smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Oc1ccc(/C=C2\NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000014011428	230371340	/nfs/dbraw/zinc/37/13/40/230371340.db2.gz	OWTWMCDGDJMLEM-LOBLAWFCSA-N	-1	1	276.248	0.719	50	0		CCAAMM
C[C@@H](Nc1ncc(F)c(N(C)C)n1)c1nn[n-]n1	ZINC000095384493	349606412	/nfs/dbraw/zinc/60/64/12/349606412.db2.gz	YEQIZFVFJQAUCA-RXMQYKEDSA-N	-1	1	252.257	0.368	50	0		CCAAMM
CCc1nc(C)c(C(=O)NCc2nn[n-]n2)s1	ZINC000097179306	349632037	/nfs/dbraw/zinc/63/20/37/349632037.db2.gz	RLKKXZGJKSVGDE-UHFFFAOYSA-N	-1	1	252.303	0.457	50	0		CCAAMM
COC(=O)[C@]([O-])(NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000004594501	347999325	/nfs/dbraw/zinc/99/93/25/347999325.db2.gz	SHIDZFBWGGFCLD-MRVPVSSYSA-N	-1	1	273.207	0.935	50	0		CCAAMM
O=C([O-])[C@H]1CNCCN1C(=O)OCc1ccccc1	ZINC000016697365	348050188	/nfs/dbraw/zinc/05/01/88/348050188.db2.gz	KEIDRYXLYCWVSP-LLVKDONJSA-N	-1	1	264.281	0.682	50	0		CCAAMM
Cc1cc(=O)n(-c2ccc(S(N)(=O)=O)cc2)[n-]1	ZINC000018277046	348056980	/nfs/dbraw/zinc/05/69/80/348056980.db2.gz	GLOOJKUWIGSFGC-UHFFFAOYSA-N	-1	1	253.283	0.447	50	0		CCAAMM
O=C(Nc1nn[n-]n1)C1=NO[C@@H](c2ccccc2)C1	ZINC000071796047	348910855	/nfs/dbraw/zinc/91/08/55/348910855.db2.gz	RNGXRHSRWYUDDR-SECBINFHSA-N	-1	1	258.241	0.656	50	0		CCAAMM
C[C@](O)(CNS(=O)(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000090276717	179947431	/nfs/dbraw/zinc/94/74/31/179947431.db2.gz	FZTSRXZTPPKKHH-JTQLQIEISA-N	-1	1	295.263	0.079	50	0		CCAAMM
O=C1CCCN1CCC[N-]S(=O)(=O)c1nccs1	ZINC000089885334	349410538	/nfs/dbraw/zinc/41/05/38/349410538.db2.gz	WLAAQYPVKNRWJP-UHFFFAOYSA-N	-1	1	289.382	0.434	50	0		CCAAMM
O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCNCC1	ZINC000238161972	352300875	/nfs/dbraw/zinc/30/08/75/352300875.db2.gz	OCAQHHZHGUBCNO-UHFFFAOYSA-N	-1	1	290.298	0.762	50	0		CCAAMM
Cc1nn(CC(=O)NCCc2nn[n-]n2)c(C)c1Cl	ZINC000299763554	354048630	/nfs/dbraw/zinc/04/86/30/354048630.db2.gz	WTQSTERTUZVZPR-UHFFFAOYSA-N	-1	1	283.723	0.025	50	0		CCAAMM
CNC(=O)CCC(C)(C)NC(=O)c1ccc([O-])cn1	ZINC000584899093	359239399	/nfs/dbraw/zinc/23/93/99/359239399.db2.gz	KBCHLLYILOXCNZ-UHFFFAOYSA-N	-1	1	265.313	0.822	50	0		CCAAMM
C[C@H](c1ccncn1)N(C)Cc1cc(=O)n2[n-]cnc2n1	ZINC000334159575	206120844	/nfs/dbraw/zinc/12/08/44/206120844.db2.gz	CKCBZFNDMHRZMB-SECBINFHSA-N	-1	1	285.311	0.401	50	0		CCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCCOC)n1	ZINC000011443329	388771330	/nfs/dbraw/zinc/77/13/30/388771330.db2.gz	GTCBDXLSQVOXAD-UHFFFAOYSA-N	-1	1	285.369	0.577	50	0		CCAAMM
Clc1ccc(-c2nnn(Cc3nn[n-]n3)n2)cc1	ZINC000012374768	388782568	/nfs/dbraw/zinc/78/25/68/388782568.db2.gz	RHDADGKKYHETDZ-UHFFFAOYSA-N	-1	1	262.664	0.555	50	0		CCAAMM
COc1ccc(CS(=O)(=O)c2ncn[n-]2)cc1	ZINC000005702670	170130836	/nfs/dbraw/zinc/13/08/36/170130836.db2.gz	KCVPBNPFYJAIED-UHFFFAOYSA-N	-1	1	253.283	0.787	50	0		CCAAMM
COc1ccc(CS(=O)(=O)c2nc[n-]n2)cc1	ZINC000005702670	170130837	/nfs/dbraw/zinc/13/08/37/170130837.db2.gz	KCVPBNPFYJAIED-UHFFFAOYSA-N	-1	1	253.283	0.787	50	0		CCAAMM
CSc1ccc(-c2nnn(Cc3nn[n-]n3)n2)cc1	ZINC000006703537	170230614	/nfs/dbraw/zinc/23/06/14/170230614.db2.gz	CSPUAMOVSMOHNN-UHFFFAOYSA-N	-1	1	274.313	0.623	50	0		CCAAMM
O=c1c2cnc3ncnn3c2ccn1-c1ncccc1[O-]	ZINC000038784074	174155465	/nfs/dbraw/zinc/15/54/65/174155465.db2.gz	LHXVMGVTPHTHOT-UHFFFAOYSA-N	-1	1	280.247	0.529	50	0		CCAAMM
CC(=O)c1c([O-])n(CCc2ccccc2)c(=O)[nH]c1=O	ZINC000013842536	278241880	/nfs/dbraw/zinc/24/18/80/278241880.db2.gz	ZDIFISAWNNXIIU-UHFFFAOYSA-N	-1	1	274.276	0.688	50	0		CCAAMM
Cc1nc2c(nc(C)nc2-n2cc(F)c(=O)[n-]c2=O)o1	ZINC000000229403	279114721	/nfs/dbraw/zinc/11/47/21/279114721.db2.gz	COUXRZIGMBMWOY-UHFFFAOYSA-N	-1	1	277.215	0.213	50	0		CCAAMM
CCc1nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)[O-])no1	ZINC000534588260	328316534	/nfs/dbraw/zinc/31/65/34/328316534.db2.gz	HFVCTFOAAIAARO-VIFPVBQESA-N	-1	1	277.284	0.367	50	0		CCAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1c1ncnc2nc[nH]c21	ZINC000095529160	649762848	/nfs/dbraw/zinc/76/28/48/649762848.db2.gz	VLBFMFYEDCZTKP-QMMMGPOBSA-N	-1	1	285.267	0.092	50	0		CCAAMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCO)o1	ZINC000097255440	349636569	/nfs/dbraw/zinc/63/65/69/349636569.db2.gz	YMTLOWLLVNHNIX-UHFFFAOYSA-N	-1	1	290.341	0.079	50	0		CCAAMM
CN1C[C@H](NC(=O)c2c([O-])cccc2F)CCC1=O	ZINC000125640674	187194441	/nfs/dbraw/zinc/19/44/41/187194441.db2.gz	VDSZJXVYWXCISI-MRVPVSSYSA-N	-1	1	266.272	0.882	50	0		CCAAMM
Cc1cc(=O)n(-c2cccc(S(N)(=O)=O)c2)[n-]1	ZINC000100044408	349655364	/nfs/dbraw/zinc/65/53/64/349655364.db2.gz	ASVVGQURNHNITH-UHFFFAOYSA-N	-1	1	253.283	0.447	50	0	in-vitro	CCAAMM
CC(=O)c1c([O-])n(-c2ccccc2F)c(=O)[nH]c1=O	ZINC000100316121	349656840	/nfs/dbraw/zinc/65/68/40/349656840.db2.gz	XWINXVOPWZDRAY-VIFPVBQESA-N	-1	1	264.212	0.614	50	0		CCAAMM
CC[C@H](Sc1nc2c(ncnc2N)[nH]1)C(=O)[O-]	ZINC000000281022	347943288	/nfs/dbraw/zinc/94/32/88/347943288.db2.gz	USXGXECUDHKQHW-BYPYZUCNSA-N	-1	1	253.287	0.890	50	0		CCAAMM
COC(=O)[C@@]([O-])(NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000004594502	347998872	/nfs/dbraw/zinc/99/88/72/347998872.db2.gz	SHIDZFBWGGFCLD-QMMMGPOBSA-N	-1	1	273.207	0.935	50	0		CCAAMM
O=c1cnnc(N2CCN(Cc3ccccc3)CC2)[n-]1	ZINC000008770437	348013018	/nfs/dbraw/zinc/01/30/18/348013018.db2.gz	WXPIPLUNYSBFBR-UHFFFAOYSA-N	-1	1	271.324	0.899	50	0		CCAAMM
CCOC(=O)Cc1nnc([N-]C(=O)c2nc[nH]n2)s1	ZINC000018177667	348056458	/nfs/dbraw/zinc/05/64/58/348056458.db2.gz	IXSXXZUTUOUROO-UHFFFAOYSA-N	-1	1	282.285	0.014	50	0		CCAAMM
C[C@H](C(=O)[O-])N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000051638979	348491750	/nfs/dbraw/zinc/49/17/50/348491750.db2.gz	PRGUOGWZEOPNTN-LLVKDONJSA-N	-1	1	294.326	0.986	50	0		CCAAMM
CC(C)c1nc(N[C@@H](C)c2nc(=O)[n-][nH]2)nc(N(C)C)n1	ZINC000170087315	350842057	/nfs/dbraw/zinc/84/20/57/350842057.db2.gz	UPQUHZSHNZBJHG-ZETCQYMHSA-N	-1	1	292.347	0.646	50	0		CCAAMM
O=C(COC/C=C/c1ccccc1)Nc1nnn[n-]1	ZINC000155345061	188200005	/nfs/dbraw/zinc/20/00/05/188200005.db2.gz	DBVYXMCGHRXLOC-QPJJXVBHSA-N	-1	1	259.269	0.868	50	0		CCAAMM
O=C(COC/C=C/c1ccccc1)Nc1nn[n-]n1	ZINC000155345061	188200007	/nfs/dbraw/zinc/20/00/07/188200007.db2.gz	DBVYXMCGHRXLOC-QPJJXVBHSA-N	-1	1	259.269	0.868	50	0		CCAAMM
O=C(CN1CCCCCCC1=O)OCc1nn[n-]n1	ZINC000585136171	359251552	/nfs/dbraw/zinc/25/15/52/359251552.db2.gz	UQBHDSAOUYFDOU-UHFFFAOYSA-N	-1	1	267.289	0.036	50	0		CCAAMM
CCCCn1c([O-])cc(=O)n(CC(=O)OCC)c1=O	ZINC000002171049	388755856	/nfs/dbraw/zinc/75/58/56/388755856.db2.gz	GZIPBIGNKDIXBR-UHFFFAOYSA-N	-1	1	270.285	0.531	50	0		CCAAMM
COc1ccccc1[C@H]1CC(=O)Nc2nc(N)[n-]c(=O)c21	ZINC000004944779	388761720	/nfs/dbraw/zinc/76/17/20/388761720.db2.gz	IWVLDALWLCXFNS-MRVPVSSYSA-N	-1	1	286.291	0.835	50	0		CCAAMM
Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000009245064	388765813	/nfs/dbraw/zinc/76/58/13/388765813.db2.gz	ZMGIRVCMSQMNQZ-OAHLLOKOSA-N	-1	1	287.319	0.682	50	0	biogenic	CCAAMM
Cc1nnc([N-]C(=O)c2nc3nccc(C)n3n2)o1	ZINC000009883822	388766573	/nfs/dbraw/zinc/76/65/73/388766573.db2.gz	YYJFUVPBHIXJEJ-UHFFFAOYSA-N	-1	1	259.229	0.376	50	0		CCAAMM
O=C([O-])CCC1CCN(CC(=O)NC2CC2)CC1	ZINC000050926135	388926450	/nfs/dbraw/zinc/92/64/50/388926450.db2.gz	XBPJAYAOUWZWKI-UHFFFAOYSA-N	-1	1	254.330	0.842	50	0		CCAAMM
Cc1nn[nH]c1C(=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000426387034	389664740	/nfs/dbraw/zinc/66/47/40/389664740.db2.gz	FJJDSPSXLLYPPP-NSHDSACASA-N	-1	1	252.274	0.583	50	0		CCAAMM
COC(=O)[C@]([O-])(NC(=O)c1ccncc1)C(F)(F)F	ZINC000005354899	170088961	/nfs/dbraw/zinc/08/89/61/170088961.db2.gz	NHIQMGUMIOHTEA-SECBINFHSA-N	-1	1	278.186	0.235	50	0		CCAAMM
O=C(COC(=O)c1cnccn1)[N-]C(=O)c1ccccc1	ZINC000005469648	170102550	/nfs/dbraw/zinc/10/25/50/170102550.db2.gz	REBJWLSYOOCSRK-UHFFFAOYSA-N	-1	1	285.259	0.590	50	0		CCAAMM
