dbraw/zinc/16/30/69/219163069.db2.gz	VMBBCMLMRFWLPX-LLVKDONJSA-N	-1	0	342.355	0.876	50	30		ECEARM
CC(=O)Nc1ccc(/N=C(\C)c2c([O-])n(C)c(=O)n(C)c2=O)cc1	ZINC000101498028	277065383	/nfs/dbraw/zinc/06/53/83/277065383.db2.gz	LZCVMYWQQSZSOD-RQZCQDPDSA-N	-1	0	330.344	0.889	50	30		ECEARM
COC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccccc2OC)n1	ZINC000002484489	435966107	/nfs/dbraw/zinc/96/61/07/435966107.db2.gz	MGFMZQPFCZUPQV-UHFFFAOYSA-N	-1	0	331.332	0.552	50	30		ECEARM
COC(=O)c1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000004801998	435981215	/nfs/dbraw/zinc/98/12/15/435981215.db2.gz	YGLUUNWPUONBHZ-XVBMGZJVSA-N	-1	0	335.341	0.869	50	30		ECEARM
C=CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000005575090	435991301	/nfs/dbraw/zinc/99/13/01/435991301.db2.gz	VXOBHIRWZAYFQY-ZSNFEOKMSA-N	-1	0	346.430	0.524	50	30		ECEARM
N#CC1=C([O-])NC(N2CCN(c3ncccn3)CC2)=NC12CCCC2	ZINC000013629816	436063787	/nfs/dbraw/zinc/06/37/87/436063787.db2.gz	QYKQESFVNTUJSB-CYBMUJFWSA-N	-1	0	339.403	0.537	50	30		ECEARM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1F	ZINC000102758127	436551287	/nfs/dbraw/zinc/55/12/87/436551287.db2.gz	UEIILORUKVXGQH-LBPRGKRZSA-N	-1	0	338.360	0.714	50	30		ECEARM
CCCc1occc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000225602867	436711338	/nfs/dbraw/zinc/71/13/38/436711338.db2.gz	PARBZVCGIWOROF-GFCCVEGCSA-N	-1	0	338.385	0.812	50	30		ECEARM
CCOC(=O)c1cnc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[n-]1	ZINC000328591473	437237648	/nfs/dbraw/zinc/23/76/48/437237648.db2.gz	HIUNZUZVVQPGTB-QMMMGPOBSA-N	-1	0	332.320	0.951	50	30		ECEARM
O=C([N-]S(=O)(=O)c1nc[nH]n1)c1cnn(Cc2ccccc2)c1	ZINC000095469285	527161469	/nfs/dbraw/zinc/16/14/69/527161469.db2.gz	UCNDKEQNXIDZBE-UHFFFAOYSA-N	-1	0	332.345	0.743	50	30		ECEARM
O=C([O-])CCNC(=O)CC1S/C(=N/c2ccc(O)cc2)NC1=O	ZINC000008418969	304054280	/nfs/dbraw/zinc/05/42/80/304054280.db2.gz	QJVWNENZVKBHQZ-JTQLQIEISA-N	-1	0	337.357	0.592	50	30		ECEARM
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1/C(=N\[O-])c1nonc1N	ZINC000015636823	135707836	/nfs/dbraw/zinc/70/78/36/135707836.db2.gz	OQZVAHOVGVWQFB-UZMFJHSZSA-N	-1	0	347.335	0.907	50	30		ECEARM
CN1C(=O)[N-]C(=O)C(=NNc2ccc(Br)cc2)C1=O	ZINC000005730865	277016118	/nfs/dbraw/zinc/01/61/18/277016118.db2.gz	QMPQIZXYHRVDSC-OVCLIPMQSA-N	-1	0	325.122	0.925	50	30		ECEARM
C=CCN1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000005563225	435989156	/nfs/dbraw/zinc/98/91/56/435989156.db2.gz	XUOWZDVGVYVYKW-YPQGFXCPSA-N	-1	0	332.403	0.134	50	30		ECEARM
C=CCn1c(=O)c2ccc(C(=O)NCCNC(C)=O)cc2[n-]c1=S	ZINC000036620255	213103772	/nfs/dbraw/zinc/10/37/72/213103772.db2.gz	LUHDSSLLQYYCNP-UHFFFAOYSA-N	-1	0	346.412	0.737	50	30		ECEARM
