smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CC#CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000717951105	955151845	/nfs/dbraw/zinc/15/18/45/955151845.db2.gz	XWDVWEZJSQPERW-MNOVXSKESA-N	-1	1	267.329	0.104	10	30		CCEEMM
N#Cc1ccc(CN2CC[C@](O)(C(=O)[O-])C2)c(F)c1	ZINC000706427500	977316007	/nfs/dbraw/zinc/31/60/07/977316007.db2.gz	HOUYIOFKZMXBOX-CYBMUJFWSA-N	-1	1	264.256	0.719	10	30		CCEEMM
COCCCS(=O)(=O)[N-]c1ccc(N)cc1C#N	ZINC000071233994	176093116	/nfs/dbraw/zinc/09/31/16/176093116.db2.gz	NXBOQKFOEMPOFQ-UHFFFAOYSA-N	-1	1	269.326	0.919	10	30		CCEEMM
C=CCNC(=S)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-]	ZINC000006262015	170186329	/nfs/dbraw/zinc/18/63/29/170186329.db2.gz	YJJIRAPDIYMUBT-SECBINFHSA-N	-1	1	266.326	0.282	10	30		CCEEMM
C/C(=N\[O-])c1cc(C)ccc1OCC(=O)NC(N)=O	ZINC000035629174	172308914	/nfs/dbraw/zinc/30/89/14/172308914.db2.gz	MLNMZPAZALPQMN-OVCLIPMQSA-N	-1	1	265.269	0.767	10	30		CCEEMM
C#CCC[C@H](O)CNCc1ncc(C(=O)[O-])s1	ZINC000717852340	977922668	/nfs/dbraw/zinc/92/26/68/977922668.db2.gz	UZKRGNJMYQJTNZ-QMMMGPOBSA-N	-1	1	254.311	0.705	10	30		CCEEMM
CO[C@@]1(C(=O)[O-])CCN(Cc2cncc(C#N)c2)C1	ZINC000721612853	978122138	/nfs/dbraw/zinc/12/21/38/978122138.db2.gz	QGDBNMRUOUVEQR-ZDUSSCGKSA-N	-1	1	261.281	0.629	10	30		CCEEMM
C#CCCCCc1cc(=O)oc2[n-]c(=O)[nH]c(=O)c12	ZINC000148549911	350474708	/nfs/dbraw/zinc/47/47/08/350474708.db2.gz	GODZUPHCKAUUHG-UHFFFAOYSA-N	-1	1	260.249	0.516	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1cccc(C(=O)[O-])n1	ZINC000717891097	977924747	/nfs/dbraw/zinc/92/47/47/977924747.db2.gz	JEOXDXUZSIVPAS-UHFFFAOYSA-N	-1	1	261.281	0.075	10	30		CCEEMM
Cc1nnc(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)o1	ZINC000035406358	172176789	/nfs/dbraw/zinc/17/67/89/172176789.db2.gz	PEYVZWMBMNVKRJ-MRVPVSSYSA-N	-1	1	256.262	0.665	10	30		CCEEMM
C#CCN(C1CCCC1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000708479712	969034900	/nfs/dbraw/zinc/03/49/00/969034900.db2.gz	ZXQIMSSZPQWCLC-GFCCVEGCSA-N	-1	1	264.325	0.550	10	30		CCEEMM
C#CC(CC)(CC)NC(=O)CN[C@H](C(=O)[O-])C(C)C	ZINC000035391451	172175620	/nfs/dbraw/zinc/17/56/20/172175620.db2.gz	XPOWKTUKAXLLML-LBPRGKRZSA-N	-1	1	268.357	0.993	10	30		CCEEMM
CN(C)CC#CCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000717864865	977923401	/nfs/dbraw/zinc/92/34/01/977923401.db2.gz	GDKYZFXQSVRTEE-NWDGAFQWSA-N	-1	1	266.341	0.559	10	30		CCEEMM
N#CCCN(CCC#N)c1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040618170	174354130	/nfs/dbraw/zinc/35/41/30/174354130.db2.gz	QOHNWPXYHYEMGR-UHFFFAOYSA-N	-1	1	262.229	0.312	10	30		CCEEMM
Cc1nc(C)c(C#N)c(SCc2nc(=O)n(C)[n-]2)n1	ZINC000329458258	202345687	/nfs/dbraw/zinc/34/56/87/202345687.db2.gz	RAAOOBSEFBYJCD-UHFFFAOYSA-N	-1	1	276.325	0.679	10	30		CCEEMM
C[C@@H]1CCN(CC(=O)NCCC#N)C[C@H]1C(=O)[O-]	ZINC000693503288	968937871	/nfs/dbraw/zinc/93/78/71/968937871.db2.gz	NKBMNPDOAXQSEO-NXEZZACHSA-N	-1	1	253.302	0.059	10	30		CCEEMM
C#CCCCCCN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000686678145	976115410	/nfs/dbraw/zinc/11/54/10/976115410.db2.gz	OPKSSOMLIQRHDL-LLVKDONJSA-N	-1	1	252.314	0.455	10	30		CCEEMM
C#CCNC(=O)CN(CCC(=O)[O-])Cc1ccccc1	ZINC000701237960	976998056	/nfs/dbraw/zinc/99/80/56/976998056.db2.gz	YUOGJHZJHBBKGB-UHFFFAOYSA-N	-1	1	274.320	0.713	10	30		CCEEMM
CN(C)CC#CCNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000717957595	955152097	/nfs/dbraw/zinc/15/20/97/955152097.db2.gz	DHNCCCOECYOAPA-UHFFFAOYSA-N	-1	1	269.345	0.352	10	30		CCEEMM
C=CCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC	ZINC000161660627	350726907	/nfs/dbraw/zinc/72/69/07/350726907.db2.gz	ZOXOMVPWQRZUMJ-UHFFFAOYSA-N	-1	1	273.314	0.441	10	30		CCEEMM
C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000287869844	353672883	/nfs/dbraw/zinc/67/28/83/353672883.db2.gz	PWKSZUCAILRKNO-CBAPKCEASA-N	-1	1	256.283	0.607	10	30		CCEEMM
CN1CCO[C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@@H]21	ZINC000442671295	389855286	/nfs/dbraw/zinc/85/52/86/389855286.db2.gz	HLASJGCEWAUSPU-JSGCOSHPSA-N	-1	1	287.319	0.419	10	30		CCEEMM