CCOC(=O)Cn1c2c(c(=S)[n-]c1=O)CCC2	ZINC000008737589	170352961	/nfs/dbraw/zinc/35/29/61/170352961.db2.gz	KSRZNLMWVWMIDA-UHFFFAOYSA-N	-1	1	254.311	0.958	50	0		CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCCCS1	ZINC000329804899	411760664	/nfs/dbraw/zinc/76/06/64/411760664.db2.gz	AIKFTFPWMCAWGF-QMMMGPOBSA-N	-1	1	291.398	1.129	50	0		CCAAMM
COc1ccc(C(=O)N2CCN([C@@H](C)C(=O)[O-])CC2)cc1	ZINC000020180681	171044913	/nfs/dbraw/zinc/04/49/13/171044913.db2.gz	GCTYGNVUMIVVQT-NSHDSACASA-N	-1	1	292.335	0.926	50	0		CCAAMM
COc1ccccc1C(=O)N1CCN([C@H](C)C(=O)[O-])CC1	ZINC000020180675	171045233	/nfs/dbraw/zinc/04/52/33/171045233.db2.gz	YPVSSCZERQBAQI-LLVKDONJSA-N	-1	1	292.335	0.926	50	0		CCAAMM
CCN1CCN(C(=O)[C@H](C)[N-]C(=O)C(F)(F)F)CC1	ZINC000040451276	174265840	/nfs/dbraw/zinc/26/58/40/174265840.db2.gz	NGTYTXIHPMTNHS-QMMMGPOBSA-N	-1	1	281.278	0.218	50	0		CCAAMM
C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1nnn[n-]1	ZINC000071796054	176264354	/nfs/dbraw/zinc/26/43/54/176264354.db2.gz	BNGVCLIJCHQJSI-QMMMGPOBSA-N	-1	1	280.332	0.613	50	0		CCAAMM
C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1nn[n-]n1	ZINC000071796054	176264355	/nfs/dbraw/zinc/26/43/55/176264355.db2.gz	BNGVCLIJCHQJSI-QMMMGPOBSA-N	-1	1	280.332	0.613	50	0		CCAAMM
C[C@@H](CN(C)c1cc(-n2cccn2)nc(N)n1)C(=O)[O-]	ZINC000263554850	544944140	/nfs/dbraw/zinc/94/41/40/544944140.db2.gz	NPPTVPNZMZPMSK-QMMMGPOBSA-N	-1	1	276.300	0.401	50	0		CCAAMM
CCc1cc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc(N(C)C)n1	ZINC000534640915	328336127	/nfs/dbraw/zinc/33/61/27/328336127.db2.gz	HIAARNZQDIHVTE-IAZYJMLFSA-N	-1	1	276.340	0.872	50	0		CCAAMM
COC(=O)c1cc(S(=O)(=O)N2CCC(C)=C(C)C2)[n-]n1	ZINC000952878146	841583632	/nfs/dbraw/zinc/58/36/32/841583632.db2.gz	ZFMYULFFZIRLMJ-UHFFFAOYSA-N	-1	1	299.352	0.927	50	0		CCAAMM
COC(=O)c1cc(S(=O)(=O)N2CCC(C)=C(C)C2)n[n-]1	ZINC000952878146	841583639	/nfs/dbraw/zinc/58/36/39/841583639.db2.gz	ZFMYULFFZIRLMJ-UHFFFAOYSA-N	-1	1	299.352	0.927	50	0		CCAAMM
O=C([C@H]1CCCS1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC000952882540	841587958	/nfs/dbraw/zinc/58/79/58/841587958.db2.gz	SDJWEYFVSVYZMU-VHSXEESVSA-N	-1	1	281.385	0.876	50	0		CCAAMM
O=C(c1cccnc1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000095146876	349592177	/nfs/dbraw/zinc/59/21/77/349592177.db2.gz	RHGGWJCKYCEIMG-JTQLQIEISA-N	-1	1	258.285	0.615	50	0		CCAAMM
O=C(c1cccnc1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000095146877	349592415	/nfs/dbraw/zinc/59/24/15/349592415.db2.gz	RHGGWJCKYCEIMG-SNVBAGLBSA-N	-1	1	258.285	0.615	50	0		CCAAMM
CCCc1c(C(=O)Nc2nn[n-]n2)[nH]c(C)c1C(=O)OC	ZINC000118686031	349906709	/nfs/dbraw/zinc/90/67/09/349906709.db2.gz	RRMGGEXCYVPHOZ-UHFFFAOYSA-N	-1	1	292.299	0.828	50	0		CCAAMM
CCc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	ZINC000000342265	347944897	/nfs/dbraw/zinc/94/48/97/347944897.db2.gz	JJHWGNLFCGTZFR-UHFFFAOYSA-N	-1	1	274.276	0.996	50	0		CCAAMM
COCC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[n-]1	ZINC000007420792	348007064	/nfs/dbraw/zinc/00/70/64/348007064.db2.gz	DZJTXRAJARVCEI-UHFFFAOYSA-N	-1	1	291.311	0.466	50	0		CCAAMM
Cc1[nH]c2ccc(C(=O)NN3CC(=O)[N-]C3=O)cc2c1C	ZINC000012950107	348024099	/nfs/dbraw/zinc/02/40/99/348024099.db2.gz	IIKCHMRIIMSBSU-UHFFFAOYSA-N	-1	1	286.291	0.981	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)NCc2ccco2)n1	ZINC000018227514	348057013	/nfs/dbraw/zinc/05/70/13/348057013.db2.gz	CCDHGZROPTVSPY-UHFFFAOYSA-N	-1	1	280.309	0.354	50	0		CCAAMM
CCC[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000036839498	348173064	/nfs/dbraw/zinc/17/30/64/348173064.db2.gz	DUISVLDVEQMUAS-AXFHLTTASA-N	-1	1	272.345	0.465	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)COC)o1	ZINC000044973328	348331363	/nfs/dbraw/zinc/33/13/63/348331363.db2.gz	IGULZEXPBNDHSI-MRVPVSSYSA-N	-1	1	290.341	0.295	50	0		CCAAMM
O=C([O-])CN1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC000219370731	351967714	/nfs/dbraw/zinc/96/77/14/351967714.db2.gz	ACKDLSWWFAWDGN-CYBMUJFWSA-N	-1	1	265.313	0.617	50	0		CCAAMM
CCCCN1CCN(C(=O)c2cncc([O-])c2)CC1=O	ZINC000584894028	359234479	/nfs/dbraw/zinc/23/44/79/359234479.db2.gz	YQQGEXUQEFKGAG-UHFFFAOYSA-N	-1	1	277.324	0.872	50	0		CCAAMM
CCOCC(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1	ZINC000011397041	388771108	/nfs/dbraw/zinc/77/11/08/388771108.db2.gz	GBAKHVBZLDXDNK-UHFFFAOYSA-N	-1	1	295.291	0.531	50	0		CCAAMM
CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC)n1	ZINC000026423775	388822566	/nfs/dbraw/zinc/82/25/66/388822566.db2.gz	ZNRDJQXNHCOGRJ-SSDOTTSWSA-N	-1	1	255.343	0.949	50	0		CCAAMM
CC1=CCN(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1	ZINC000122265859	389151802	/nfs/dbraw/zinc/15/18/02/389151802.db2.gz	HFSANRXXORTUKF-NSHDSACASA-N	-1	1	278.312	0.767	50	0		CCAAMM
C[C@@H](C(=O)NCCCc1nn[n-]n1)n1cc(Cl)cn1	ZINC000426510610	389670879	/nfs/dbraw/zinc/67/08/79/389670879.db2.gz	JFJCFXWOLWBLKO-ZETCQYMHSA-N	-1	1	283.723	0.360	50	0		CCAAMM
Cc1nn[nH]c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000426621651	389674507	/nfs/dbraw/zinc/67/45/07/389674507.db2.gz	MBVGIRLZVBITSR-SECBINFHSA-N	-1	1	266.301	0.830	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)[C@@H]1Cc2ccccc2S1	ZINC000426683785	389676609	/nfs/dbraw/zinc/67/66/09/389676609.db2.gz	JCCAMYZVPKCLCV-NSHDSACASA-N	-1	1	289.364	0.966	50	0		CCAAMM
NC(=O)c1nn(-c2ccc(Cl)cc2)c([O-])cc1=O	ZINC000005763709	170138518	/nfs/dbraw/zinc/13/85/18/170138518.db2.gz	YKKLSLWNJUXRGN-UHFFFAOYSA-N	-1	1	265.656	0.690	50	0		CCAAMM
O=C(Cc1nn[n-]n1)N1CCC2(CCOCC2)CC1	ZINC000072122558	176319909	/nfs/dbraw/zinc/31/99/09/176319909.db2.gz	MITMYTYCCZPVGR-UHFFFAOYSA-N	-1	1	265.317	0.161	50	0		CCAAMM
Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n[nH]1	ZINC000310752806	545011380	/nfs/dbraw/zinc/01/13/80/545011380.db2.gz	MDOWUORAQCVGKS-APPZFPTMSA-N	-1	1	251.286	0.901	50	0		CCAAMM
Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000009245065	278878252	/nfs/dbraw/zinc/87/82/52/278878252.db2.gz	ZMGIRVCMSQMNQZ-HNNXBMFYSA-N	-1	1	287.319	0.682	50	0	biogenic	CCAAMM
CCCCc1ncc(CN2CCN(CC(=O)[O-])C(=O)C2)[nH]1	ZINC000534659730	328342567	/nfs/dbraw/zinc/34/25/67/328342567.db2.gz	ACUCXMKRTWTQLF-UHFFFAOYSA-N	-1	1	294.355	0.481	50	0		CCAAMM
Cc1nc2c([nH]1)CN(C(=O)N[C@H](C)C(=O)[O-])CC2	ZINC000828545737	821784607	/nfs/dbraw/zinc/78/46/07/821784607.db2.gz	HJUPCMDWIXIRDA-ZCFIWIBFSA-N	-1	1	252.274	0.259	50	0		CCAAMM
COC(C[N-]S(=O)(=O)CC(=O)c1ccccc1)OC	ZINC000725374974	850231713	/nfs/dbraw/zinc/23/17/13/850231713.db2.gz	AHDVRBLZKVXACW-UHFFFAOYSA-N	-1	1	287.337	0.408	50	0		CCAAMM
Cc1cc(=O)[n-]c(NC(=O)CCc2ccc(=O)n(C)n2)n1	ZINC000096123964	185103683	/nfs/dbraw/zinc/10/36/83/185103683.db2.gz	AHXIXZPKMXNEPM-UHFFFAOYSA-N	-1	1	289.295	0.156	50	0		CCAAMM
Cc1noc2nc(C)nc(N[C@H](C)c3nn[n-]n3)c12	ZINC000095360193	349602697	/nfs/dbraw/zinc/60/26/97/349602697.db2.gz	HLSCYYUEAXDPOS-RXMQYKEDSA-N	-1	1	260.261	0.921	50	0		CCAAMM
O=C(C[C@H]1CC(=O)Oc2ccccc21)Nc1nnn[n-]1	ZINC000095476353	349615043	/nfs/dbraw/zinc/61/50/43/349615043.db2.gz	ZENQQENDDBJCHI-ZETCQYMHSA-N	-1	1	273.252	0.621	50	0		CCAAMM
O=C(C[C@H]1CC(=O)Oc2ccccc21)Nc1nn[n-]n1	ZINC000095476353	349615046	/nfs/dbraw/zinc/61/50/46/349615046.db2.gz	ZENQQENDDBJCHI-ZETCQYMHSA-N	-1	1	273.252	0.621	50	0		CCAAMM
CCNC(=O)C1CN(C(=O)c2ccc([O-])cc2F)C1	ZINC000097046609	349624332	/nfs/dbraw/zinc/62/43/32/349624332.db2.gz	FZRXZWXPKXRJRF-UHFFFAOYSA-N	-1	1	266.272	0.739	50	0		CCAAMM
O=C(NCc1nn[n-]n1)c1cnc(Nc2ccccc2)nc1	ZINC000097594942	349644734	/nfs/dbraw/zinc/64/47/34/349644734.db2.gz	ARJIDWVTTATDTF-UHFFFAOYSA-N	-1	1	296.294	0.663	50	0		CCAAMM
O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O	ZINC000000130002	347939824	/nfs/dbraw/zinc/93/98/24/347939824.db2.gz	CTUUVOUXZNQMSU-LLVKDONJSA-N	-1	1	285.259	0.702	50	0	in-vitro	CCAAMM
C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)c1nn[nH]n1)c3[O-]	ZINC000008830524	348012926	/nfs/dbraw/zinc/01/29/26/348012926.db2.gz	BJSPTAWUYPPUFC-LURJTMIESA-N	-1	1	297.274	0.568	50	0		CCAAMM
O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCC2)cc1	ZINC000013093526	348024889	/nfs/dbraw/zinc/02/48/89/348024889.db2.gz	WERQTDCGWIKVJD-UHFFFAOYSA-N	-1	1	298.364	0.759	50	0		CCAAMM