C=CCn1nc(C(=O)[O-])c2c1CC[C@H](N1CC(N3CCOCC3)C1)C2	ZINC000077538340	436243058	/nfs/dbraw/zinc/24/30/58/436243058.db2.gz	AFNOQGBYVNSHFX-ZDUSSCGKSA-N	-1	0	346.431	0.641	50	30		ECEARM
CC(=NN=C1NC(=O)[C@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])o1	ZINC000252611580	436837874	/nfs/dbraw/zinc/83/78/74/436837874.db2.gz	ILJNQFYLLODJNJ-ZETCQYMHSA-N	-1	0	326.290	0.974	50	30		ECEARM
CC1=C2C(=NC([O-])=C(C#N)[C@@]23c2cc(Cl)ccc2NC3=O)NN1	ZINC000585145644	439636123	/nfs/dbraw/zinc/63/61/23/439636123.db2.gz	NVADNJNHUCJVSF-PSLIRLAXSA-N	-1	0	327.731	0.990	50	30		ECEARM
Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC2(CC(=O)N(C)C2)CC1	ZINC000072409516	216201229	/nfs/dbraw/zinc/20/12/29/216201229.db2.gz	VGVGCIZNWAVAGZ-UHFFFAOYSA-N	-1	0	328.372	0.640	50	30		ECEARM
N#Cc1cn(OCCOc2cccc(C(F)(F)F)c2)c(=O)[n-]c1=O	ZINC000003116932	435971420	/nfs/dbraw/zinc/97/14/20/435971420.db2.gz	HXRXIEPKBVPULB-UHFFFAOYSA-N	-1	0	341.245	0.935	50	30		ECEARM
COC(=O)[C@@]1(CC(=O)Cc2ccccc2)NC(=S)NC([O-])=C1C#N	ZINC000006384897	435995883	/nfs/dbraw/zinc/99/58/83/435995883.db2.gz	YGCLBJUSEDPSFQ-WBMJQRKESA-N	-1	0	345.380	0.244	50	30		ECEARM
COC(=O)c1nnc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)[n-]1	ZINC000044911004	436352384	/nfs/dbraw/zinc/35/23/84/436352384.db2.gz	ZJANSAHABSUPIX-SECBINFHSA-N	-1	0	331.336	0.886	50	30		ECEARM
Cn1cc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)c(=O)n(C)c1=O	ZINC000606445646	439409939	/nfs/dbraw/zinc/40/99/39/439409939.db2.gz	ZYHYABRNMGKZPZ-VMPITWQZSA-N	-1	0	330.296	0.588	50	30		ECEARM
C=CCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCS(=O)(=O)CC1)C2	ZINC000067789689	215214066	/nfs/dbraw/zinc/21/40/66/215214066.db2.gz	FHBKVQAIPHCLPE-NSHDSACASA-N	-1	0	339.417	0.355	50	30		ECEARM
C=CCN(Cc1cccc(OC)c1)C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000055393336	518784816	/nfs/dbraw/zinc/78/48/16/518784816.db2.gz	DEVHRZBITUNNTI-UHFFFAOYSA-N	-1	0	329.356	0.760	50	30		ECEARM
O=C([O-])/C=N/N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O	ZINC000000489752	304024307	/nfs/dbraw/zinc/02/43/07/304024307.db2.gz	GFQPNHLYABUHBF-WJXQYMNISA-N	-1	0	326.312	0.334	50	30		ECEARM
Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c1C#N	ZINC000095995673	436502957	/nfs/dbraw/zinc/50/29/57/436502957.db2.gz	NVNJAKSJHZKDDB-UHFFFAOYSA-N	-1	0	336.377	0.431	50	30		ECEARM
COc1ccc(CN2C[C@@H](C(=O)[N-]S(C)(=O)=O)CC2=O)cc1	ZINC000096403225	436530302	/nfs/dbraw/zinc/53/03/02/436530302.db2.gz	QCRBYXVXEZAHJF-NSHDSACASA-N	-1	0	326.374	0.960	50	30		ECEARM
CCOC(=O)N1CCN(C2=NC3(CCCC3)C(C#N)=C([O-])N2)CC1	ZINC000009050336	211033937	/nfs/dbraw/zinc/03/39/37/211033937.db2.gz	DQIRAXWDDZELOA-LBPRGKRZSA-N	-1	0	333.392	0.699	50	30		ECEARM