C#CC1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1	ZINC000702219340	954897157	/nfs/dbraw/zinc/89/71/57/954897157.db2.gz	KNIBJDRCUFZABP-LLVKDONJSA-N	-1	1	250.298	0.017	10	30		CCEEMM
CN(C)CC#CCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000717867016	955150289	/nfs/dbraw/zinc/15/02/89/955150289.db2.gz	RZRONBRLBATTKH-UHFFFAOYSA-N	-1	1	274.320	0.609	10	30		CCEEMM
CN1CCO[C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@H]21	ZINC000442671298	389854994	/nfs/dbraw/zinc/85/49/94/389854994.db2.gz	HLASJGCEWAUSPU-OCCSQVGLSA-N	-1	1	287.319	0.419	10	30		CCEEMM
N#CCCCS(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCC2	ZINC000181271207	638327041	/nfs/dbraw/zinc/32/70/41/638327041.db2.gz	DPQXQWQYAQYYKP-UHFFFAOYSA-N	-1	1	296.352	0.652	10	30		CCEEMM
C#CCCCS(=O)(=O)NCC(F)(F)C(=O)[O-]	ZINC000710427061	977509066	/nfs/dbraw/zinc/50/90/66/977509066.db2.gz	XTQBMVOSFRBABP-UHFFFAOYSA-N	-1	1	255.242	0.039	10	30		CCEEMM
C#CCNC(=O)Cc1cc(=O)oc2cc([O-])ccc12	ZINC000090628292	180016400	/nfs/dbraw/zinc/01/64/00/180016400.db2.gz	SJUMGTOSGNBDQM-UHFFFAOYSA-N	-1	1	257.245	0.791	10	30		CCEEMM
CN(C)CC#CCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000717891780	955150174	/nfs/dbraw/zinc/15/01/74/955150174.db2.gz	OZODTANCCGFZCI-LBPRGKRZSA-N	-1	1	281.356	0.448	10	30		CCEEMM
CCC(CC)(CNC(=O)NCC#CCN(C)C)C(=O)[O-]	ZINC000717949045	969097600	/nfs/dbraw/zinc/09/76/00/969097600.db2.gz	DPNMGIJFSUBWCB-UHFFFAOYSA-N	-1	1	283.372	0.742	10	30		CCEEMM
N#Cc1cc(CN2CC[C@](O)(C(=O)[O-])C2)ccc1F	ZINC000706428144	977317382	/nfs/dbraw/zinc/31/73/82/977317382.db2.gz	ZJEPVNJDXIEDFD-CYBMUJFWSA-N	-1	1	264.256	0.719	10	30		CCEEMM
CC(=NNC(=N)N)/C(=N\[O-])C(=O)Nc1ccccc1C	ZINC000005711738	348002680	/nfs/dbraw/zinc/00/26/80/348002680.db2.gz	WITOOYSPFRHWOY-DKHJZJQXSA-N	-1	1	276.300	0.623	10	30		CCEEMM
C[C@@H](NCC(=O)Nc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000035387899	172171001	/nfs/dbraw/zinc/17/10/01/172171001.db2.gz	BRXJFYKUEGPJIS-SECBINFHSA-N	-1	1	261.281	0.754	10	30		CCEEMM
Cc1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CC(=O)[O-]	ZINC000536954548	330382888	/nfs/dbraw/zinc/38/28/88/330382888.db2.gz	OAOMYNSFRWPKQS-UHFFFAOYSA-N	-1	1	257.249	0.973	10	30		CCEEMM
C[C@H](C#N)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000123590430	646129594	/nfs/dbraw/zinc/12/95/94/646129594.db2.gz	YQYCQJCYXKZSPR-ZCFIWIBFSA-N	-1	1	273.245	0.924	10	30		CCEEMM
C#CCN(CC1CC1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000694803235	954795674	/nfs/dbraw/zinc/79/56/74/954795674.db2.gz	LXIJNJADOHEREV-NSHDSACASA-N	-1	1	250.298	0.017	10	30		CCEEMM
C[C@@H]1CCN(CC(=O)NCCC#N)C[C@@H]1C(=O)[O-]	ZINC000693503293	968938531	/nfs/dbraw/zinc/93/85/31/968938531.db2.gz	NKBMNPDOAXQSEO-ZJUUUORDSA-N	-1	1	253.302	0.059	10	30		CCEEMM
CN(C)CC#CCNC(=O)NCCCCC(=O)[O-]	ZINC000717893238	969097527	/nfs/dbraw/zinc/09/75/27/969097527.db2.gz	ZXBSPTWGZRBIEL-UHFFFAOYSA-N	-1	1	255.318	0.106	10	30		CCEEMM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)C(C)(C)C	ZINC000702266740	977075717	/nfs/dbraw/zinc/07/57/17/977075717.db2.gz	OLCFPURKOWPXRX-MRVPVSSYSA-N	-1	1	286.309	0.699	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1ccc(C(=O)[O-])o1	ZINC000717883760	977923296	/nfs/dbraw/zinc/92/32/96/977923296.db2.gz	XNPJJBGDQPOPLU-UHFFFAOYSA-N	-1	1	250.254	0.273	10	30		CCEEMM
[NH3+]CC#Cc1ccc([N-]S(=O)(=O)c2cn[n-]c2)cc1	ZINC000037745274	173668266	/nfs/dbraw/zinc/66/82/66/173668266.db2.gz	RRQKZWYBJHNYIQ-UHFFFAOYSA-N	-1	1	276.321	0.521	10	30		CCEEMM
N#Cc1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)c(F)c1	ZINC000706427502	977316385	/nfs/dbraw/zinc/31/63/85/977316385.db2.gz	HOUYIOFKZMXBOX-ZDUSSCGKSA-N	-1	1	264.256	0.719	10	30		CCEEMM
N#CCc1nc[n-]c(=O)c1I	ZINC000166953742	350804068	/nfs/dbraw/zinc/80/40/68/350804068.db2.gz	LTRWJEBYJDQZFJ-UHFFFAOYSA-N	-1	1	261.022	0.441	10	30		CCEEMM
COCCS(=O)(=O)[N-]c1ccc(F)cc1C#CCO	ZINC000042810628	174884418	/nfs/dbraw/zinc/88/44/18/174884418.db2.gz	JRWPBFBRDXIHHN-UHFFFAOYSA-N	-1	1	287.312	0.558	10	30		CCEEMM
O=C(CO[C@@H](c1ccccc1)[P@](=O)([O-])O)NO	ZINC000095556764	185008954	/nfs/dbraw/zinc/00/89/54/185008954.db2.gz	DJJLIOLSYJHFLV-SECBINFHSA-N	-1	1	261.170	0.385	10	30		CCEEMM