CN1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC1	ZINC000019590004	348065718	/nfs/dbraw/zinc/06/57/18/348065718.db2.gz	YNZWCLBLYHODFQ-ZDUSSCGKSA-N	-1	1	294.351	0.372	50	0		CCAAMM
C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc(N)cc(=O)[n-]2)C1	ZINC000014360549	348035702	/nfs/dbraw/zinc/03/57/02/348035702.db2.gz	ASCWPLGREFNBDI-DTORHVGOSA-N	-1	1	296.396	0.949	50	0		CCAAMM
O=C([O-])CCN1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000035124607	348157639	/nfs/dbraw/zinc/15/76/39/348157639.db2.gz	GASIUZRUHFRFIJ-UHFFFAOYSA-N	-1	1	297.399	0.481	50	0		CCAAMM
CCS(=O)(=O)c1ccc([O-])c(-n2cnnc2)c1	ZINC000065420466	348715087	/nfs/dbraw/zinc/71/50/87/348715087.db2.gz	CVHNGCCKSRVQNV-UHFFFAOYSA-N	-1	1	253.283	0.767	50	0		CCAAMM
O=C([O-])[C@H]1CC(=O)N(Cc2n[nH]c(-c3ccccc3)n2)C1	ZINC000065470243	348718810	/nfs/dbraw/zinc/71/88/10/348718810.db2.gz	ASZFPRDEBJRNJC-JTQLQIEISA-N	-1	1	286.291	0.905	50	0		CCAAMM
O=C([O-])[C@H]1CC(=O)N(Cc2nc(-c3ccccc3)n[nH]2)C1	ZINC000065470243	348718813	/nfs/dbraw/zinc/71/88/13/348718813.db2.gz	ASZFPRDEBJRNJC-JTQLQIEISA-N	-1	1	286.291	0.905	50	0		CCAAMM
Cc1nn(C)c(Cl)c1CN1CC[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000065372299	348711529	/nfs/dbraw/zinc/71/15/29/348711529.db2.gz	REHSVLFTFDQNDB-WCBMZHEXSA-N	-1	1	287.747	0.792	50	0		CCAAMM
COc1ccccc1CCC(=O)N[C@H](C)c1nc(=O)[n-][nH]1	ZINC000215763899	351937364	/nfs/dbraw/zinc/93/73/64/351937364.db2.gz	MYCOBKMWGYXNFS-SECBINFHSA-N	-1	1	290.323	0.917	50	0		CCAAMM
Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)c(O)c1	ZINC000216352190	351941137	/nfs/dbraw/zinc/94/11/37/351941137.db2.gz	ZTMOLQBKKPZNJT-ONGXEEELSA-N	-1	1	278.308	0.588	50	0		CCAAMM
CCN1C[C@@H](CN(C)C(=O)c2cncc([O-])c2)CC1=O	ZINC000584889575	359229448	/nfs/dbraw/zinc/22/94/48/359229448.db2.gz	BIWAOLHNRRFXIH-SNVBAGLBSA-N	-1	1	277.324	0.728	50	0		CCAAMM
CCOC(=O)c1cnn(-c2nc(C)c(CC)c(=O)[n-]2)c1N	ZINC000026420864	388821761	/nfs/dbraw/zinc/82/17/61/388821761.db2.gz	UJFXUVKZRPAWHH-UHFFFAOYSA-N	-1	1	291.311	0.585	50	0		CCAAMM
COCc1cc(NCc2nn[n-]n2)n2nccc2n1	ZINC000072447319	388964671	/nfs/dbraw/zinc/96/46/71/388964671.db2.gz	KHBOOZSVEAVJPS-UHFFFAOYSA-N	-1	1	260.261	0.001	50	0		CCAAMM
O=C(NCCc1nnc2n1CCCC2)c1ncccc1[O-]	ZINC000166245260	389441086	/nfs/dbraw/zinc/44/10/86/389441086.db2.gz	VIHIUSRBXCUAFS-UHFFFAOYSA-N	-1	1	287.323	0.688	50	0		CCAAMM
O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1COCCO1	ZINC000585124185	390357690	/nfs/dbraw/zinc/35/76/90/390357690.db2.gz	OZNYGLIFEMZVNZ-LBPRGKRZSA-N	-1	1	289.291	0.932	50	0		CCAAMM
C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000585139524	390358721	/nfs/dbraw/zinc/35/87/21/390358721.db2.gz	MTAJESUVSALDRF-TVQRCGJNSA-N	-1	1	265.313	0.912	50	0		CCAAMM
CN1CCCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	ZINC000034926448	397375971	/nfs/dbraw/zinc/37/59/71/397375971.db2.gz	DQYGRMHIKHASHW-ZJUUUORDSA-N	-1	1	254.330	0.507	50	0		CCAAMM
CCOc1ccc(Cc2c([O-])[nH]c(=O)n(C)c2=O)cc1	ZINC000004705541	170002429	/nfs/dbraw/zinc/00/24/29/170002429.db2.gz	QMGOIQWNQPKTMP-UHFFFAOYSA-N	-1	1	276.292	0.769	50	0		CCAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)N1CCOCC1	ZINC000010003335	170394838	/nfs/dbraw/zinc/39/48/38/170394838.db2.gz	JUEAUUGNBFFWGS-UHFFFAOYSA-N	-1	1	295.324	0.009	50	0		CCAAMM
O=C(NCc1noc([C@@H]2CCCO2)n1)c1ncccc1[O-]	ZINC000534588820	328316844	/nfs/dbraw/zinc/31/68/44/328316844.db2.gz	CYQLCWQQIZSCFH-VIFPVBQESA-N	-1	1	290.279	0.952	50	0		CCAAMM
CN(Cc1cnc2c(C(=O)[O-])cnn2c1)CC1(C)COC1	ZINC000534629887	328328461	/nfs/dbraw/zinc/32/84/61/328328461.db2.gz	XKABHPSMWKJSAE-UHFFFAOYSA-N	-1	1	290.323	0.896	50	0		CCAAMM
C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(C2CC2)no1	ZINC000534661978	328350077	/nfs/dbraw/zinc/35/00/77/328350077.db2.gz	FWTCWIMKRJFVOQ-SSDOTTSWSA-N	-1	1	297.340	0.720	50	0		CCAAMM
COCCOC1CCN(Cc2c[nH]nc2C(=O)[O-])CC1	ZINC000670441080	545235267	/nfs/dbraw/zinc/23/52/67/545235267.db2.gz	GDLQIGZBEBHZCQ-UHFFFAOYSA-N	-1	1	283.328	0.735	50	0		CCAAMM
CCOC(=O)[C@@H]1CCCN(C(=O)c2cnncc2[O-])C1	ZINC000952993882	615285773	/nfs/dbraw/zinc/28/57/73/615285773.db2.gz	SWHJERGYQMBHDV-SECBINFHSA-N	-1	1	279.296	0.598	50	0		CCAAMM
CN1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000952974777	616211439	/nfs/dbraw/zinc/21/14/39/616211439.db2.gz	QQZOTLOQWVESCX-STQMWFEESA-N	-1	1	292.335	0.598	50	0		CCAAMM
CCN(C[P@](=O)([O-])CN1CCOCC1)C(C)=O	ZINC000002904486	622773032	/nfs/dbraw/zinc/77/30/32/622773032.db2.gz	BNBZRCXQOJLAIZ-UHFFFAOYSA-N	-1	1	264.262	0.372	50	0		CCAAMM
Cc1nc(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)n[nH]1	ZINC000863981988	645152594	/nfs/dbraw/zinc/15/25/94/645152594.db2.gz	YBDVCRTWQBOHLU-JTQLQIEISA-N	-1	1	282.344	0.909	50	0		CCAAMM
O=C(NCc1nn[n-]n1)[C@H](c1cccnc1)N1CCCC1	ZINC000095356585	349601980	/nfs/dbraw/zinc/60/19/80/349601980.db2.gz	KHFCDVLXSDAXIA-LBPRGKRZSA-N	-1	1	287.327	0.048	50	0		CCAAMM
CSCC[C@H](Nc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000001668893	347959883	/nfs/dbraw/zinc/95/98/83/347959883.db2.gz	UGFXVFBUWNUQKH-LURJTMIESA-N	-1	1	267.314	0.971	50	0	biogenic	CCAAMM
O=C([O-])COc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl	ZINC000012954621	348023954	/nfs/dbraw/zinc/02/39/54/348023954.db2.gz	WRKCTXBIFSFVLI-XBXARRHUSA-N	-1	1	296.666	0.984	50	0		CCAAMM
Cc1cc(F)ccc1CC(=O)N1CCN(C)[C@@H](C(=O)[O-])C1	ZINC000067473244	348776294	/nfs/dbraw/zinc/77/62/94/348776294.db2.gz	TVHXLLXQCZIKPZ-CYBMUJFWSA-N	-1	1	294.326	0.904	50	0		CCAAMM
CCCO[C@H]1CCCN(C(=O)Cc2nn[n-]n2)C1	ZINC000067771870	348784918	/nfs/dbraw/zinc/78/49/18/348784918.db2.gz	GFJREERAHFIZHP-VIFPVBQESA-N	-1	1	253.306	0.160	50	0		CCAAMM
CCN1C[C@@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1=O	ZINC000240886241	352305223	/nfs/dbraw/zinc/30/52/23/352305223.db2.gz	IOBAXFMKRZYSGE-VIFPVBQESA-N	-1	1	287.323	0.149	50	0		CCAAMM
O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nnn[n-]1	ZINC000252494133	352517744	/nfs/dbraw/zinc/51/77/44/352517744.db2.gz	NMALJQUOJBILEI-UHFFFAOYSA-N	-1	1	299.294	0.810	50	0		CCAAMM
O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nn[n-]n1	ZINC000252494133	352517746	/nfs/dbraw/zinc/51/77/46/352517746.db2.gz	NMALJQUOJBILEI-UHFFFAOYSA-N	-1	1	299.294	0.810	50	0		CCAAMM
CN(Cc1ccoc1)Cc1cc(=O)n2[n-]cnc2n1	ZINC000334159634	206121624	/nfs/dbraw/zinc/12/16/24/206121624.db2.gz	WDNFAKMEXAZDQN-UHFFFAOYSA-N	-1	1	259.269	0.643	50	0		CCAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC(N)=O)n1	ZINC000011443438	388771501	/nfs/dbraw/zinc/77/15/01/388771501.db2.gz	LXIHLEGTLVEZMQ-LURJTMIESA-N	-1	1	284.341	0.398	50	0		CCAAMM
O=C(Cc1ccc2c(c1)OCCCO2)Nc1nnn[n-]1	ZINC000012375094	388782328	/nfs/dbraw/zinc/78/23/28/388782328.db2.gz	PQSQPMHTQXBXSJ-UHFFFAOYSA-N	-1	1	275.268	0.542	50	0		CCAAMM
O=C(Cc1ccc2c(c1)OCCCO2)Nc1nn[n-]n1	ZINC000012375094	388782333	/nfs/dbraw/zinc/78/23/33/388782333.db2.gz	PQSQPMHTQXBXSJ-UHFFFAOYSA-N	-1	1	275.268	0.542	50	0		CCAAMM
Cc1[nH]nc(CCC(=O)N2CC=C[C@H]2C(=O)[O-])c1C	ZINC000426477414	389668339	/nfs/dbraw/zinc/66/83/39/389668339.db2.gz	OISAZDNNBIYYGM-NSHDSACASA-N	-1	1	263.297	0.811	50	0		CCAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)COC)n1	ZINC000007419414	170283840	/nfs/dbraw/zinc/28/38/40/170283840.db2.gz	UNYIFTTVJCZBLF-UHFFFAOYSA-N	-1	1	291.311	0.411	50	0		CCAAMM
CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC(=O)NC)n1	ZINC000007654307	170296171	/nfs/dbraw/zinc/29/61/71/170296171.db2.gz	YFWPQUZQCGYXOW-SSDOTTSWSA-N	-1	1	298.368	0.659	50	0		CCAAMM
O=C(NCc1ccco1)c1c([O-])nc2ccccn2c1=O	ZINC000009830219	170386433	/nfs/dbraw/zinc/38/64/33/170386433.db2.gz	CVPWJRJTVDGVBA-UHFFFAOYSA-N	-1	1	285.259	0.923	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)Cc2ccc(F)cc2)CC1	ZINC000035686991	172354005	/nfs/dbraw/zinc/35/40/05/172354005.db2.gz	SIKDKHNYJHPNAW-UHFFFAOYSA-N	-1	1	294.326	0.987	50	0		CCAAMM