O=C(CN1CCCNC1=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000071803638	436013949	/nfs/dbraw/zinc/01/39/49/436013949.db2.gz	LFIWREUPTZPZMF-UHFFFAOYSA-N	-1	0	325.390	0.931	50	30		ECEARM
CCCCCC(=O)C[C@]1(C(=O)OC)NC(=S)NC([O-])=C1C#N	ZINC000048547761	436453628	/nfs/dbraw/zinc/45/36/28/436453628.db2.gz	DADKYFCYNUSRAO-YGRLFVJLSA-N	-1	0	325.390	0.582	50	30		ECEARM
NC(=O)CC[C@@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000020572909	303247431	/nfs/dbraw/zinc/24/74/31/303247431.db2.gz	SHWJDTKULYSDEG-SECBINFHSA-N	-1	0	336.731	0.824	50	30		ECEARM
Cn1cc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)c(=O)n(C)c1=O	ZINC000585136289	439633487	/nfs/dbraw/zinc/63/34/87/439633487.db2.gz	ZYHYABRNMGKZPZ-YVMONPNESA-N	-1	0	330.296	0.588	50	30		ECEARM
O=C([O-])CN1C(=O)C(=NN2C(=O)CSC2=S)c2ccccc21	ZINC000002276312	435963625	/nfs/dbraw/zinc/96/36/25/435963625.db2.gz	HUFJNSODEZSGHA-KAMYIIQDSA-N	-1	0	335.366	0.682	50	30		ECEARM
CC(=O)Nc1ccc(S(=O)(=O)Nc2c([O-])cc(C)oc2=O)cc1	ZINC000043191012	436328550	/nfs/dbraw/zinc/32/85/50/436328550.db2.gz	QBRBTTBFJSSPGB-ZDUSSCGKSA-N	-1	0	338.341	0.322	50	30		ECEARM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000591667243	439055395	/nfs/dbraw/zinc/05/53/95/439055395.db2.gz	HDBXCBJRBMJHCP-CQSZACIVSA-N	-1	0	342.348	0.952	50	30		ECEARM
O=C([O-])CCNC(=O)CC1S/C(=N/c2ccc(O)cc2)NC1=O	ZINC000008418977	304054800	/nfs/dbraw/zinc/05/48/00/304054800.db2.gz	QJVWNENZVKBHQZ-SNVBAGLBSA-N	-1	0	337.357	0.592	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccnn3CCC)C[C@H]2C1=O	ZINC000072463531	216245324	/nfs/dbraw/zinc/24/53/24/216245324.db2.gz	ISFXRJAVSBCIKW-YVEFUNNKSA-N	-1	0	346.387	0.464	50	30		ECEARM
C=CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(C)CC2)C1	ZINC000091644674	218037843	/nfs/dbraw/zinc/03/78/43/218037843.db2.gz	XLCMLWYOUCYSGO-AWEZNQCLSA-N	-1	0	331.438	0.222	50	30		ECEARM
C[C@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)CS2	ZINC000096013359	436503599	/nfs/dbraw/zinc/50/35/99/436503599.db2.gz	SCUOGUCTNBUWET-CABZTGNLSA-N	-1	0	343.430	0.190	50	30		ECEARM
CCOC(=O)c1cnc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[n-]1	ZINC000328591472	437237791	/nfs/dbraw/zinc/23/77/91/437237791.db2.gz	HIUNZUZVVQPGTB-MRVPVSSYSA-N	-1	0	332.320	0.951	50	30		ECEARM
C=CCN(CC=C)C(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000009691868	436036169	/nfs/dbraw/zinc/03/61/69/436036169.db2.gz	BHQDWTZMGLWBET-UHFFFAOYSA-N	-1	0	335.385	0.536	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CCc3ccccn3)C[C@H]2C1=O	ZINC000072421831	436046504	/nfs/dbraw/zinc/04/65/04/436046504.db2.gz	DPBYOKLWBFIQLT-KBXCAEBGSA-N	-1	0	343.383	0.572	50	30		ECEARM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1F	ZINC000102758124	219228206	/nfs/dbraw/zinc/22/82/06/219228206.db2.gz	UEIILORUKVXGQH-GFCCVEGCSA-N	-1	0	338.360	0.714	50	30		ECEARM