C#CCON=c1ncc(Br)c(C(=O)[O-])[nH]1	ZINC000757176774	581684518	/nfs/dbraw/zinc/68/45/18/581684518.db2.gz	DJVJIGMPHVVJHE-UHFFFAOYSA-N	-1	1	272.058	0.914	10	30		CCEEMM
C#Cc1cncc(C(=O)N2CCC[C@H]2c2nn[n-]n2)c1	ZINC000900392069	613213290	/nfs/dbraw/zinc/21/32/90/613213290.db2.gz	HDPHYUMEVKCPBL-NSHDSACASA-N	-1	1	268.280	0.553	10	30		CCEEMM
N#Cc1cncc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC000721603227	978120636	/nfs/dbraw/zinc/12/06/36/978120636.db2.gz	MAXSPMWNIXFSNK-NEPJUHHUSA-N	-1	1	261.281	0.221	10	30		CCEEMM
CC[C@@H](Oc1ccc2c(c1)OC/C2=N\[O-])C(N)=O	ZINC000062805420	523045004	/nfs/dbraw/zinc/04/50/04/523045004.db2.gz	ZLYNAGQKDBYZBX-GMROUXNLSA-N	-1	1	250.254	0.900	10	30		CCEEMM
C#CC(C)(C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC	ZINC000070119127	638458313	/nfs/dbraw/zinc/45/83/13/638458313.db2.gz	SZPHTCHOGFOECO-UHFFFAOYSA-N	-1	1	285.325	0.277	10	30		CCEEMM
COC[C@@]1(C(=O)[O-])CCCN1CCOCCC#N	ZINC000692369444	976434853	/nfs/dbraw/zinc/43/48/53/976434853.db2.gz	LOOAVLFEWUNADU-GFCCVEGCSA-N	-1	1	256.302	0.482	10	30		CCEEMM
C[C@H]1CCN(CC(=O)NCCC#N)C[C@H]1C(=O)[O-]	ZINC000693503291	968938305	/nfs/dbraw/zinc/93/83/05/968938305.db2.gz	NKBMNPDOAXQSEO-VHSXEESVSA-N	-1	1	253.302	0.059	10	30		CCEEMM
N#Cc1cc(CN2CC[C@@](O)(C(=O)[O-])C2)ccc1F	ZINC000706428146	977317019	/nfs/dbraw/zinc/31/70/19/977317019.db2.gz	ZJEPVNJDXIEDFD-ZDUSSCGKSA-N	-1	1	264.256	0.719	10	30		CCEEMM
CN(C)CC#CCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC000717890709	977924887	/nfs/dbraw/zinc/92/48/87/977924887.db2.gz	DGNOBKVMFLOFPG-GFCCVEGCSA-N	-1	1	281.356	0.352	10	30		CCEEMM
CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1	ZINC000188238681	388919651	/nfs/dbraw/zinc/91/96/51/388919651.db2.gz	LSGBEBGRLCHYJY-GFCCVEGCSA-N	-1	1	287.319	0.957	10	30		CCEEMM
CNC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)C	ZINC000188702469	388936970	/nfs/dbraw/zinc/93/69/70/388936970.db2.gz	KXJDJKJRRBWEQP-GFCCVEGCSA-N	-1	1	275.308	0.764	10	30		CCEEMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1cccnc1	ZINC000006613157	170218962	/nfs/dbraw/zinc/21/89/62/170218962.db2.gz	BYAQYGIMMYGBPV-KIKKFWRUSA-N	-1	1	292.320	0.868	10	30		CCEEMM
N#Cc1cncc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC000721603248	978120874	/nfs/dbraw/zinc/12/08/74/978120874.db2.gz	MAXSPMWNIXFSNK-RYUDHWBXSA-N	-1	1	261.281	0.221	10	30		CCEEMM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1C	ZINC000225867761	636958895	/nfs/dbraw/zinc/95/88/95/636958895.db2.gz	RFDKMEFHQHXGAW-JTQLQIEISA-N	-1	1	255.318	0.363	10	30		CCEEMM
CN(C)CC#CCNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC000717891468	955149957	/nfs/dbraw/zinc/14/99/57/955149957.db2.gz	MCAZAJKTJCKZLH-UHFFFAOYSA-N	-1	1	280.368	0.805	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000717881738	955150511	/nfs/dbraw/zinc/15/05/11/955150511.db2.gz	HPRWRHVGABRYGK-UHFFFAOYSA-N	-1	1	261.281	0.075	10	30		CCEEMM
CN(C)CC#CCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000717949536	955151471	/nfs/dbraw/zinc/15/14/71/955151471.db2.gz	LENXRYVBYSWVLV-CYBMUJFWSA-N	-1	1	267.329	0.058	10	30		CCEEMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1cccnc1	ZINC000006613155	170218782	/nfs/dbraw/zinc/21/87/82/170218782.db2.gz	BYAQYGIMMYGBPV-KLLFSAEGSA-N	-1	1	292.320	0.868	10	30		CCEEMM
O=S(=O)([N-]Cc1cccc(C#CCO)c1)C(F)F	ZINC000049590729	527232056	/nfs/dbraw/zinc/23/20/56/527232056.db2.gz	UMIQPEIVVALWHF-UHFFFAOYSA-N	-1	1	275.276	0.672	10	30		CCEEMM
N#Cc1ccc(F)c(CN2CC[C@@](O)(C(=O)[O-])C2)c1	ZINC000706427723	977317466	/nfs/dbraw/zinc/31/74/66/977317466.db2.gz	NPOFUCGQPYZATO-ZDUSSCGKSA-N	-1	1	264.256	0.719	10	30		CCEEMM
C=C(C)CN(CC)C(=O)CN1CC[C@@](OC)(C(=O)[O-])C1	ZINC000703741003	977180723	/nfs/dbraw/zinc/18/07/23/977180723.db2.gz	VQVCLSAZYGCVLQ-AWEZNQCLSA-N	-1	1	284.356	0.587	10	30		CCEEMM
C#CCS(=O)(=O)c1nc(-c2ccc(OC)cc2)n[n-]1	ZINC000147898086	350471223	/nfs/dbraw/zinc/47/12/23/350471223.db2.gz	RRARRJJVAOVERS-UHFFFAOYSA-N	-1	1	277.305	0.887	10	30		CCEEMM
C#CCS(=O)(=O)c1n[n-]c(-c2ccc(OC)cc2)n1	ZINC000147898086	350471226	/nfs/dbraw/zinc/47/12/26/350471226.db2.gz	RRARRJJVAOVERS-UHFFFAOYSA-N	-1	1	277.305	0.887	10	30		CCEEMM