CC(=O)N[C@@H](CC(=O)Nc1ncn[n-]1)c1cccs1	ZINC000048341136	175429234	/nfs/dbraw/zinc/42/92/34/175429234.db2.gz	NEJYAIBTORZTJP-QMMMGPOBSA-N	-1	1	279.325	0.494	50	0		CCAAMM
CC(C)(C)OC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC000170617896	277181242	/nfs/dbraw/zinc/18/12/42/277181242.db2.gz	GSJRJFZEJOORJQ-UHFFFAOYSA-N	-1	1	269.305	0.418	50	0		CCAAMM
Cn1cnnc1SCCNC(=O)c1ccc([O-])cn1	ZINC000828919773	821846104	/nfs/dbraw/zinc/84/61/04/821846104.db2.gz	HOVXVCJUKJLVFJ-UHFFFAOYSA-N	-1	1	279.325	0.438	50	0		CCAAMM
O=C(CN1CCCCCC1)NC1(C(=O)[O-])CCOCC1	ZINC000952871898	841577182	/nfs/dbraw/zinc/57/71/82/841577182.db2.gz	FYXTZVCKVBZTOC-UHFFFAOYSA-N	-1	1	284.356	0.612	50	0		CCAAMM
COC(=O)C[C@H](c1cnn(C)c1)c1c(C)[n-][nH]c1=O	ZINC000095474975	349614803	/nfs/dbraw/zinc/61/48/03/349614803.db2.gz	CMLHCDXSDTYRNZ-SECBINFHSA-N	-1	1	264.285	0.852	50	0		CCAAMM
COc1cccc(-c2cc(C(=O)Nc3nn[n-]n3)n[nH]2)c1	ZINC000095480065	349614385	/nfs/dbraw/zinc/61/43/85/349614385.db2.gz	MYMWCXSWACKOJF-UHFFFAOYSA-N	-1	1	285.267	0.851	50	0		CCAAMM
Nc1ncc2ncn(CC3(OC[P@](=O)([O-])O)CC3)c2n1	ZINC000001553339	347956570	/nfs/dbraw/zinc/95/65/70/347956570.db2.gz	KDNSSKPZBDNJDF-UHFFFAOYSA-N	-1	1	299.227	0.093	50	0		CCAAMM
CC[C@H](C)C(=O)N[C@]([O-])(C(=O)OC)C(F)(F)F	ZINC000002305935	347965932	/nfs/dbraw/zinc/96/59/32/347965932.db2.gz	KWXHNPFNVYAWSD-XNCJUZBTSA-N	-1	1	257.208	0.573	50	0		CCAAMM
Cc1nonc1NC(=O)CSc1nccc(=O)[n-]1	ZINC000012650902	348020893	/nfs/dbraw/zinc/02/08/93/348020893.db2.gz	BGQNMTORGOQCPG-UHFFFAOYSA-N	-1	1	267.270	0.604	50	0		CCAAMM
CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1	ZINC000018189246	348056224	/nfs/dbraw/zinc/05/62/24/348056224.db2.gz	BJBXCWARQOVLKZ-UHFFFAOYSA-N	-1	1	279.321	0.669	50	0		CCAAMM
CCC[C@@H]1C[N@@H+](Cc2[nH]c(=O)[nH]c2C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000091594409	180201299	/nfs/dbraw/zinc/20/12/99/180201299.db2.gz	WLTHHIUDZVIQNZ-HTQZYQBOSA-N	-1	1	297.311	0.334	50	0		CCAAMM
Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)Nc1nnn[n-]1	ZINC000253407487	352532771	/nfs/dbraw/zinc/53/27/71/352532771.db2.gz	JXIVGRSVEHKMQA-UHFFFAOYSA-N	-1	1	288.311	0.641	50	0		CCAAMM
Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)Nc1nn[n-]n1	ZINC000253407487	352532776	/nfs/dbraw/zinc/53/27/76/352532776.db2.gz	JXIVGRSVEHKMQA-UHFFFAOYSA-N	-1	1	288.311	0.641	50	0		CCAAMM
Cc1nc2cc(C(=O)NCCCc3nn[n-]n3)ccc2[nH]1	ZINC000584896204	359236949	/nfs/dbraw/zinc/23/69/49/359236949.db2.gz	YCEQEGUVUVOTCI-UHFFFAOYSA-N	-1	1	285.311	0.747	50	0		CCAAMM
Cc1nc(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])n[nH]1	ZINC000585134880	359251328	/nfs/dbraw/zinc/25/13/28/359251328.db2.gz	NSAPIQCHCXYQQP-QMMMGPOBSA-N	-1	1	254.290	0.271	50	0		CCAAMM
Cn1c([O-])c([C@@H]2NCCc3ccccc32)c(=O)n(C)c1=O	ZINC000020113207	388794290	/nfs/dbraw/zinc/79/42/90/388794290.db2.gz	YHTABYITLXLOPB-GFCCVEGCSA-N	-1	1	287.319	0.025	50	0	biogenic	CCAAMM
O=C(NCCn1ccc2ccccc21)Nc1nn[n-]n1	ZINC000023428846	388804280	/nfs/dbraw/zinc/80/42/80/388804280.db2.gz	RAACWBJOYURFRB-UHFFFAOYSA-N	-1	1	271.284	0.976	50	0		CCAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(C)=O)n1	ZINC000007419342	388764925	/nfs/dbraw/zinc/76/49/25/388764925.db2.gz	QVOPCMBYTSRMTG-UHFFFAOYSA-N	-1	1	261.285	0.785	50	0		CCAAMM
CCCNC(=O)c1c([O-])nc2scc(C)n2c1=O	ZINC000012312311	388779716	/nfs/dbraw/zinc/77/97/16/388779716.db2.gz	UYWNKSLORNJMFO-UHFFFAOYSA-N	-1	1	267.310	0.910	50	0		CCAAMM
Cc1nonc1CN1Cc2[nH]cnc2C[C@@H]1C(=O)[O-]	ZINC000097594911	389068266	/nfs/dbraw/zinc/06/82/66/389068266.db2.gz	COIAXTYKJXSUNM-SNVBAGLBSA-N	-1	1	263.257	0.113	50	0		CCAAMM
Cc1nn[nH]c1C(=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000426387033	389664765	/nfs/dbraw/zinc/66/47/65/389664765.db2.gz	FJJDSPSXLLYPPP-LLVKDONJSA-N	-1	1	252.274	0.583	50	0		CCAAMM
CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1	ZINC000040513928	174306050	/nfs/dbraw/zinc/30/60/50/174306050.db2.gz	FMDIFJHKWYCOID-UHFFFAOYSA-N	-1	1	260.315	0.716	50	0		CCAAMM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)cc1)CC(=O)N2	ZINC000011330441	295369443	/nfs/dbraw/zinc/36/94/43/295369443.db2.gz	ATIQJOLJYRXTKZ-QMMMGPOBSA-N	-1	1	272.264	0.532	50	0		CCAAMM
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccn[nH]2)C1	ZINC000091644700	349472326	/nfs/dbraw/zinc/47/23/26/349472326.db2.gz	JHECWTPJVKOORD-ZDUSSCGKSA-N	-1	1	281.312	0.753	50	0		CCAAMM
O=C(CSc1ccccc1)NN1CC(=O)[N-]C1=O	ZINC000095964473	185044367	/nfs/dbraw/zinc/04/43/67/185044367.db2.gz	YLGYQLAROXEOLT-UHFFFAOYSA-N	-1	1	265.294	0.362	50	0		CCAAMM
COC(=O)C[C@@H](c1c(C)[n-][nH]c1=O)c1ccc[nH]c1=O	ZINC000095474373	349613724	/nfs/dbraw/zinc/61/37/24/349613724.db2.gz	FTFNLLLMDHUJHN-SECBINFHSA-N	-1	1	277.280	0.807	50	0		CCAAMM
C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)c1nn[nH]n1)c3[O-]	ZINC000008984230	348013791	/nfs/dbraw/zinc/01/37/91/348013791.db2.gz	BJSPTAWUYPPUFC-ZCFIWIBFSA-N	-1	1	297.274	0.568	50	0		CCAAMM
Cc1occc1C(=O)[N-]N1C(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O	ZINC000013139183	348025680	/nfs/dbraw/zinc/02/56/80/348025680.db2.gz	IXLCLBNAMNDOBU-VLEAKVRGSA-N	-1	1	290.275	0.395	50	0		CCAAMM
C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H]1CCCO1	ZINC000028326134	348106627	/nfs/dbraw/zinc/10/66/27/348106627.db2.gz	LEZMEBGEAWKHFN-JGVFFNPUSA-N	-1	1	293.776	0.919	50	0		CCAAMM
O=C(NC1CC1)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000032655694	348136678	/nfs/dbraw/zinc/13/66/78/348136678.db2.gz	GLNIKNSVCMMKGE-UHFFFAOYSA-N	-1	1	270.310	0.613	50	0		CCAAMM
CN1N=C(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCC1=O	ZINC000043751419	348314561	/nfs/dbraw/zinc/31/45/61/348314561.db2.gz	RFUXIWIZJWUXAS-UHFFFAOYSA-N	-1	1	290.205	0.370	50	0		CCAAMM
Cc1nc(N(C)C)nc(NCCc2n[nH]c(=O)[n-]2)c1C	ZINC000067966212	348792039	/nfs/dbraw/zinc/79/20/39/348792039.db2.gz	WAGMGISIGQIFBJ-UHFFFAOYSA-N	-1	1	277.332	0.225	50	0		CCAAMM
O=C(Cc1cc(F)c(F)cc1F)Nc1nnn[n-]1	ZINC000079489879	349180093	/nfs/dbraw/zinc/18/00/93/349180093.db2.gz	DRXDJIFDNXWZKF-UHFFFAOYSA-N	-1	1	257.175	0.798	50	0		CCAAMM
O=C(Cc1cc(F)c(F)cc1F)Nc1nn[n-]n1	ZINC000079489879	349180095	/nfs/dbraw/zinc/18/00/95/349180095.db2.gz	DRXDJIFDNXWZKF-UHFFFAOYSA-N	-1	1	257.175	0.798	50	0		CCAAMM
C[C@@H](Cc1cnccn1)NC(=O)c1ccncc1[O-]	ZINC000215951126	351938460	/nfs/dbraw/zinc/93/84/60/351938460.db2.gz	PQMCXBKXADSEMN-VIFPVBQESA-N	-1	1	258.281	0.938	50	0		CCAAMM
CCc1nc(C)c(CN2CC[N@@H+](C)[C@@H](C(=O)[O-])C2)[nH]1	ZINC000216502726	351941906	/nfs/dbraw/zinc/94/19/06/351941906.db2.gz	XJTQHOJUZWHJNU-LLVKDONJSA-N	-1	1	266.345	0.481	50	0		CCAAMM
CN1C[C@H](NC(=O)c2ccc([O-])c(F)c2)CCC1=O	ZINC000221354274	351977568	/nfs/dbraw/zinc/97/75/68/351977568.db2.gz	CQZVLLRTZWVYQS-SECBINFHSA-N	-1	1	266.272	0.882	50	0		CCAAMM
CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc([O-])cn1	ZINC000223234584	351985281	/nfs/dbraw/zinc/98/52/81/351985281.db2.gz	SLQFKOWLCPLYEA-ZYHUDNBSSA-N	-1	1	266.297	0.711	50	0		CCAAMM
CC(=O)N1CCN(C(=O)c2ccc([O-])cc2F)C[C@@H](O)C1	ZINC000299797066	354053801	/nfs/dbraw/zinc/05/38/01/354053801.db2.gz	OMPTWMPDGKGTLN-NSHDSACASA-N	-1	1	296.298	0.197	50	0		CCAAMM
O=C([O-])CCCNC(=O)[C@@H]1Cc2ccccc2CN1	ZINC000004086538	304051104	/nfs/dbraw/zinc/05/11/04/304051104.db2.gz	HBHFVMBUMXHEGZ-LBPRGKRZSA-N	-1	1	262.309	0.682	50	0	biogenic	CCAAMM
O=C([O-])C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1	ZINC000238198063	189900681	/nfs/dbraw/zinc/90/06/81/189900681.db2.gz	AGJQAZHPTRGKTD-SECBINFHSA-N	-1	1	279.296	0.603	50	0		CCAAMM
O=C1OC(=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000334160387	284944607	/nfs/dbraw/zinc/94/46/07/284944607.db2.gz	CLQGSEUSAGWDOE-UHFFFAOYSA-N	-1	1	274.257	0.099	50	0		CCAAMM
S=c1[n-]nc(N2CCOCC2)n1C[C@H]1CCCO1	ZINC000012505166	388784592	/nfs/dbraw/zinc/78/45/92/388784592.db2.gz	PPRYRQSBWFHMST-SECBINFHSA-N	-1	1	270.358	0.956	50	0		CCAAMM
CN1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000234328494	389163533	/nfs/dbraw/zinc/16/35/33/389163533.db2.gz	NALKLTGEBIMDBF-WDEREUQCSA-N	-1	1	254.330	0.651	50	0		CCAAMM