C=CCNC(=O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000069519474	436778080	/nfs/dbraw/zinc/77/80/80/436778080.db2.gz	PYFGWPDHBCJRDV-UHFFFAOYSA-N	-1	0	334.376	0.720	50	30		ECEARM
N#Cc1ccc(N2CCC[C@H](NC(=O)c3n[nH]c(=O)[n-]3)C2)c(F)c1	ZINC000071890879	436027559	/nfs/dbraw/zinc/02/75/59/436027559.db2.gz	ABCQIUQLQPQTEA-JTQLQIEISA-N	-1	0	330.323	0.508	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CCCn3ccnc3)C[C@H]2C1=O	ZINC000072409408	436044896	/nfs/dbraw/zinc/04/48/96/436044896.db2.gz	NRWPAQBFSDRJBA-SUMWQHHRSA-N	-1	0	346.387	0.221	50	30		ECEARM
Nc1nonc1/C(=N/[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012374549	436049798	/nfs/dbraw/zinc/04/97/98/436049798.db2.gz	WSWLMIAKCLUZIU-SQFISAMPSA-N	-1	0	333.308	0.518	50	30		ECEARM
Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)c1Cl	ZINC000095959362	436502177	/nfs/dbraw/zinc/50/21/77/436502177.db2.gz	ICDPJQXTIDQPSP-UHFFFAOYSA-N	-1	0	340.752	0.810	50	30		ECEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O	ZINC000101239051	219120103	/nfs/dbraw/zinc/12/01/03/219120103.db2.gz	TTWHBZLZFILLDY-NSHDSACASA-N	-1	0	328.328	0.573	50	30		ECEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccccc3OC)C2)c(=O)[nH]c1=O	ZINC000101761852	219162665	/nfs/dbraw/zinc/16/26/65/219162665.db2.gz	VMBBCMLMRFWLPX-NSHDSACASA-N	-1	0	342.355	0.876	50	30		ECEARM
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000066242187	215026877	/nfs/dbraw/zinc/02/68/77/215026877.db2.gz	XIDBHPMRBMKQTC-UHFFFAOYSA-N	-1	0	333.373	0.644	50	30		ECEARM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(Cl)s1	ZINC000102758137	219228536	/nfs/dbraw/zinc/22/85/36/219228536.db2.gz	CQBLXEITUQNFMV-QMMMGPOBSA-N	-1	0	346.817	0.981	50	30		ECEARM
CC(=O)N(C)c1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1	ZINC000100021916	219088526	/nfs/dbraw/zinc/08/85/26/219088526.db2.gz	ZXBKGTBZYDNZMS-SFQUDFHCSA-N	-1	0	332.389	0.899	50	30		ECEARM
C=CCN1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101221628	219120140	/nfs/dbraw/zinc/12/01/40/219120140.db2.gz	XUOWZDVGVYVYKW-DNFGBECISA-N	-1	0	332.403	0.134	50	30		ECEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=O	ZINC000101761769	219163243	/nfs/dbraw/zinc/16/32/43/219163243.db2.gz	DPKQAPPRVRARAP-LBPRGKRZSA-N	-1	0	342.355	0.876	50	30		ECEARM
CCc1ccsc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000102758122	219227951	/nfs/dbraw/zinc/22/79/51/219227951.db2.gz	RMRPLYQOTPGPEP-NSHDSACASA-N	-1	0	340.426	0.890	50	30		ECEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1	ZINC000253535494	244010346	/nfs/dbraw/zinc/01/03/46/244010346.db2.gz	XAHHJMFCZUJBNZ-RIEGTJTDSA-N	-1	0	341.371	0.943	50	30		ECEARM