C#CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000688824972	976194177	/nfs/dbraw/zinc/19/41/77/976194177.db2.gz	OAOJQLFODRYWFH-UHFFFAOYSA-N	-1	1	266.341	0.653	10	30		CCEEMM
C#CCN(CC(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000688824972	976194182	/nfs/dbraw/zinc/19/41/82/976194182.db2.gz	OAOJQLFODRYWFH-UHFFFAOYSA-N	-1	1	266.341	0.653	10	30		CCEEMM
Cc1cc(C(=O)[O-])oc1C(=O)NCC#CCN(C)C	ZINC000717228578	977883091	/nfs/dbraw/zinc/88/30/91/977883091.db2.gz	LJESRGTZSYUSIM-UHFFFAOYSA-N	-1	1	264.281	0.581	10	30		CCEEMM
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C[C@@H](NCC(=O)N(CC#N)c1ccccc1)C(=O)[O-]	ZINC000035388222	172171032	/nfs/dbraw/zinc/17/10/32/172171032.db2.gz	QZVRWKDHQJHFLS-SNVBAGLBSA-N	-1	1	261.281	0.606	10	30		CCEEMM
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CN1CCN(c2nc(-c3ccccn3)c(C#N)c(=O)[n-]2)CC1	ZINC000223968439	636912664	/nfs/dbraw/zinc/91/26/64/636912664.db2.gz	UXJVAHRJWSOQMH-UHFFFAOYSA-N	-1	1	296.334	0.455	10	30		CCEEMM
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CN(C)CC#CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000717951063	955152025	/nfs/dbraw/zinc/15/20/25/955152025.db2.gz	WXELMCCZSCHRDX-LLVKDONJSA-N	-1	1	267.329	0.058	10	30		CCEEMM
COc1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)cc1C#N	ZINC000706435828	977318276	/nfs/dbraw/zinc/31/82/76/977318276.db2.gz	SSSHOXOPIPEVJI-AWEZNQCLSA-N	-1	1	276.292	0.588	10	30		CCEEMM
C#CCN(CC1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000694803231	954794536	/nfs/dbraw/zinc/79/45/36/954794536.db2.gz	LXIJNJADOHEREV-LLVKDONJSA-N	-1	1	250.298	0.017	10	30		CCEEMM
C=C(C)CN(CC)C(=O)CN1CC[C@](OC)(C(=O)[O-])C1	ZINC000703741004	977181545	/nfs/dbraw/zinc/18/15/45/977181545.db2.gz	VQVCLSAZYGCVLQ-CQSZACIVSA-N	-1	1	284.356	0.587	10	30		CCEEMM
Cc1oc(C(=O)[O-])cc1C(=O)NCC#CCN(C)C	ZINC000717890762	977924461	/nfs/dbraw/zinc/92/44/61/977924461.db2.gz	FANBHOWFDSCJGT-UHFFFAOYSA-N	-1	1	264.281	0.581	10	30		CCEEMM
CO[C@]1(C(=O)[O-])CCN(Cc2cncc(C#N)c2)C1	ZINC000721612851	978122857	/nfs/dbraw/zinc/12/28/57/978122857.db2.gz	QGDBNMRUOUVEQR-CYBMUJFWSA-N	-1	1	261.281	0.629	10	30		CCEEMM
C=CCN(CC=C)C(=O)CN[C@@H](C(=O)[O-])C(C)C	ZINC000035391422	172175242	/nfs/dbraw/zinc/17/52/42/172175242.db2.gz	GCFHKCCUVRCHKY-GFCCVEGCSA-N	-1	1	254.330	0.886	10	30		CCEEMM
C#CCN(C1CCCC1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000708479714	969034997	/nfs/dbraw/zinc/03/49/97/969034997.db2.gz	ZXQIMSSZPQWCLC-LBPRGKRZSA-N	-1	1	264.325	0.550	10	30		CCEEMM
C#CC1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000692366806	976434659	/nfs/dbraw/zinc/43/46/59/976434659.db2.gz	AQTDCXUHLXRQKQ-UHFFFAOYSA-N	-1	1	278.352	0.655	10	30		CCEEMM
CN(C)CC#CCNC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000717950264	977925853	/nfs/dbraw/zinc/92/58/53/977925853.db2.gz	PNFKRCKGNKLATJ-LLVKDONJSA-N	-1	1	267.329	0.200	10	30		CCEEMM
C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(C#N)c([O-])c1	ZINC000188082986	231865801	/nfs/dbraw/zinc/86/58/01/231865801.db2.gz	KMOQUXNDKRBKEM-SECBINFHSA-N	-1	1	273.292	0.614	10	30		CCEEMM
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N/C(=N\O)c1cccnc1Sc1nccc(=O)[n-]1	ZINC000020483941	171223778	/nfs/dbraw/zinc/22/37/78/171223778.db2.gz	VHCDWZFHPYNHPX-UHFFFAOYSA-N	-1	1	263.282	0.411	10	30		CCEEMM
COc1cc(CN=Nc2nn[n-]n2)ccc1OCCO	ZINC000250384580	649764805	/nfs/dbraw/zinc/76/48/05/649764805.db2.gz	NKDRSBGVLWNVFB-UHFFFAOYSA-N	-1	1	278.272	0.025	10	30		CCEEMM
C#CCCCCCN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000686678146	976115322	/nfs/dbraw/zinc/11/53/22/976115322.db2.gz	OPKSSOMLIQRHDL-NSHDSACASA-N	-1	1	252.314	0.455	10	30		CCEEMM
CN(C)CC#CCNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000717891080	977924323	/nfs/dbraw/zinc/92/43/23/977924323.db2.gz	IXHZAQPVCFANQT-PHIMTYICSA-N	-1	1	267.329	0.056	10	30		CCEEMM
C#CCC[C@@H](O)CNCc1ncc(C(=O)[O-])s1	ZINC000717852336	977922194	/nfs/dbraw/zinc/92/21/94/977922194.db2.gz	UZKRGNJMYQJTNZ-MRVPVSSYSA-N	-1	1	254.311	0.705	10	30		CCEEMM