CN(Cc1n[nH]c2c1CCC2)C(=O)NCCCC(=O)[O-]	ZINC000426412291	389665539	/nfs/dbraw/zinc/66/55/39/389665539.db2.gz	NCXKXTDHMCYRGC-UHFFFAOYSA-N	-1	1	280.328	0.905	50	0		CCAAMM
CSCC[C@H](NC(=O)c1n[nH]cc1Cl)C(=O)[O-]	ZINC000426523471	389670850	/nfs/dbraw/zinc/67/08/50/389670850.db2.gz	MYMONNLMXVYHAN-LURJTMIESA-N	-1	1	277.733	0.999	50	0		CCAAMM
Cc1nnc(SCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[nH]1	ZINC000426574686	389673168	/nfs/dbraw/zinc/67/31/68/389673168.db2.gz	HIOZILOGYZMEOF-DTWKUNHWSA-N	-1	1	298.368	0.822	50	0		CCAAMM
CC(C)n1ccc(C(=O)NCCCc2nn[n-]n2)n1	ZINC000426668307	389676417	/nfs/dbraw/zinc/67/64/17/389676417.db2.gz	KRIWNZWUKQAYBQ-UHFFFAOYSA-N	-1	1	263.305	0.340	50	0		CCAAMM
COc1cccc(-n2c(O)cc(=O)[n-]c2=S)c1	ZINC000101150059	397403084	/nfs/dbraw/zinc/40/30/84/397403084.db2.gz	CCNGLGXABYWYRF-UHFFFAOYSA-N	-1	1	250.279	0.833	50	0		CCAAMM
Cc1cccc(N2CCN(c3c([O-])c(=O)c3=O)CC2)c1C	ZINC000101398381	397403262	/nfs/dbraw/zinc/40/32/62/397403262.db2.gz	ZELYECXUTXLPID-UHFFFAOYSA-N	-1	1	286.331	0.932	50	0		CCAAMM
O=c1c([O-])c(N2CCN(c3ccccc3)CC2)c1=O	ZINC000101397185	397403306	/nfs/dbraw/zinc/40/33/06/397403306.db2.gz	KSUIXBVEYWVSOK-UHFFFAOYSA-N	-1	1	258.277	0.315	50	0		CCAAMM
Cc1cc(NC(=O)Cc2sc(N)nc2[O-])no1	ZINC000005043790	170059997	/nfs/dbraw/zinc/05/99/97/170059997.db2.gz	BNNSJPYYGGKDPB-RXMQYKEDSA-N	-1	1	254.271	0.268	50	0		CCAAMM
Cc1nc(SCC(=O)NC[C@H]2CCCO2)[n-]c(=O)c1C	ZINC000008025832	170314324	/nfs/dbraw/zinc/31/43/24/170314324.db2.gz	JPPKQVGDWJXRHL-SNVBAGLBSA-N	-1	1	297.380	0.774	50	0		CCAAMM
O=S(=O)(C[C@H]1CC1(Cl)Cl)c1nc[n-]n1	ZINC000009142803	170364905	/nfs/dbraw/zinc/36/49/05/170364905.db2.gz	ALCHFSBESHECBC-SCSAIBSYSA-N	-1	1	256.114	0.772	50	0		CCAAMM
O=C(Cc1ccsc1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000020249877	171102740	/nfs/dbraw/zinc/10/27/40/171102740.db2.gz	WALWYZSCNZVXPG-JTQLQIEISA-N	-1	1	279.321	0.826	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C)C2)o1	ZINC000044918420	175276594	/nfs/dbraw/zinc/27/65/94/175276594.db2.gz	CHNYRTYBLKGHQF-MRVPVSSYSA-N	-1	1	288.325	0.049	50	0		CCAAMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000048263737	175423715	/nfs/dbraw/zinc/42/37/15/175423715.db2.gz	LDAASPKDSAGASL-UHFFFAOYSA-N	-1	1	259.283	0.897	50	0		CCAAMM
Cc1nc2[n-]cnn2c(=O)c1NC(=O)c1ccco1	ZINC000334162960	302685163	/nfs/dbraw/zinc/68/51/63/302685163.db2.gz	JLTFYTCMKOVIJA-UHFFFAOYSA-N	-1	1	259.225	0.984	50	0		CCAAMM
Cn1cc(-c2ccc([N-]S(C)(=O)=O)nc2)cn1	ZINC000534591691	328318367	/nfs/dbraw/zinc/31/83/67/328318367.db2.gz	PYHLQAKJAONWSZ-UHFFFAOYSA-N	-1	1	252.299	0.854	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CC(=O)NCc1cccnc1N	ZINC000534644241	328330122	/nfs/dbraw/zinc/33/01/22/328330122.db2.gz	VMPGZZMWYQJLSI-UHFFFAOYSA-N	-1	1	261.285	0.260	50	0		CCAAMM
CN(CC(=O)[O-])c1ncc(CN(C)[C@@H]2CC[N@@H+](C)C2)cn1	ZINC000534670862	328347340	/nfs/dbraw/zinc/34/73/40/328347340.db2.gz	LMRMAFOSINQZGF-GFCCVEGCSA-N	-1	1	293.371	0.133	50	0		CCAAMM
C(N=c1nc(C2CCCC2)[n-]s1)c1nn[nH]n1	ZINC000585087371	581226368	/nfs/dbraw/zinc/22/63/68/581226368.db2.gz	ZCIUMHQXADRWJD-UHFFFAOYSA-N	-1	1	251.319	0.743	50	0		CCAAMM
CO[C@H]1CCN(Cc2cc(=O)n3nc(C)[n-]c3n2)C1	ZINC000824300230	821626310	/nfs/dbraw/zinc/62/63/10/821626310.db2.gz	APLFIFRLCGNOMT-JTQLQIEISA-N	-1	1	263.301	0.359	50	0		CCAAMM
Cc1n[nH]c(C)c1CCNC(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000827848279	821705159	/nfs/dbraw/zinc/70/51/59/821705159.db2.gz	CIXRDZXQMQQPSL-UHFFFAOYSA-N	-1	1	291.311	0.129	50	0		CCAAMM
CCN1CCN(C(=O)Cc2c(C(=O)[O-])c(C)cn2C)CC1	ZINC000096077922	185089317	/nfs/dbraw/zinc/08/93/17/185089317.db2.gz	TZJLFFSQBZSUEY-UHFFFAOYSA-N	-1	1	293.367	0.738	50	0		CCAAMM
CC(=O)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(C(=O)[O-])C1	ZINC000096149294	185107272	/nfs/dbraw/zinc/10/72/72/185107272.db2.gz	XGHATYUOSYYXBJ-ZWNOBZJWSA-N	-1	1	295.364	0.508	50	0		CCAAMM
C[C@H](Nc1ncc(F)c(N(C)C)n1)c1nn[n-]n1	ZINC000095384492	349605993	/nfs/dbraw/zinc/60/59/93/349605993.db2.gz	YEQIZFVFJQAUCA-YFKPBYRVSA-N	-1	1	252.257	0.368	50	0		CCAAMM
Cc1cc(C(=O)NC[C@@H](C)c2nn[n-]n2)nn1C(C)(C)C	ZINC000097377521	349639857	/nfs/dbraw/zinc/63/98/57/349639857.db2.gz	NDIACZDLLNQIEO-MRVPVSSYSA-N	-1	1	291.359	0.993	50	0		CCAAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccccc3)C2)c1=O	ZINC000101763540	349669279	/nfs/dbraw/zinc/66/92/79/349669279.db2.gz	CEWCPVVVAZMJFK-SECBINFHSA-N	-1	1	286.291	0.218	50	0		CCAAMM
O=C(COc1ccc2ccccc2c1)NN1CC(=O)[N-]C1=O	ZINC000012923521	348022926	/nfs/dbraw/zinc/02/29/26/348022926.db2.gz	BJOLTLCGFFUMSK-UHFFFAOYSA-N	-1	1	299.286	0.802	50	0		CCAAMM
Nc1nc([O-])c(CC(=O)NCc2ccccc2)s1	ZINC000018136832	348056502	/nfs/dbraw/zinc/05/65/02/348056502.db2.gz	DDIPBYADEICMPZ-VIFPVBQESA-N	-1	1	263.322	0.650	50	0		CCAAMM
O=C(NN1CC(=O)[N-]C1=O)[C@H]1C[C@H]1c1ccc(F)cc1	ZINC000029023654	348110031	/nfs/dbraw/zinc/11/00/31/348110031.db2.gz	ZIFJULCBRXVPRW-UWVGGRQHSA-N	-1	1	277.255	0.512	50	0		CCAAMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC(C)C	ZINC000069521364	348850167	/nfs/dbraw/zinc/85/01/67/348850167.db2.gz	KREPKLNZLRGLKG-UHFFFAOYSA-N	-1	1	262.313	0.707	50	0		CCAAMM
CCn1nc(C)c(CCC(=O)Nc2nnn[n-]2)c1C	ZINC000218217093	351955968	/nfs/dbraw/zinc/95/59/68/351955968.db2.gz	FJBCTJIWVZXNJK-UHFFFAOYSA-N	-1	1	263.305	0.604	50	0		CCAAMM
CCn1nc(C)c(CCC(=O)Nc2nn[n-]n2)c1C	ZINC000218217093	351955970	/nfs/dbraw/zinc/95/59/70/351955970.db2.gz	FJBCTJIWVZXNJK-UHFFFAOYSA-N	-1	1	263.305	0.604	50	0		CCAAMM
C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(C)n2)C1	ZINC000096418475	256763521	/nfs/dbraw/zinc/76/35/21/256763521.db2.gz	YWEKANNBBSLQKW-SECBINFHSA-N	-1	1	258.347	0.809	50	0		CCAAMM
CCOC(=O)c1cnn(-c2nc(CC)cc(=O)[n-]2)c1N	ZINC000026420851	388821123	/nfs/dbraw/zinc/82/11/23/388821123.db2.gz	RXNAPCWDGSHUGM-UHFFFAOYSA-N	-1	1	277.284	0.689	50	0		CCAAMM
CCc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n[nH]1	ZINC000262834233	389295595	/nfs/dbraw/zinc/29/55/95/389295595.db2.gz	SJVNKJLYHBKDSK-SECBINFHSA-N	-1	1	267.285	0.288	50	0		CCAAMM
Cn1nnnc1SCCC(=O)c1ccc([O-])cc1O	ZINC000408523241	389374252	/nfs/dbraw/zinc/37/42/52/389374252.db2.gz	IDEKYOSAIBPWQK-UHFFFAOYSA-N	-1	1	280.309	0.986	50	0		CCAAMM
CO[C@@H]1C[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC000650185953	397703018	/nfs/dbraw/zinc/70/30/18/397703018.db2.gz	WIQKWJOXFJNSLC-RKDXNWHRSA-N	-1	1	252.318	0.900	50	0		CCAAMM
CO[C@H]1C[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC000650185952	397703374	/nfs/dbraw/zinc/70/33/74/397703374.db2.gz	WIQKWJOXFJNSLC-IUCAKERBSA-N	-1	1	252.318	0.900	50	0		CCAAMM
O=c1[n-]c(=O)n(S(=O)(=O)c2ccccc2)cc1F	ZINC000026479927	171486753	/nfs/dbraw/zinc/48/67/53/171486753.db2.gz	ZZDRJVSCQGYTCG-UHFFFAOYSA-N	-1	1	270.241	0.325	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CC(=O)NCC[C@H]1CCCOC1	ZINC000534585533	328315320	/nfs/dbraw/zinc/31/53/20/328315320.db2.gz	PHIPBVMJMGYFFL-SNVBAGLBSA-N	-1	1	267.329	0.899	50	0		CCAAMM
CCOC(=O)C(=O)Nc1c([O-])c2ccccc2[nH]c1=O	ZINC000006458133	631297580	/nfs/dbraw/zinc/29/75/80/631297580.db2.gz	IPBIPOQNNQCGIC-UHFFFAOYSA-N	-1	1	276.248	0.735	50	0		CCAAMM
C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)[O-])CC2)C1	ZINC000035126960	348157604	/nfs/dbraw/zinc/15/76/04/348157604.db2.gz	ZPEBEKHBEQIZHU-STQMWFEESA-N	-1	1	297.399	0.193	50	0		CCAAMM
Nn1c(CCCCc2n[nH]c(=S)n2N)n[n-]c1=S	ZINC000038682914	348227744	/nfs/dbraw/zinc/22/77/44/348227744.db2.gz	TZQQTSIIFPBVGW-UHFFFAOYSA-N	-1	1	286.390	0.188	50	0		CCAAMM
COCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1	ZINC000050513569	348476551	/nfs/dbraw/zinc/47/65/51/348476551.db2.gz	BMPAIHRZSRVLHF-LLVKDONJSA-N	-1	1	287.337	0.467	50	0		CCAAMM
CCOc1ccc(-n2c(Cc3nn[n-]n3)n[nH]c2=O)cc1	ZINC000065381285	348711574	/nfs/dbraw/zinc/71/15/74/348711574.db2.gz	KYXMKEBCZBDWQK-UHFFFAOYSA-N	-1	1	287.283	0.063	50	0		CCAAMM
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n[nH]1	ZINC000091694993	180228914	/nfs/dbraw/zinc/22/89/14/180228914.db2.gz	PQWUPTHDBGNVGM-VHSXEESVSA-N	-1	1	263.297	0.901	50	0		CCAAMM