CCOc1cccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC000585121612	439632761	/nfs/dbraw/zinc/63/27/61/439632761.db2.gz	UBZVNQGXRBLWQR-UHFFFAOYSA-N	-1	0	342.355	0.926	50	30		ECEARM
CC(C)NC(=O)C(C#N)=C([O-])c1nc(S(C)(=O)=O)n2ccccc12	ZINC000103935264	219330441	/nfs/dbraw/zinc/33/04/41/219330441.db2.gz	LIRWXRDLENYGEW-SNVBAGLBSA-N	-1	0	348.384	0.585	50	30		ECEARM
Cn1cc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000069708552	435960414	/nfs/dbraw/zinc/96/04/14/435960414.db2.gz	AOFUQIVGPQRSPL-UONOGXRCSA-N	-1	0	330.369	0.900	50	30		ECEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2[O-])NC1=O	ZINC000002251343	435963524	/nfs/dbraw/zinc/96/35/24/435963524.db2.gz	OIZIVDSMFGFTIA-BWJGRMQRSA-N	-1	0	338.301	0.697	50	30		ECEARM
COC(=O)[C@@]1(CC(=O)Cc2ccccc2)NC(=S)NC([O-])=C1C#N	ZINC000006384927	435997553	/nfs/dbraw/zinc/99/75/53/435997553.db2.gz	YGCLBJUSEDPSFQ-LRDDRELGSA-N	-1	0	345.380	0.244	50	30		ECEARM
C=CCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000071803595	215839035	/nfs/dbraw/zinc/83/90/35/215839035.db2.gz	SAZYAOXVPQWZPO-SNVBAGLBSA-N	-1	0	334.394	0.664	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(c3ncnc4c3CCC4)C[C@H]2C1=O	ZINC000077535992	436242350	/nfs/dbraw/zinc/24/23/50/436242350.db2.gz	YTLNUMDZCRMLHO-YVEFUNNKSA-N	-1	0	328.372	0.501	50	30		ECEARM
CCOC(=O)c1nc[n-]c1N=C1SC(=CC(=O)OC)C(=O)N1C	ZINC000004817892	210285700	/nfs/dbraw/zinc/28/57/00/210285700.db2.gz	KXCWJECUYIERIJ-VSPHPNGLSA-N	-1	0	338.345	0.836	50	30		ECEARM
Cn1cc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000069708555	435959848	/nfs/dbraw/zinc/95/98/48/435959848.db2.gz	AOFUQIVGPQRSPL-ZIAGYGMSSA-N	-1	0	330.369	0.900	50	30		ECEARM
C=CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000017994978	436103263	/nfs/dbraw/zinc/10/32/63/436103263.db2.gz	VXOBHIRWZAYFQY-QIHHWRFWSA-N	-1	0	346.430	0.524	50	30		ECEARM
O=[P@]([O-])(O[C@@H]1C=CS(=O)(=O)C1)O[C@H]1C=CS(=O)(=O)C1	ZINC000334159549	437297689	/nfs/dbraw/zinc/29/76/89/437297689.db2.gz	XKKCHMCADBLDGG-JGVFFNPUSA-O	-1	0	331.284	0.299	50	30		ECEARM
C=CCN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)C(=O)NC1=S	ZINC000005061702	749167693	/nfs/dbraw/zinc/16/76/93/749167693.db2.gz	MQVKMHIMJSOCEH-WQLSENKSSA-N	-1	0	346.364	0.963	50	30		ECEARM
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc2C1=O	ZINC000012915916	211483208	/nfs/dbraw/zinc/48/32/08/211483208.db2.gz	DIKUMKJJSJKIMK-PRHODGIISA-N	-1	0	332.312	0.032	50	30		ECEARM
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)NC1=S	ZINC000002164638	435966081	/nfs/dbraw/zinc/96/60/81/435966081.db2.gz	FILSITLUAQZRBX-XYOKQWHBSA-N	-1	0	346.364	0.963	50	30		ECEARM
C=C(C)C[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-]	ZINC000630092290	440849009	/nfs/dbraw/zinc/84/90/09/440849009.db2.gz	CUNBGYSNZNJZJL-JQWIXIFHSA-N	-1	0	329.378	0.542	50	30		ECEARM