CN(C)CC#CCNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000717892865	977924809	/nfs/dbraw/zinc/92/48/09/977924809.db2.gz	WNNBDWZFHOXUSC-LLVKDONJSA-N	-1	1	265.313	0.024	10	30		CCEEMM
N/C(=N/[O-])c1cc([N+](=O)[O-])ccc1OCCCO	ZINC000050440240	526801805	/nfs/dbraw/zinc/80/18/05/526801805.db2.gz	PWJBNTVYRMSUHA-UHFFFAOYSA-N	-1	1	255.230	0.451	10	30		CCEEMM
C#CCN([C@@H]1CCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC000723038693	969119801	/nfs/dbraw/zinc/11/98/01/969119801.db2.gz	RROLIYMSEBUJLZ-SNVBAGLBSA-N	-1	1	252.314	0.406	10	30		CCEEMM
CN(C)CC#CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000717882910	969097289	/nfs/dbraw/zinc/09/72/89/969097289.db2.gz	SEOMGKRUAADZKM-SNVBAGLBSA-N	-1	1	254.330	0.415	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1ccc(C(=O)[O-])s1	ZINC000717882398	977923726	/nfs/dbraw/zinc/92/37/26/977923726.db2.gz	NDRQYJYXDIQJKX-UHFFFAOYSA-N	-1	1	266.322	0.741	10	30		CCEEMM
CN(C)c1ccc(C=Nc2c(N)nc(N)[n-]c2=O)cc1	ZINC000584655444	359186580	/nfs/dbraw/zinc/18/65/80/359186580.db2.gz	RFUKDMCZJHJFES-FRKPEAEDSA-N	-1	1	272.312	0.994	10	30		CCEEMM
CN(C)CC#CCNC(=O)C1(C(=O)[O-])CCSCC1	ZINC000717891142	969097455	/nfs/dbraw/zinc/09/74/55/969097455.db2.gz	JTNNHSDTHMXUSM-UHFFFAOYSA-N	-1	1	284.381	0.266	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1cc(C(=O)[O-])co1	ZINC000717883167	977923776	/nfs/dbraw/zinc/92/37/76/977923776.db2.gz	UNMRGLLKHIIHTG-UHFFFAOYSA-N	-1	1	250.254	0.273	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1ccsc1CC(=O)[O-]	ZINC000717893245	977924499	/nfs/dbraw/zinc/92/44/99/977924499.db2.gz	ZYZWICUHDHMGEG-UHFFFAOYSA-N	-1	1	280.349	0.670	10	30		CCEEMM
CN(C)CC#CCNC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000717950265	977925808	/nfs/dbraw/zinc/92/58/08/977925808.db2.gz	PNFKRCKGNKLATJ-NSHDSACASA-N	-1	1	267.329	0.200	10	30		CCEEMM
CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000408114324	357924127	/nfs/dbraw/zinc/92/41/27/357924127.db2.gz	XEMJPBHTFAWLLR-VIFPVBQESA-N	-1	1	283.309	0.050	10	30		CCEEMM
C#CC(CC)(CC)NC(=O)CN[C@@H](C(=O)[O-])C(C)C	ZINC000035391452	172175003	/nfs/dbraw/zinc/17/50/03/172175003.db2.gz	XPOWKTUKAXLLML-GFCCVEGCSA-N	-1	1	268.357	0.993	10	30		CCEEMM
CC[C@H](C#N)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000160848527	261228174	/nfs/dbraw/zinc/22/81/74/261228174.db2.gz	IGIDNIASDCBNHX-ZCFIWIBFSA-N	-1	1	262.722	0.654	10	30		CCEEMM
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CN(C)CC#CCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000717891777	955150475	/nfs/dbraw/zinc/15/04/75/955150475.db2.gz	OZODTANCCGFZCI-GFCCVEGCSA-N	-1	1	281.356	0.448	10	30		CCEEMM
C[C@H]1[C@H](NC(=O)OCc2ccccc2)C(=O)N1[O-]	ZINC000034120184	348148979	/nfs/dbraw/zinc/14/89/79/348148979.db2.gz	GBGIGAPVOAQZAM-WPRPVWTQSA-N	-1	1	250.254	0.901	10	30		CCEEMM
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CN1CCN(c2nc(-c3ccco3)c(C#N)c(=O)[n-]2)CC1	ZINC000223968600	636911753	/nfs/dbraw/zinc/91/17/53/636911753.db2.gz	DKKNVJASJWTAJK-UHFFFAOYSA-N	-1	1	285.307	0.653	10	30		CCEEMM
CN(C)CC#CCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000717893217	955150096	/nfs/dbraw/zinc/15/00/96/955150096.db2.gz	ZNZYUUYAMNPEEU-UHFFFAOYSA-N	-1	1	281.356	0.494	10	30		CCEEMM
CN(C)CC#CCNC(=O)NCCCCCC(=O)[O-]	ZINC000717959321	955152109	/nfs/dbraw/zinc/15/21/09/955152109.db2.gz	RPJLXRSKRGXIAH-UHFFFAOYSA-N	-1	1	269.345	0.496	10	30		CCEEMM
COc1ccc(CN2CC[C@](O)(C(=O)[O-])C2)cc1C#N	ZINC000706435829	977318685	/nfs/dbraw/zinc/31/86/85/977318685.db2.gz	SSSHOXOPIPEVJI-CQSZACIVSA-N	-1	1	276.292	0.588	10	30		CCEEMM
CC(C)(C)OC(=O)N[C@H]1Cc2c[nH]nc2N([O-])C1=O	ZINC000584644019	411833418	/nfs/dbraw/zinc/83/34/18/411833418.db2.gz	LKAIDRNLWHOEOD-ZETCQYMHSA-N	-1	1	268.273	0.581	10	30		CCEEMM
CN(C)CC#CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000717882908	969097107	/nfs/dbraw/zinc/09/71/07/969097107.db2.gz	SEOMGKRUAADZKM-JTQLQIEISA-N	-1	1	254.330	0.415	10	30		CCEEMM
C[C@H]1CN(C(=O)NCC#CCN(C)C)CC[C@H]1C(=O)[O-]	ZINC000717890443	977924733	/nfs/dbraw/zinc/92/47/33/977924733.db2.gz	AMZCJBVTPJBNID-NWDGAFQWSA-N	-1	1	281.356	0.304	10	30		CCEEMM