C[C@H](CN(C)S(=O)(=O)Cc1ccccc1)c1nn[n-]n1	ZINC000170598976	350846582	/nfs/dbraw/zinc/84/65/82/350846582.db2.gz	SUGSOIOQDWLSMJ-SNVBAGLBSA-N	-1	1	295.368	0.765	50	0		CCAAMM
CCCc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n[nH]1	ZINC000236898949	352225708	/nfs/dbraw/zinc/22/57/08/352225708.db2.gz	XTMPCEDZXCYELY-JTQLQIEISA-N	-1	1	281.312	0.678	50	0		CCAAMM
O=C([O-])c1n[nH]c2c1C[N@@H+](C[C@@H]1CCCOC1)CC2	ZINC000244796148	352313603	/nfs/dbraw/zinc/31/36/03/352313603.db2.gz	RTZMXEILFPTULU-VIFPVBQESA-N	-1	1	265.313	0.893	50	0		CCAAMM
COc1ccc(C(=O)[N-]C(=O)CSc2nc[nH]n2)cc1	ZINC000011340771	388770645	/nfs/dbraw/zinc/77/06/45/388770645.db2.gz	OSYVYPCNBHNCBW-UHFFFAOYSA-N	-1	1	292.320	0.862	50	0		CCAAMM
Cc1cccc2nc(COCC(=O)N[C@@H](C)C(=O)[O-])[nH]c21	ZINC000426376416	389664008	/nfs/dbraw/zinc/66/40/08/389664008.db2.gz	QJDSSAPLMHGOHN-VIFPVBQESA-N	-1	1	291.307	0.977	50	0		CCAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1nccs1	ZINC000005135317	170069496	/nfs/dbraw/zinc/06/94/96/170069496.db2.gz	FNMWJVWRFRJNAC-UHFFFAOYSA-N	-1	1	268.323	0.957	50	0		CCAAMM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)NC1CC1	ZINC000048312870	411656204	/nfs/dbraw/zinc/65/62/04/411656204.db2.gz	CWQPASMIYXPDRT-UHFFFAOYSA-N	-1	1	284.319	0.961	50	0		CCAAMM
CCC(=O)NCCNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000022470620	171388951	/nfs/dbraw/zinc/38/89/51/171388951.db2.gz	LEWWDJFIBGYUKB-UHFFFAOYSA-N	-1	1	288.307	0.179	50	0		CCAAMM
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cnn[nH]1	ZINC000534656676	328340213	/nfs/dbraw/zinc/34/02/13/328340213.db2.gz	OPFKEBYBAWSNNN-UHFFFAOYSA-N	-1	1	299.334	0.971	50	0		CCAAMM
CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)[nH]n1	ZINC000585086430	839587004	/nfs/dbraw/zinc/58/70/04/839587004.db2.gz	ZZIROYNVPAMIQA-YFKPBYRVSA-N	-1	1	253.711	0.840	50	0		CCAAMM
COc1cccc(-c2noc(=NCc3nn[nH]n3)[n-]2)c1	ZINC000585135178	839618575	/nfs/dbraw/zinc/61/85/75/839618575.db2.gz	GAYXFQOGGABBEY-UHFFFAOYSA-N	-1	1	273.256	0.292	50	0		CCAAMM
Cc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cn1	ZINC000095324401	349600464	/nfs/dbraw/zinc/60/04/64/349600464.db2.gz	WJQFNADMWUTDPJ-NSHDSACASA-N	-1	1	272.312	0.923	50	0		CCAAMM
CCOC(=O)c1nc2nc(C)c(Cl)c(=O)n2[n-]1	ZINC000101014989	349660553	/nfs/dbraw/zinc/66/05/53/349660553.db2.gz	ANTDJZXDTYBTGB-UHFFFAOYSA-N	-1	1	256.649	0.556	50	0		CCAAMM
O=C(NC1CCS(=O)(=O)CC1)c1cncc([O-])c1	ZINC000111739063	349776238	/nfs/dbraw/zinc/77/62/38/349776238.db2.gz	RSKCTDFVNIBHEN-UHFFFAOYSA-N	-1	1	270.310	0.094	50	0		CCAAMM
CN1CCN(n2c3c(c(=S)[n-]c2=O)CCC3)CC1	ZINC000021010925	282971840	/nfs/dbraw/zinc/97/18/40/282971840.db2.gz	FUBYLLVNYWXFCQ-UHFFFAOYSA-N	-1	1	266.370	0.690	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCc2cn3cccnc3n2)n1	ZINC000003194814	347979492	/nfs/dbraw/zinc/97/94/92/347979492.db2.gz	IWTAEXJMYXCJMD-UHFFFAOYSA-N	-1	1	274.309	0.687	50	0		CCAAMM
Cc1ccc(-n2cnnn2)cc1OCc1nn[n-]n1	ZINC000015081699	348038767	/nfs/dbraw/zinc/03/87/67/348038767.db2.gz	QNNULMSLURNXMO-UHFFFAOYSA-N	-1	1	258.245	0.063	50	0		CCAAMM
CC[C@@H](C)NC(=O)c1c([O-])nc2sccn2c1=O	ZINC000016689986	348049834	/nfs/dbraw/zinc/04/98/34/348049834.db2.gz	IWCXSJIGLPIAHG-ZCFIWIBFSA-N	-1	1	267.310	0.990	50	0		CCAAMM
Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCO2)c1Cl	ZINC000027932523	348103307	/nfs/dbraw/zinc/10/33/07/348103307.db2.gz	MPKRETBDWDGIEH-SSDOTTSWSA-N	-1	1	279.749	0.531	50	0		CCAAMM
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000035024354	348154326	/nfs/dbraw/zinc/15/43/26/348154326.db2.gz	AYMLQYFMYHISQO-QMMMGPOBSA-N	-1	1	255.274	0.930	50	0		CCAAMM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000062913782	348672722	/nfs/dbraw/zinc/67/27/22/348672722.db2.gz	NRKNIPPLVXUZMD-CYBMUJFWSA-N	-1	1	274.280	0.895	50	0		CCAAMM
CC(C)c1cc(C(=O)NCC[N-]C(=O)C(F)(F)F)[nH]n1	ZINC000067757170	348784085	/nfs/dbraw/zinc/78/40/85/348784085.db2.gz	WMUXJAWWGHSXHY-UHFFFAOYSA-N	-1	1	292.261	0.941	50	0		CCAAMM
C[C@H](NC(=O)c1cnc(-c2ccccc2)[n-]c1=O)C(N)=O	ZINC000091270606	180117920	/nfs/dbraw/zinc/11/79/20/180117920.db2.gz	AMQFOBBBODCVHI-QMMMGPOBSA-N	-1	1	286.291	0.041	50	0		CCAAMM
CCc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)n[nH]1	ZINC000136130752	350415561	/nfs/dbraw/zinc/41/55/61/350415561.db2.gz	OYEOAIGTQFSUFU-MRVPVSSYSA-N	-1	1	251.286	0.909	50	0		CCAAMM
CCc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)n[nH]1	ZINC000136130720	187866446	/nfs/dbraw/zinc/86/64/46/187866446.db2.gz	OYEOAIGTQFSUFU-QMMMGPOBSA-N	-1	1	251.286	0.909	50	0		CCAAMM
CCn1cc(CCS(=O)(=O)c2n[n-]c(C3CC3)n2)cn1	ZINC000585136644	359251827	/nfs/dbraw/zinc/25/18/27/359251827.db2.gz	OBKFGPXHWRHBKB-UHFFFAOYSA-N	-1	1	295.368	0.915	50	0		CCAAMM
C[C@H](C(=O)NC1CC1)S(=O)(=O)c1ccc([O-])cc1	ZINC000049489303	388921085	/nfs/dbraw/zinc/92/10/85/388921085.db2.gz	FQCACOXGOVCUNP-MRVPVSSYSA-N	-1	1	269.322	0.833	50	0		CCAAMM
CC(C)(C)OC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC000095139642	389041499	/nfs/dbraw/zinc/04/14/99/389041499.db2.gz	QQLMQFGGRRFIIA-ZETCQYMHSA-N	-1	1	255.278	0.508	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)[C@H]1COc2ccccc2C1	ZINC000426519172	389670836	/nfs/dbraw/zinc/67/08/36/389670836.db2.gz	CYOXYZTUOAEEHM-LLVKDONJSA-N	-1	1	287.323	0.500	50	0		CCAAMM
CCC1(C(=O)[O-])CCN(C(=O)CN2CCC[C@@H](O)C2)CC1	ZINC000426575023	389673135	/nfs/dbraw/zinc/67/31/35/389673135.db2.gz	OGEBOTAEMNAVND-GFCCVEGCSA-N	-1	1	298.383	0.547	50	0		CCAAMM
CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1c[nH]nc1C(=O)[O-])C2	ZINC000216108321	397432539	/nfs/dbraw/zinc/43/25/39/397432539.db2.gz	IWKMWYRRWCCQCN-SCZZXKLOSA-N	-1	1	278.312	0.161	50	0		CCAAMM
Cc1cccc(C(=O)NC(=S)Nc2nnn[n-]2)c1	ZINC000006131923	170179060	/nfs/dbraw/zinc/17/90/60/170179060.db2.gz	ZBORFQPVWYYOJS-UHFFFAOYSA-N	-1	1	262.298	0.635	50	0		CCAAMM
Cc1cccc(C(=O)NC(=S)Nc2nn[n-]n2)c1	ZINC000006131923	170179061	/nfs/dbraw/zinc/17/90/61/170179061.db2.gz	ZBORFQPVWYYOJS-UHFFFAOYSA-N	-1	1	262.298	0.635	50	0		CCAAMM
CNC(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000008168508	170322393	/nfs/dbraw/zinc/32/23/93/170322393.db2.gz	SSDGPEONEGENGP-UHFFFAOYSA-N	-1	1	282.243	0.128	50	0		CCAAMM
O=C([O-])CCN1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000035687247	172355266	/nfs/dbraw/zinc/35/52/66/172355266.db2.gz	PZDVETCMORJICI-UHFFFAOYSA-N	-1	1	297.399	0.528	50	0		CCAAMM
C#CCNC=C(C#N)C(=O)[N-]C(=O)c1ccccc1	ZINC000005479773	544417699	/nfs/dbraw/zinc/41/76/99/544417699.db2.gz	OUYYRNCXTLHTFZ-ZRDIBKRKSA-N	-1	1	253.261	0.573	50	0		CCAAMM
Cc1sc(-n2cnnn2)c(C(=O)Nc2nnn[n-]2)c1C	ZINC000524732782	420394501	/nfs/dbraw/zinc/39/45/01/420394501.db2.gz	NORVJAWCSIHIIF-UHFFFAOYSA-N	-1	1	291.300	0.106	50	0		CCAAMM
Cc1sc(-n2cnnn2)c(C(=O)Nc2nn[n-]n2)c1C	ZINC000524732782	420394505	/nfs/dbraw/zinc/39/45/05/420394505.db2.gz	NORVJAWCSIHIIF-UHFFFAOYSA-N	-1	1	291.300	0.106	50	0		CCAAMM
COc1ccc2c(c1)OCCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC000328699776	545019198	/nfs/dbraw/zinc/01/91/98/545019198.db2.gz	MKDXOLZTGLTCEM-UHFFFAOYSA-N	-1	1	290.323	0.512	50	0		CCAAMM
C[C@@H]1c2cccn2CCN1C(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000067872684	525730822	/nfs/dbraw/zinc/73/08/22/525730822.db2.gz	LSBRJEDCLLPATG-SECBINFHSA-N	-1	1	288.307	0.423	50	0		CCAAMM
CC(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1cccnc1	ZINC000254838324	630932462	/nfs/dbraw/zinc/93/24/62/630932462.db2.gz	BYAQYGIMMYGBPV-SECBINFHSA-N	-1	1	292.320	0.868	50	0		CCAAMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)[n-]n1	ZINC000952995373	649615478	/nfs/dbraw/zinc/61/54/78/649615478.db2.gz	JVXMPQZIPFWUTR-SSDOTTSWSA-N	-1	1	287.341	0.615	50	0		CCAAMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)n[n-]1	ZINC000952995373	649615479	/nfs/dbraw/zinc/61/54/79/649615479.db2.gz	JVXMPQZIPFWUTR-SSDOTTSWSA-N	-1	1	287.341	0.615	50	0		CCAAMM