N#CCCN(C(=O)CSc1n[nH]c(=O)[n-]c1=O)c1ccccc1	ZINC000003221879	526451869	/nfs/dbraw/zinc/45/18/69/526451869.db2.gz	IJRSNWBBXOIRPW-UHFFFAOYSA-N	-1	0	331.357	0.909	50	30		ECEARM
O=C([O-])/C=N\N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O	ZINC000012662284	304024356	/nfs/dbraw/zinc/02/43/56/304024356.db2.gz	GFQPNHLYABUHBF-YVTAIUNXSA-N	-1	0	326.312	0.334	50	30		ECEARM
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(C=O)CC3)c2c1	ZINC000040267949	213286228	/nfs/dbraw/zinc/28/62/28/213286228.db2.gz	GSQLIIMGJYENBB-MRXNPFEDSA-N	-1	0	342.355	0.970	50	30		ECEARM
N#Cc1ccc(N2CCC[C@@H](NC(=O)c3n[nH]c(=O)[n-]3)C2)c(F)c1	ZINC000071890880	436029070	/nfs/dbraw/zinc/02/90/70/436029070.db2.gz	ABCQIUQLQPQTEA-SNVBAGLBSA-N	-1	0	330.323	0.508	50	30		ECEARM
COc1ccc(CN2C[C@H](C(=O)[N-]S(C)(=O)=O)CC2=O)cc1	ZINC000096403224	436530597	/nfs/dbraw/zinc/53/05/97/436530597.db2.gz	QCRBYXVXEZAHJF-LLVKDONJSA-N	-1	0	326.374	0.960	50	30		ECEARM
CCN1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000101314897	219121513	/nfs/dbraw/zinc/12/15/13/219121513.db2.gz	XTRBXVNNAWRUTF-ZGRFGGQFSA-N	-1	0	334.419	0.358	50	30		ECEARM
CCOc1cc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)ccc1O	ZINC000005398088	435989604	/nfs/dbraw/zinc/98/96/04/435989604.db2.gz	KNGFCSLRGLYOIO-SOFGYWHQSA-N	-1	0	346.339	0.790	50	30		ECEARM
COC(=O)[C@]1(CC(=O)c2ccc(F)cc2)NC(=S)NC([O-])=C1C#N	ZINC000006385054	435997156	/nfs/dbraw/zinc/99/71/56/435997156.db2.gz	LLULBPPJXYYODX-MEBBXXQBSA-N	-1	0	349.343	0.454	50	30		ECEARM
COc1ccccc1N=Nc1c(=O)[n-]n(C)c1NC(=O)C(F)(F)F	ZINC000006056726	435997382	/nfs/dbraw/zinc/99/73/82/435997382.db2.gz	RDYINHNOGFDWHL-CXQRDLCXSA-N	-1	0	343.265	0.927	50	30		ECEARM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000591667242	439054345	/nfs/dbraw/zinc/05/43/45/439054345.db2.gz	HDBXCBJRBMJHCP-AWEZNQCLSA-N	-1	0	342.348	0.952	50	30		ECEARM
Cn1cc(C=NNc2cc(C(=O)[O-])ccc2Cl)c(=O)n(C)c1=O	ZINC000606443456	439410320	/nfs/dbraw/zinc/41/03/20/439410320.db2.gz	GZRPAEGSAYVZRA-UHFFFAOYSA-N	-1	0	336.735	0.882	50	30		ECEARM
CCc1ccsc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000102758119	219228550	/nfs/dbraw/zinc/22/85/50/219228550.db2.gz	RMRPLYQOTPGPEP-LLVKDONJSA-N	-1	0	340.426	0.890	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CCc3cccnc3)C[C@H]2C1=O	ZINC000072454752	216243079	/nfs/dbraw/zinc/24/30/79/216243079.db2.gz	KTEXHWBPSQDBMY-KBXCAEBGSA-N	-1	0	343.383	0.572	50	30		ECEARM
COc1cc(C#N)ccc1OCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000069704927	435958707	/nfs/dbraw/zinc/95/87/07/435958707.db2.gz	ULCSNXWJBSQUBS-UHFFFAOYSA-N	-1	0	347.352	0.846	50	30		ECEARM
CCCCCC(=O)C[C@@]1(C(=O)OC)NC(=S)NC([O-])=C1C#N	ZINC000048547763	436454431	/nfs/dbraw/zinc/45/44/31/436454431.db2.gz	DADKYFCYNUSRAO-IINYFYTJSA-N	-1	0	325.390	0.582	50	30		ECEARM