CN(C)CC#CCNC(=O)NC1CC(CC(=O)[O-])C1	ZINC000718072484	977940753	/nfs/dbraw/zinc/94/07/53/977940753.db2.gz	HVJCMVLQXXONNA-UHFFFAOYSA-N	-1	1	267.329	0.104	10	30		CCEEMM
CN1CCO[C@@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@H]21	ZINC000442671300	389855273	/nfs/dbraw/zinc/85/52/73/389855273.db2.gz	HLASJGCEWAUSPU-TZMCWYRMSA-N	-1	1	287.319	0.419	10	30		CCEEMM
Cc1[nH]n(-c2cccc(C#N)c2)c(=O)c1CC(=O)[O-]	ZINC000536952573	330382604	/nfs/dbraw/zinc/38/26/04/330382604.db2.gz	CSZNSMADNHWJPY-UHFFFAOYSA-N	-1	1	257.249	0.973	10	30		CCEEMM
CN(C)CC#CCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000717949352	955152121	/nfs/dbraw/zinc/15/21/21/955152121.db2.gz	JHQGNJHQKCPTHH-UHFFFAOYSA-N	-1	1	267.329	0.106	10	30		CCEEMM
CN(C)CC#CCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000717951064	969097405	/nfs/dbraw/zinc/09/74/05/969097405.db2.gz	WXELMCCZSCHRDX-NSHDSACASA-N	-1	1	267.329	0.058	10	30		CCEEMM
Cc1ccc(-c2nc(N3CCN(C)CC3)[n-]c(=O)c2C#N)o1	ZINC000223968673	636912189	/nfs/dbraw/zinc/91/21/89/636912189.db2.gz	NCYCBPWHYKTSGC-UHFFFAOYSA-N	-1	1	299.334	0.962	10	30		CCEEMM
C=CCC1(O)CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1	ZINC000717181126	969092109	/nfs/dbraw/zinc/09/21/09/969092109.db2.gz	NIWOTLCQKKUUEE-NSHDSACASA-N	-1	1	282.340	0.075	10	30		CCEEMM
CO[C@H]1CN(CCOCCC#N)[C@@](C)(C(=O)[O-])C1	ZINC000702752034	977121934	/nfs/dbraw/zinc/12/19/34/977121934.db2.gz	USEOPKPYKBSNOU-ZYHUDNBSSA-N	-1	1	256.302	0.481	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1ccccc1C(=O)[O-]	ZINC000717864567	977923847	/nfs/dbraw/zinc/92/38/47/977923847.db2.gz	CMYIVRXNAQDOPV-UHFFFAOYSA-N	-1	1	260.293	0.680	10	30		CCEEMM
CN(C)CC#CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000717953587	977925455	/nfs/dbraw/zinc/92/54/55/977925455.db2.gz	CGCNOKBSTABJTF-WDEREUQCSA-N	-1	1	252.314	0.169	10	30		CCEEMM
C[C@H](NCC(=O)Nc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000035387898	172170628	/nfs/dbraw/zinc/17/06/28/172170628.db2.gz	BRXJFYKUEGPJIS-VIFPVBQESA-N	-1	1	261.281	0.754	10	30		CCEEMM
Cc1nnc(NC(=O)CN[C@H](C(=O)[O-])C(C)C)o1	ZINC000035406356	172177193	/nfs/dbraw/zinc/17/71/93/172177193.db2.gz	PEYVZWMBMNVKRJ-QMMMGPOBSA-N	-1	1	256.262	0.665	10	30		CCEEMM
CC[C@H](Oc1ccc2c(c1)OC/C2=N\[O-])C(N)=O	ZINC000062805419	522876231	/nfs/dbraw/zinc/87/62/31/522876231.db2.gz	ZLYNAGQKDBYZBX-RSYJBZMQSA-N	-1	1	250.254	0.900	10	30		CCEEMM
CN(C)C(=O)COc1ccc2c(c1)OC/C2=N\[O-]	ZINC000062805501	523996218	/nfs/dbraw/zinc/99/62/18/523996218.db2.gz	IKLIQRQWGXZZJM-JLHYYAGUSA-N	-1	1	250.254	0.724	10	30		CCEEMM
C#Cc1cncc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)c1	ZINC000900392068	613213274	/nfs/dbraw/zinc/21/32/74/613213274.db2.gz	HDPHYUMEVKCPBL-LLVKDONJSA-N	-1	1	268.280	0.553	10	30		CCEEMM
O=[P@]([O-])(O)CCOCCOCCOCCS	ZINC000309328445	354186282	/nfs/dbraw/zinc/18/62/82/354186282.db2.gz	UBKOBPQABCOCDH-UHFFFAOYSA-N	-1	1	274.275	0.144	10	30		CCEEMM
N#Cc1ccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1[O-]	ZINC000407958022	357838664	/nfs/dbraw/zinc/83/86/64/357838664.db2.gz	QKPDXZNHWHHRFJ-VXGBXAGGSA-N	-1	1	285.303	0.614	10	30		CCEEMM
C=CCC1(O)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1	ZINC000717181124	969091980	/nfs/dbraw/zinc/09/19/80/969091980.db2.gz	NIWOTLCQKKUUEE-LLVKDONJSA-N	-1	1	282.340	0.075	10	30		CCEEMM
C#CC1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1	ZINC000702219343	954897444	/nfs/dbraw/zinc/89/74/44/954897444.db2.gz	KNIBJDRCUFZABP-NSHDSACASA-N	-1	1	250.298	0.017	10	30		CCEEMM
N/C(=N\O)c1ccc(Sc2nccc(=O)[n-]2)nc1	ZINC000020483939	171223622	/nfs/dbraw/zinc/22/36/22/171223622.db2.gz	RBJJIKPAEYVFOT-UHFFFAOYSA-N	-1	1	263.282	0.411	10	30		CCEEMM
COC(=O)Cc1c[n-]n(-c2cccc(C#N)c2)c1=O	ZINC000536954766	330382916	/nfs/dbraw/zinc/38/29/16/330382916.db2.gz	PYIDRXFGVSGVIK-UHFFFAOYSA-N	-1	1	257.249	0.753	10	30		CCEEMM
CN(C)CC#CCNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC000717951075	977925661	/nfs/dbraw/zinc/92/56/61/977925661.db2.gz	XDCRPEFNLHLVKR-NEPJUHHUSA-N	-1	1	281.356	0.494	10	30		CCEEMM