O=C([C@@H]1CCCS1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC000952882542	841587324	/nfs/dbraw/zinc/58/73/24/841587324.db2.gz	SDJWEYFVSVYZMU-ZJUUUORDSA-N	-1	1	281.385	0.876	50	0		CCAAMM
O=C([C@@H]1C[C@@H]1C1CC1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000095976980	185050535	/nfs/dbraw/zinc/05/05/35/185050535.db2.gz	SVGARPXTLHEWAT-HBNTYKKESA-N	-1	1	261.329	0.952	50	0		CCAAMM
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]c1=S	ZINC000001715859	347961555	/nfs/dbraw/zinc/96/15/55/347961555.db2.gz	AVKSPBJBGGHUMW-XLPZGREQSA-N	-1	1	258.299	0.267	50	0		CCAAMM
COc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1O	ZINC000003159717	347979133	/nfs/dbraw/zinc/97/91/33/347979133.db2.gz	QZUBLMWNMUCLAW-QPJJXVBHSA-N	-1	1	250.279	0.746	50	0	biogenic	CCAAMM
Nc1nc([O-])c(CC(=O)NCc2ccccc2)s1	ZINC000018136830	348056210	/nfs/dbraw/zinc/05/62/10/348056210.db2.gz	DDIPBYADEICMPZ-SECBINFHSA-N	-1	1	263.322	0.650	50	0		CCAAMM
CC(C)=C[C@H]1[C@@H](C(=O)NN2CC(=O)[N-]C2=O)C1(C)C	ZINC000029023736	348110384	/nfs/dbraw/zinc/11/03/84/348110384.db2.gz	JMCBUOXISNGMBI-WPRPVWTQSA-N	-1	1	265.313	0.808	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccnc2)o1	ZINC000032646730	348136692	/nfs/dbraw/zinc/13/66/92/348136692.db2.gz	JATDNZULGYFZLY-UHFFFAOYSA-N	-1	1	295.320	0.513	50	0		CCAAMM
Cn1cccc1C=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000254629322	352539155	/nfs/dbraw/zinc/53/91/55/352539155.db2.gz	HTLORNYFSYVJGF-MRVPVSSYSA-N	-1	1	280.309	0.421	50	0		CCAAMM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C)no1)C(C)C	ZINC000069696768	348857436	/nfs/dbraw/zinc/85/74/36/348857436.db2.gz	UAKXLHOLYGXLNS-JTQLQIEISA-N	-1	1	290.341	0.600	50	0		CCAAMM
CCC[C@@H](NC(=O)c1cc(C)on1)c1nn[n-]n1	ZINC000089949660	349415715	/nfs/dbraw/zinc/41/57/15/349415715.db2.gz	NNPGLLRGWYOBME-SSDOTTSWSA-N	-1	1	250.262	0.767	50	0		CCAAMM
CCCc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)n[nH]1	ZINC000236898975	352226006	/nfs/dbraw/zinc/22/60/06/352226006.db2.gz	RBBLLJUABRNXQB-JTQLQIEISA-N	-1	1	267.285	0.288	50	0		CCAAMM
CC[C@H](NC(=O)Cc1c(C)[n-][nH]c1=O)[C@H]1C[C@H](O)C1	ZINC000244874438	352314532	/nfs/dbraw/zinc/31/45/32/352314532.db2.gz	XBFPLUJOFXEUFV-QXEWZRGKSA-N	-1	1	267.329	0.220	50	0		CCAAMM
CNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)ncc2[O-])C1	ZINC000584896973	359237330	/nfs/dbraw/zinc/23/73/30/359237330.db2.gz	AKPYSMQVJQXJAI-SNVBAGLBSA-N	-1	1	277.324	0.694	50	0		CCAAMM
CC(C)c1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n[nH]1	ZINC000236600714	189835118	/nfs/dbraw/zinc/83/51/18/189835118.db2.gz	WOAPUZIFASUXIT-VIFPVBQESA-N	-1	1	281.312	0.849	50	0		CCAAMM
C[C@@H]1CN(C(=O)CSc2nc(N)cc(=O)[n-]2)C[C@H](C)O1	ZINC000018127765	388791645	/nfs/dbraw/zinc/79/16/45/388791645.db2.gz	WDJUNOJXIAAGMD-OCAPTIKFSA-N	-1	1	298.368	0.080	50	0		CCAAMM
Cc1[nH]nc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C	ZINC000426380333	389664716	/nfs/dbraw/zinc/66/47/16/389664716.db2.gz	FSACOKHMSZFWAZ-LLVKDONJSA-N	-1	1	281.312	0.271	50	0		CCAAMM
O=c1[nH]c2c(-c3nnn[n-]3)cnn2c2ccccc12	ZINC000020390482	397374607	/nfs/dbraw/zinc/37/46/07/397374607.db2.gz	XCBIYEHDOASYDV-UHFFFAOYSA-N	-1	1	253.225	0.768	50	0		CCAAMM
O=c1[nH]c2c(-c3nn[n-]n3)cnn2c2ccccc12	ZINC000020390482	397374611	/nfs/dbraw/zinc/37/46/11/397374611.db2.gz	XCBIYEHDOASYDV-UHFFFAOYSA-N	-1	1	253.225	0.768	50	0		CCAAMM
Cc1ccc(CC(=O)N2CCN(CC(=O)[O-])CC2)cc1	ZINC000035680157	172351450	/nfs/dbraw/zinc/35/14/50/172351450.db2.gz	LWBMHSJPXWTRLQ-UHFFFAOYSA-N	-1	1	276.336	0.766	50	0		CCAAMM
CCSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000534652013	328337598	/nfs/dbraw/zinc/33/75/98/328337598.db2.gz	PXNNXUKEKODFQM-QMMMGPOBSA-N	-1	1	257.315	0.275	50	0		CCAAMM
Cc1n[nH]c(CCC(=O)N[C@H](C(=O)[O-])C2CC2)n1	ZINC000426405070	812789348	/nfs/dbraw/zinc/78/93/48/812789348.db2.gz	AZPQEFQTCGJRKR-JTQLQIEISA-N	-1	1	252.274	0.025	50	0		CCAAMM
CS(=O)(=O)CCNC(=O)N=c1[n-]sc2ccccc21	ZINC000585119605	839609783	/nfs/dbraw/zinc/60/97/83/839609783.db2.gz	MVTRIHDPMSVDKR-UHFFFAOYSA-N	-1	1	299.377	0.884	50	0		CCAAMM
C[C@H](CN(C)C(=O)COc1ccccc1)c1nn[n-]n1	ZINC000095243125	349598422	/nfs/dbraw/zinc/59/84/22/349598422.db2.gz	GMORUXIWFQKWNB-SNVBAGLBSA-N	-1	1	275.312	0.841	50	0		CCAAMM
CCOCCCNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000097099213	349627436	/nfs/dbraw/zinc/62/74/36/349627436.db2.gz	YRDXOBIMZORLRL-UHFFFAOYSA-N	-1	1	265.313	0.804	50	0		CCAAMM
CCCS(=O)(=O)[N-]c1cncnc1-n1cccn1	ZINC000097101539	185532544	/nfs/dbraw/zinc/53/25/44/185532544.db2.gz	ABRZYBJQEKKLFL-UHFFFAOYSA-N	-1	1	267.314	0.814	50	0		CCAAMM
CCOC(=O)CSCC[C@@H]1N[C@@H](C(=O)[O-])CS1	ZINC000001846342	347962657	/nfs/dbraw/zinc/96/26/57/347962657.db2.gz	IKOCLISPVJZJEA-HTQZYQBOSA-N	-1	1	279.383	0.789	50	0	in-man	CCAAMM
COCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[n-]1	ZINC000007418715	348007683	/nfs/dbraw/zinc/00/76/83/348007683.db2.gz	GSNBQZACCVXIJF-UHFFFAOYSA-N	-1	1	277.284	0.157	50	0		CCAAMM
O=C(NC[C@@H]1CCCO1)c1nc2ccccc2c(=O)[n-]1	ZINC000016648942	348049954	/nfs/dbraw/zinc/04/99/54/348049954.db2.gz	UOCGAXREDCGFGD-VIFPVBQESA-N	-1	1	273.292	0.832	50	0		CCAAMM
CN1CCN(c2nnc(Cc3ccccc3)c(=O)[n-]2)CC1	ZINC000017044669	348052659	/nfs/dbraw/zinc/05/26/59/348052659.db2.gz	FQWMCEIDLQQAIC-UHFFFAOYSA-N	-1	1	285.351	0.920	50	0		CCAAMM
CN1CC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1=O	ZINC000080029635	349198824	/nfs/dbraw/zinc/19/88/24/349198824.db2.gz	UQVPMUYIMIKEMK-SECBINFHSA-N	-1	1	252.245	0.492	50	0		CCAAMM
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cnc[nH]1)CC2	ZINC000091859770	180275623	/nfs/dbraw/zinc/27/56/23/180275623.db2.gz	BDUAMUAOIGKCPE-NSHDSACASA-N	-1	1	292.339	0.307	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)[C@@H]2CC23CCC3)CC1	ZINC000426517764	295984585	/nfs/dbraw/zinc/98/45/85/295984585.db2.gz	CWIAYZYKMXBPPY-NSHDSACASA-N	-1	1	266.341	0.796	50	0		CCAAMM
CCn1nccc1CCS(=O)(=O)c1n[n-]c(C2CC2)n1	ZINC000585136846	359251511	/nfs/dbraw/zinc/25/15/11/359251511.db2.gz	VQOVGIHADGLJCB-UHFFFAOYSA-N	-1	1	295.368	0.915	50	0		CCAAMM
CCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1	ZINC000024663770	388808559	/nfs/dbraw/zinc/80/85/59/388808559.db2.gz	XRDMGODUFJYWKC-VIFPVBQESA-N	-1	1	292.291	0.836	50	0		CCAAMM
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)[O-])cc2)[nH]1	ZINC000012480354	388784433	/nfs/dbraw/zinc/78/44/33/388784433.db2.gz	LDQKGHZUWRHMNQ-UHFFFAOYSA-N	-1	1	276.248	0.579	50	0		CCAAMM
COC[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000027939773	388825196	/nfs/dbraw/zinc/82/51/96/388825196.db2.gz	VNZLBPVFBMJUMD-ZCFIWIBFSA-N	-1	1	267.738	0.387	50	0		CCAAMM
O=C(Nc1nn[n-]n1)c1n[nH]c2c1CCc1ccccc1-2	ZINC000170625732	389457921	/nfs/dbraw/zinc/45/79/21/389457921.db2.gz	CUNFYHPEGZIYQE-UHFFFAOYSA-N	-1	1	281.279	0.941	50	0		CCAAMM
CO[C@@H]1C[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC000650185951	397703237	/nfs/dbraw/zinc/70/32/37/397703237.db2.gz	WIQKWJOXFJNSLC-DTWKUNHWSA-N	-1	1	252.318	0.900	50	0		CCAAMM
O=S(=O)(C[C@@H]1CC1(Cl)Cl)c1nc[n-]n1	ZINC000009142802	170364883	/nfs/dbraw/zinc/36/48/83/170364883.db2.gz	ALCHFSBESHECBC-BYPYZUCNSA-N	-1	1	256.114	0.772	50	0		CCAAMM
CCC(=O)c1c([O-])n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000009190194	170365947	/nfs/dbraw/zinc/36/59/47/170365947.db2.gz	UBOTUHFCDATHKB-UHFFFAOYSA-N	-1	1	274.276	0.883	50	0		CCAAMM
CC[C@@H](CO)NC(=O)c1c([O-])nc2scc(C)n2c1=O	ZINC000010166680	170399788	/nfs/dbraw/zinc/39/97/88/170399788.db2.gz	AVRLHMRMFMJEPS-ZETCQYMHSA-N	-1	1	297.336	0.271	50	0		CCAAMM
C[C@H](C(=O)[O-])N1CCN(C(=O)c2ccccc2)CC1	ZINC000020180649	171045210	/nfs/dbraw/zinc/04/52/10/171045210.db2.gz	HZJGKMJTEFDHCR-LLVKDONJSA-N	-1	1	262.309	0.918	50	0		CCAAMM
CS(=O)(=O)NCCNC(=O)c1cc(Cl)ccc1[O-]	ZINC000035207798	172053088	/nfs/dbraw/zinc/05/30/88/172053088.db2.gz	NUEOLHRUVQOKGZ-UHFFFAOYSA-N	-1	1	292.744	0.325	50	0		CCAAMM
COC[C@](C)(O)C[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000070644081	175999187	/nfs/dbraw/zinc/99/91/87/175999187.db2.gz	KMXBUJVOVOEFCG-LLVKDONJSA-N	-1	1	295.307	0.641	50	0		CCAAMM