N#Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccnc3)n2)cn1	ZINC000058355116	436624056	/nfs/dbraw/zinc/62/40/56/436624056.db2.gz	QGPWIMJCJOOGNO-UHFFFAOYSA-N	-1	0	341.356	0.789	50	30		ECEARM
Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[n-]c1=O	ZINC000253531459	436847050	/nfs/dbraw/zinc/84/70/50/436847050.db2.gz	RRVPSFRBWPECFX-UHFFFAOYSA-N	-1	0	335.236	0.854	50	30		ECEARM
O=S1(=O)CC=C(CSC(=S)[N-][C@@H]2CCS(=O)(=O)C2)C1	ZINC000334158289	437296822	/nfs/dbraw/zinc/29/68/22/437296822.db2.gz	DMSNOHNJCUANNV-SECBINFHSA-P	-1	0	342.509	0.694	50	30		ECEARM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@]1(O)CCOC1	ZINC000330466599	437523646	/nfs/dbraw/zinc/52/36/46/437523646.db2.gz	XMQTVONRMUXHLC-ZDUSSCGKSA-N	-1	0	332.353	0.653	50	30		ECEARM
CN(CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)C(=O)OC(C)(C)C	ZINC000078665035	522404549	/nfs/dbraw/zinc/40/45/49/522404549.db2.gz	BBBJOXRJCLMLRN-UHFFFAOYSA-N	-1	0	332.382	0.932	50	30		ECEARM
C=CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101221645	219119990	/nfs/dbraw/zinc/11/99/90/219119990.db2.gz	VXOBHIRWZAYFQY-RFLCHZHXSA-N	-1	0	346.430	0.524	50	30		ECEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccc(C#N)cc3)C[C@H]2C1=O	ZINC000072409326	216200756	/nfs/dbraw/zinc/20/07/56/216200756.db2.gz	SUECWSMBYABDDO-KBXCAEBGSA-N	-1	0	339.351	0.729	50	30		ECEARM
C=CCN1C[C@@H](C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)CC1=O	ZINC000072432602	216227509	/nfs/dbraw/zinc/22/75/09/216227509.db2.gz	RPOHDHCQOSXGCU-ZDUSSCGKSA-N	-1	0	346.387	0.320	50	30		ECEARM
N#Cc1cn(CCN2CCN(c3ccccc3)CC2)c(=O)[n-]c1=O	ZINC000058297499	436623115	/nfs/dbraw/zinc/62/31/15/436623115.db2.gz	QEGYLOYUQYEQTP-UHFFFAOYSA-N	-1	0	325.372	0.643	50	30		ECEARM
N#Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(Cl)c1	ZINC000225390918	436709907	/nfs/dbraw/zinc/70/99/07/436709907.db2.gz	MNLWZTVCRNFAAD-UHFFFAOYSA-N	-1	0	328.737	0.409	50	30		ECEARM
CCS[C@@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000585131652	439634652	/nfs/dbraw/zinc/63/46/52/439634652.db2.gz	BYVVMVYYWIBJQB-GFCCVEGCSA-N	-1	0	336.417	0.955	50	30		ECEARM
C[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1n[nH]c(CC(=O)[O-])n1	ZINC000952963281	612138591	/nfs/dbraw/zinc/13/85/91/612138591.db2.gz	JMZDINQPKQBRSB-SECBINFHSA-N	-1	0	346.343	0.638	50	30		ECEARM
CCOC(=O)c1csc(=NNC(=CC(=O)OC)C(=O)OC)[n-]1	ZINC000005243386	435986158	/nfs/dbraw/zinc/98/61/58/435986158.db2.gz	KJFHGLSRQDURNY-VGOFMYFVSA-N	-1	0	329.334	0.824	50	30		ECEARM
CCCc1occc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000225602835	436711255	/nfs/dbraw/zinc/71/12/55/436711255.db2.gz	PARBZVCGIWOROF-LBPRGKRZSA-N	-1	0	338.385	0.812	50	30		ECEARM