C=CCCS(=O)(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-]	ZINC000275072256	389509474	/nfs/dbraw/zinc/50/94/74/389509474.db2.gz	HDNOPRJKIUHGNP-SNVBAGLBSA-N	-1	1	285.325	0.127	10	30		CCEEMM
C#CCN([C@H]1CCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC000723038692	969119573	/nfs/dbraw/zinc/11/95/73/969119573.db2.gz	RROLIYMSEBUJLZ-JTQLQIEISA-N	-1	1	252.314	0.406	10	30		CCEEMM
CO[C@@H]1CN(CCOCCC#N)[C@@](C)(C(=O)[O-])C1	ZINC000702752028	977122202	/nfs/dbraw/zinc/12/22/02/977122202.db2.gz	USEOPKPYKBSNOU-CMPLNLGQSA-N	-1	1	256.302	0.481	10	30		CCEEMM
CC(C)C[C@H](CNC(=O)NCC#CCN(C)C)C(=O)[O-]	ZINC000717949396	955151781	/nfs/dbraw/zinc/15/17/81/955151781.db2.gz	JOHNGGBVGUENNJ-GFCCVEGCSA-N	-1	1	283.372	0.598	10	30		CCEEMM
CN(C)CC#CCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000717949540	955151922	/nfs/dbraw/zinc/15/19/22/955151922.db2.gz	LENXRYVBYSWVLV-ZDUSSCGKSA-N	-1	1	267.329	0.058	10	30		CCEEMM
COC(=O)Cc1c[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000536953783	358546984	/nfs/dbraw/zinc/54/69/84/358546984.db2.gz	KFHYDBQGUKTTJR-UHFFFAOYSA-N	-1	1	257.249	0.753	10	30		CCEEMM
NC(=O)CSc1nnc(NN=Cc2ccco2)[n-]1	ZINC000006333979	170193065	/nfs/dbraw/zinc/19/30/65/170193065.db2.gz	KUIXNWAMTSIAJE-NYYWCZLTSA-N	-1	1	266.286	0.421	10	30		CCEEMM
CN1CCO[C@@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@@H]21	ZINC000408224873	277123021	/nfs/dbraw/zinc/12/30/21/277123021.db2.gz	HLASJGCEWAUSPU-GXTWGEPZSA-N	-1	1	287.319	0.419	10	30		CCEEMM
[O-]/N=C1\COc2cc(OCCOCCO)ccc21	ZINC000062805428	527559066	/nfs/dbraw/zinc/55/90/66/527559066.db2.gz	VHNDJOUDBIXCHQ-ACCUITESSA-N	-1	1	253.254	0.645	10	30		CCEEMM
C[C@H](NCC(=O)N(CC#N)c1ccccc1)C(=O)[O-]	ZINC000035388220	172170352	/nfs/dbraw/zinc/17/03/52/172170352.db2.gz	QZVRWKDHQJHFLS-JTQLQIEISA-N	-1	1	261.281	0.606	10	30		CCEEMM
CC(C)C[C@@H](CNC(=O)NCC#CCN(C)C)C(=O)[O-]	ZINC000717949399	955151689	/nfs/dbraw/zinc/15/16/89/955151689.db2.gz	JOHNGGBVGUENNJ-LBPRGKRZSA-N	-1	1	283.372	0.598	10	30		CCEEMM
C[C@H]1CCN(CC(=O)NCCC#N)C[C@@H]1C(=O)[O-]	ZINC000693503290	968938268	/nfs/dbraw/zinc/93/82/68/968938268.db2.gz	NKBMNPDOAXQSEO-UWVGGRQHSA-N	-1	1	253.302	0.059	10	30		CCEEMM
N=C(N)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000003266009	347980419	/nfs/dbraw/zinc/98/04/19/347980419.db2.gz	HBKZXTIZSKZYJP-KGVSQERTSA-N	-1	1	257.637	0.771	10	30		CCEEMM
COCCS(=O)(=O)[N-]c1ccc(C#CCO)cc1F	ZINC000042810610	174884229	/nfs/dbraw/zinc/88/42/29/174884229.db2.gz	KFDLZSRKXFMQLH-UHFFFAOYSA-N	-1	1	287.312	0.558	10	30		CCEEMM
O=S(=O)([N-]Cc1ccccc1C#CCO)C(F)F	ZINC000049590696	527231176	/nfs/dbraw/zinc/23/11/76/527231176.db2.gz	VWIMFTMPURMTIB-UHFFFAOYSA-N	-1	1	275.276	0.672	10	30		CCEEMM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)C(C)(C)C	ZINC000702266741	977075603	/nfs/dbraw/zinc/07/56/03/977075603.db2.gz	OLCFPURKOWPXRX-QMMMGPOBSA-N	-1	1	286.309	0.699	10	30		CCEEMM
CO[C@@H]1CN(CCOCCC#N)[C@](C)(C(=O)[O-])C1	ZINC000702752030	977122645	/nfs/dbraw/zinc/12/26/45/977122645.db2.gz	USEOPKPYKBSNOU-JQWIXIFHSA-N	-1	1	256.302	0.481	10	30		CCEEMM
CN(C)CC#CCNC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000717892869	977924280	/nfs/dbraw/zinc/92/42/80/977924280.db2.gz	WNNBDWZFHOXUSC-NSHDSACASA-N	-1	1	265.313	0.024	10	30		CCEEMM
CN(C)CC#CCNC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC000717890711	977924551	/nfs/dbraw/zinc/92/45/51/977924551.db2.gz	DGNOBKVMFLOFPG-LBPRGKRZSA-N	-1	1	281.356	0.352	10	30		CCEEMM
CN(C)CC#CCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000717949753	955151767	/nfs/dbraw/zinc/15/17/67/955151767.db2.gz	MOCAILQWSRQGBV-UHFFFAOYSA-N	-1	1	267.329	0.058	10	30		CCEEMM
N#Cc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1[O-]	ZINC000188487223	388929788	/nfs/dbraw/zinc/92/97/88/388929788.db2.gz	OJBYGKVFZCVBQH-NSHDSACASA-N	-1	1	283.291	0.600	10	30		CCEEMM
C=CCNC(=S)N1Cc2[nH]cnc2C[C@H]1C(=O)[O-]	ZINC000006262016	170186246	/nfs/dbraw/zinc/18/62/46/170186246.db2.gz	YJJIRAPDIYMUBT-VIFPVBQESA-N	-1	1	266.326	0.282	10	30		CCEEMM
CN(C)CC#CCNC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000717881941	955150071	/nfs/dbraw/zinc/15/00/71/955150071.db2.gz	IISOJMAFYQRMKY-UHFFFAOYSA-N	-1	1	276.296	0.466	10	30		CCEEMM
CN(C)CC#CCNC(=O)N(C)CCCC(=O)[O-]	ZINC000717892466	955150228	/nfs/dbraw/zinc/15/02/28/955150228.db2.gz	SMWMJJRBJBMSGO-UHFFFAOYSA-N	-1	1	255.318	0.058	10	30		CCEEMM
C=CCN(CC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1C	ZINC000225867779	636958167	/nfs/dbraw/zinc/95/81/67/636958167.db2.gz	RFDKMEFHQHXGAW-SNVBAGLBSA-N	-1	1	255.318	0.363	10	30		CCEEMM
C=CCNC(=O)CNCc1csc(C(=O)[O-])c1	ZINC000689090047	976216525	/nfs/dbraw/zinc/21/65/25/976216525.db2.gz	UPSAOWWVWNKDLC-UHFFFAOYSA-N	-1	1	254.311	0.838	10	30		CCEEMM
N#Cc1cncc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC000721603244	978120865	/nfs/dbraw/zinc/12/08/65/978120865.db2.gz	MAXSPMWNIXFSNK-NWDGAFQWSA-N	-1	1	261.281	0.221	10	30		CCEEMM
O=C(CO[C@H](c1ccccc1)[P@](=O)([O-])O)NO	ZINC000095556763	185008901	/nfs/dbraw/zinc/00/89/01/185008901.db2.gz	DJJLIOLSYJHFLV-VIFPVBQESA-N	-1	1	261.170	0.385	10	30		CCEEMM
C=CCCS(=O)(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)[O-]	ZINC000275072248	353183020	/nfs/dbraw/zinc/18/30/20/353183020.db2.gz	HDNOPRJKIUHGNP-JTQLQIEISA-N	-1	1	285.325	0.127	10	30		CCEEMM
CCOC(=O)C=Nc1c(N)n(C)c(=S)[n-]c1=O	ZINC000584659687	359187238	/nfs/dbraw/zinc/18/72/38/359187238.db2.gz	QREGAHBGIZBHNG-NYYWCZLTSA-N	-1	1	256.287	0.703	10	30		CCEEMM
N#Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1[O-]	ZINC000188487199	388930059	/nfs/dbraw/zinc/93/00/59/388930059.db2.gz	OJBYGKVFZCVBQH-LLVKDONJSA-N	-1	1	283.291	0.600	10	30		CCEEMM
CN(C)c1nc(C(=O)N2CCC(C#N)CC2)cc(=O)[n-]1	ZINC000408242572	389837297	/nfs/dbraw/zinc/83/72/97/389837297.db2.gz	WBQFOCOTLORCQB-UHFFFAOYSA-N	-1	1	275.312	0.624	10	30		CCEEMM
Cc1nn(C)cc1C=NNc1nnc(SCC#N)[n-]1	ZINC000020424186	171190704	/nfs/dbraw/zinc/19/07/04/171190704.db2.gz	YOEQWKPCLOBBTH-LFYBBSHMSA-N	-1	1	276.329	0.908	10	30		CCEEMM
CO[C@H]1CN(CCOCCC#N)[C@](C)(C(=O)[O-])C1	ZINC000702752032	977122298	/nfs/dbraw/zinc/12/22/98/977122298.db2.gz	USEOPKPYKBSNOU-PWSUYJOCSA-N	-1	1	256.302	0.481	10	30		CCEEMM
[O-]/N=C1/CCc2c(no[n+]2[O-])C1=NNc1ccccc1	ZINC000102688561	296597916	/nfs/dbraw/zinc/59/79/16/296597916.db2.gz	YFXLAGXFGCCWIV-FCNLOUOCSA-N	-1	1	273.252	0.901	10	30		CCEEMM
N#Cc1ccc(F)c(CN2CC[C@](O)(C(=O)[O-])C2)c1	ZINC000706427722	977317672	/nfs/dbraw/zinc/31/76/72/977317672.db2.gz	NPOFUCGQPYZATO-CYBMUJFWSA-N	-1	1	264.256	0.719	10	30		CCEEMM
N#Cc1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000022175409	171370472	/nfs/dbraw/zinc/37/04/72/171370472.db2.gz	MBYXRMYQQXKNRG-GFCCVEGCSA-N	-1	1	284.275	0.707	10	30		CCEEMM
CN(C)CC#CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000717953580	969096967	/nfs/dbraw/zinc/09/69/67/969096967.db2.gz	CGCNOKBSTABJTF-MNOVXSKESA-N	-1	1	252.314	0.169	10	30		CCEEMM
N#CCCNC(=O)CN(CCC(=O)[O-])Cc1ccccc1	ZINC000701314527	977005172	/nfs/dbraw/zinc/00/51/72/977005172.db2.gz	ZRNPDKRNVRLAPD-UHFFFAOYSA-N	-1	1	289.335	0.993	10	30		CCEEMM
N/C(=N/[O-])c1cc([N+](=O)[O-])ccc1SCCO	ZINC000050440321	526802398	/nfs/dbraw/zinc/80/23/98/526802398.db2.gz	XOBZDXPOHCKHDP-UHFFFAOYSA-N	-1	1	257.271	0.774	10	30		CCEEMM
C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000287869841	353672458	/nfs/dbraw/zinc/67/24/58/353672458.db2.gz	PWKSZUCAILRKNO-APPZFPTMSA-N	-1	1	256.283	0.607	10	30		CCEEMM
CN(C)CC#CCNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000717891090	955150532	/nfs/dbraw/zinc/15/05/32/955150532.db2.gz	IYAXXMRGEZHCCP-UHFFFAOYSA-N	-1	1	261.281	0.075	10	30		CCEEMM
CN(C)CC#CCNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000717865480	977923227	/nfs/dbraw/zinc/92/32/27/977923227.db2.gz	JRWOXLSLHPJAMX-UHFFFAOYSA-N	-1	1	254.330	0.559	10	30		CCEEMM
C[C@H]1CN(C(=O)NCC#CCN(C)C)C[C@]1(C)C(=O)[O-]	ZINC000717959477	977926370	/nfs/dbraw/zinc/92/63/70/977926370.db2.gz	VEFJCUUGMLQJJU-FZMZJTMJSA-N	-1	1	281.356	0.304	10	30		CCEEMM
N/C(=N\O)c1ccnc(Sc2nccc(=O)[n-]2)c1	ZINC000020483938	171223715	/nfs/dbraw/zinc/22/37/15/171223715.db2.gz	VVPGHWDNIILATR-UHFFFAOYSA-N	-1	1	263.282	0.823	10	30		CCEEMM
C=CCN(Cc1cccs1)C(=O)CNCC(=O)[O-]	ZINC000035385176	172167364	/nfs/dbraw/zinc/16/73/64/172167364.db2.gz	DCIYHWMFESFUCI-UHFFFAOYSA-N	-1	1	268.338	0.937	10	30		CCEEMM