CC(=O)N1CCN(Cc2cccnc2)C[C@H](C(=O)[O-])C1	ZINC000072344436	176373034	/nfs/dbraw/zinc/37/30/34/176373034.db2.gz	UJRYOEPTQRRQHB-ZDUSSCGKSA-N	-1	1	277.324	0.447	50	0		CCAAMM
CC(=O)N1CCN(Cc2cccnc2)C[C@@H](C(=O)[O-])C1	ZINC000072344437	176373062	/nfs/dbraw/zinc/37/30/62/176373062.db2.gz	UJRYOEPTQRRQHB-CYBMUJFWSA-N	-1	1	277.324	0.447	50	0		CCAAMM
CC(=O)N1CCC[C@H](CNC(=O)c2ccncc2[O-])C1	ZINC000222221408	544820230	/nfs/dbraw/zinc/82/02/30/544820230.db2.gz	SBQMOIRZCWKXIU-LLVKDONJSA-N	-1	1	277.324	0.776	50	0		CCAAMM
Cc1csc2nc([O-])c(C(=O)NC(C)C)c(=O)n12	ZINC000010166668	302458270	/nfs/dbraw/zinc/45/82/70/302458270.db2.gz	SJEHZXWPWBJAJS-UHFFFAOYSA-N	-1	1	267.310	0.908	50	0		CCAAMM
Cn1nc(C(=O)[O-])c2c1CCN([C@@H]1CCSC1)C2	ZINC000534651108	328337303	/nfs/dbraw/zinc/33/73/03/328337303.db2.gz	WOPFHSMYOMDYIQ-MRVPVSSYSA-N	-1	1	267.354	0.982	50	0		CCAAMM
Cc1cc(N2CCC[C@@H]2C(=O)[O-])nc(N2CCOCC2)n1	ZINC000534673095	328348723	/nfs/dbraw/zinc/34/87/23/328348723.db2.gz	MAZJGAHWDFSBPN-LLVKDONJSA-N	-1	1	292.339	0.675	50	0		CCAAMM
O=C([O-])CCN1CCN(Cc2nccs2)CC1	ZINC000094969217	328448803	/nfs/dbraw/zinc/44/88/03/328448803.db2.gz	LPYYRGYQRNWKOZ-UHFFFAOYSA-N	-1	1	255.343	0.735	50	0		CCAAMM
O=C1[N-]C(=S)NC(=O)C1=c1[nH]c2cccc3cccc1c23	ZINC000685942046	545870378	/nfs/dbraw/zinc/87/03/78/545870378.db2.gz	KMXJRRNPQIMXGE-UHFFFAOYSA-N	-1	1	295.323	0.722	50	0		CCAAMM
CCN1CCN(CC(=O)N2CCCC[C@H]2C(=O)[O-])CC1	ZINC000737116007	581910232	/nfs/dbraw/zinc/91/02/32/581910232.db2.gz	RPMDFYIUVXUDAJ-LBPRGKRZSA-N	-1	1	283.372	0.090	50	0		CCAAMM
CN1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC000426517772	812838552	/nfs/dbraw/zinc/83/85/52/812838552.db2.gz	DPLCCRZOBKPIIB-NWDGAFQWSA-N	-1	1	278.308	0.728	50	0		CCAAMM
Cc1nc2ccccc2n1CC(=O)NCCCc1nn[n-]n1	ZINC000426518833	812840120	/nfs/dbraw/zinc/84/01/20/812840120.db2.gz	RSAMHFLTEPAKLM-UHFFFAOYSA-N	-1	1	299.338	0.607	50	0		CCAAMM
O=C(N[C@H]1C[C@@H](c2cc(=O)[nH]cn2)C1)c1ncccc1[O-]	ZINC000828401259	821769191	/nfs/dbraw/zinc/76/91/91/821769191.db2.gz	YWUIQSPLTIGXQQ-DTORHVGOSA-N	-1	1	286.291	0.959	50	0		CCAAMM
CO[C@H](C)CS(=O)(=O)[N-]c1cnc2ccnn2c1	ZINC000585129750	839616651	/nfs/dbraw/zinc/61/66/51/839616651.db2.gz	UTXNQJYMFOCHNB-MRVPVSSYSA-N	-1	1	270.314	0.506	50	0		CCAAMM
CCOC(=O)c1cnc(=NN(C)C[C@@H](C)O)[n-]c1C	ZINC000952883923	841589170	/nfs/dbraw/zinc/58/91/70/841589170.db2.gz	ZMVRJWMTAXYGFE-MRVPVSSYSA-N	-1	1	268.317	0.601	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2cccc(F)c2)c(=O)[nH]c1=O	ZINC000100316125	349657188	/nfs/dbraw/zinc/65/71/88/349657188.db2.gz	PFVNKLREUUMAKX-SECBINFHSA-N	-1	1	264.212	0.614	50	0		CCAAMM
COc1ccc(Cc2c([O-])[nH]c(=S)[nH]c2=O)cc1	ZINC000000758708	347951531	/nfs/dbraw/zinc/95/15/31/347951531.db2.gz	JOIOSSGNELWVEA-UHFFFAOYSA-N	-1	1	264.306	0.385	50	0		CCAAMM
[NH3+][C@@](CCC[P@](=O)([O-])O)(Cc1ccccc1)C(=O)[O-]	ZINC000002139830	347964593	/nfs/dbraw/zinc/96/45/93/347964593.db2.gz	INNSNCKMMLGBAD-LBPRGKRZSA-N	-1	1	287.252	0.969	50	0	biogenic	CCAAMM
CC[C@@H](Sc1nc2c(ncnc2N)[nH]1)C(=O)[O-]	ZINC000000281025	347943305	/nfs/dbraw/zinc/94/33/05/347943305.db2.gz	USXGXECUDHKQHW-SCSAIBSYSA-N	-1	1	253.287	0.890	50	0		CCAAMM
CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)[O-]	ZINC000004086216	347989298	/nfs/dbraw/zinc/98/92/98/347989298.db2.gz	KQLYNTGVFIMIPD-STQMWFEESA-N	-1	1	276.336	0.926	50	0	biogenic	CCAAMM
CNc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000006911191	348005231	/nfs/dbraw/zinc/00/52/31/348005231.db2.gz	HNYSGQBQRSRHQT-XBXARRHUSA-N	-1	1	278.293	0.982	50	0		CCAAMM
CC(C)=C[C@@H]1[C@H](C(=O)NN2CC(=O)[N-]C2=O)C1(C)C	ZINC000029023739	348110014	/nfs/dbraw/zinc/11/00/14/348110014.db2.gz	JMCBUOXISNGMBI-PSASIEDQSA-N	-1	1	265.313	0.808	50	0		CCAAMM
CC(C)NC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000033324837	348145602	/nfs/dbraw/zinc/14/56/02/348145602.db2.gz	SHHJBIZXPQZIEE-UHFFFAOYSA-N	-1	1	267.314	0.675	50	0		CCAAMM
Cc1ccc(C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)o1	ZINC000254756635	352539125	/nfs/dbraw/zinc/53/91/25/352539125.db2.gz	XWXKTGKKVUQLTI-QMMMGPOBSA-N	-1	1	281.293	0.984	50	0		CCAAMM
O=C([N-]CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)C(F)(F)F	ZINC000067879657	348789702	/nfs/dbraw/zinc/78/97/02/348789702.db2.gz	GDCFAKHIIGVLEI-HRDYMLBCSA-N	-1	1	276.258	0.993	50	0		CCAAMM
COCCc1nnc([N-]C(=O)c2cc(C)on2)o1	ZINC000075154677	349024229	/nfs/dbraw/zinc/02/42/29/349024229.db2.gz	VHHTZTAAMCMZMN-UHFFFAOYSA-N	-1	1	252.230	0.807	50	0		CCAAMM
CN1CC[N@H+]2C[C@@H](NC(=O)c3ccc(F)c(O)c3)C[C@H]2C1	ZINC000215767089	351937813	/nfs/dbraw/zinc/93/78/13/351937813.db2.gz	IRBPULBHNJVWQH-RYUDHWBXSA-N	-1	1	293.342	0.649	50	0		CCAAMM
CC(C)N1C[C@H](CNC(=O)c2ccc([O-])cn2)CC1=O	ZINC000221335460	351977581	/nfs/dbraw/zinc/97/75/81/351977581.db2.gz	UCCMENWPQXRXBW-JTQLQIEISA-N	-1	1	277.324	0.774	50	0		CCAAMM
CCCc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)n[nH]1	ZINC000236898897	352225933	/nfs/dbraw/zinc/22/59/33/352225933.db2.gz	RBBLLJUABRNXQB-SNVBAGLBSA-N	-1	1	267.285	0.288	50	0		CCAAMM
COC(=O)CCC(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000242389653	352307139	/nfs/dbraw/zinc/30/71/39/352307139.db2.gz	ZZICJZQWKKMDJS-UHFFFAOYSA-N	-1	1	262.269	0.234	50	0		CCAAMM
CC(C)NC(=O)Cc1sc(N2CCOCC2)nc1[O-]	ZINC000012409664	388783669	/nfs/dbraw/zinc/78/36/69/388783669.db2.gz	UZFYNODGDJYGKQ-SECBINFHSA-N	-1	1	285.369	0.231	50	0		CCAAMM
COc1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000036008973	388837959	/nfs/dbraw/zinc/83/79/59/388837959.db2.gz	LMLSSYWZBJKKEA-GFCCVEGCSA-N	-1	1	289.291	0.844	50	0	biogenic,in-vitro	CCAAMM
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nnn[n-]1)C2	ZINC000080353979	292004143	/nfs/dbraw/zinc/00/41/43/292004143.db2.gz	FMPLYGGDAYCRNQ-SNVBAGLBSA-N	-1	1	259.269	0.759	50	0		CCAAMM
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nn[n-]n1)C2	ZINC000080353979	292004144	/nfs/dbraw/zinc/00/41/44/292004144.db2.gz	FMPLYGGDAYCRNQ-SNVBAGLBSA-N	-1	1	259.269	0.759	50	0		CCAAMM
Cc1cc(=O)n(-c2cccc(S(N)(=O)=O)c2)[n-]1	ZINC000005725032	170133546	/nfs/dbraw/zinc/13/35/46/170133546.db2.gz	PPEKQURPUIEILH-UHFFFAOYSA-N	-1	1	253.283	0.121	50	0		CCAAMM
O=C(Cn1c(=O)sc2ccccc21)Nc1nnn[n-]1	ZINC000006661274	170223485	/nfs/dbraw/zinc/22/34/85/170223485.db2.gz	NGFWUDKNNSBYEY-UHFFFAOYSA-N	-1	1	276.281	0.215	50	0		CCAAMM
O=C(Cn1c(=O)sc2ccccc21)Nc1nn[n-]n1	ZINC000006661274	170223486	/nfs/dbraw/zinc/22/34/86/170223486.db2.gz	NGFWUDKNNSBYEY-UHFFFAOYSA-N	-1	1	276.281	0.215	50	0		CCAAMM
O=C(COc1ccc(Cl)cc1)NN1CC(=O)[N-]C1=O	ZINC000007002611	170261393	/nfs/dbraw/zinc/26/13/93/170261393.db2.gz	VVYDJSFKQYDUAF-UHFFFAOYSA-N	-1	1	283.671	0.302	50	0		CCAAMM
COC[C@H](C)NC(=O)c1c([O-])nc2sccn2c1=O	ZINC000010166635	170399737	/nfs/dbraw/zinc/39/97/37/170399737.db2.gz	SKZCNNMZVRYVOW-LURJTMIESA-N	-1	1	283.309	0.226	50	0		CCAAMM
CC(C)NC(=O)CNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000020719820	171270515	/nfs/dbraw/zinc/27/05/15/171270515.db2.gz	NGENGQTWQLKCBN-UHFFFAOYSA-N	-1	1	288.307	0.178	50	0		CCAAMM
CN(C[P@](=O)([O-])CN1CCCCC1)S(C)(=O)=O	ZINC000022108492	171352797	/nfs/dbraw/zinc/35/27/97/171352797.db2.gz	UNMAPOOGSZAKQZ-UHFFFAOYSA-N	-1	1	284.318	0.549	50	0		CCAAMM
CCC(CC)(C(=O)[O-])C(=O)N(C)Cc1nnc[nH]1	ZINC000653289243	412281446	/nfs/dbraw/zinc/28/14/46/412281446.db2.gz	NCVQQNLXCIIOPT-UHFFFAOYSA-N	-1	1	254.290	0.654	50	0		CCAAMM
CC(=O)N1c2ccccc2C(=C2NC(=S)[N-]C2=O)C1=O	ZINC000018144029	275476568	/nfs/dbraw/zinc/47/65/68/275476568.db2.gz	QLTAQYZCTZDTFS-MDZDMXLPSA-N	-1	1	287.300	0.706	50	0		CCAAMM
Cc1nn(C)c(C)c1[C@H]1CC(=O)Nc2nc(N)[n-]c(=O)c21	ZINC000670416089	545233915	/nfs/dbraw/zinc/23/39/15/545233915.db2.gz	JDMRHXIAUOVRJO-SSDOTTSWSA-N	-1	1	288.311	0.589	50	0		CCAAMM
CN1C(=O)C(=C([O-])c2ccccc2)C(=O)N(C)C1=O	ZINC000100293227	349657020	/nfs/dbraw/zinc/65/70/20/349657020.db2.gz	LJAPPXNROQLECP-UHFFFAOYSA-N	-1	1	260.249	0.536	50	0		CCAAMM
[NH3+][C@H](Cc1ccc(C[P@](=O)([O-])O)cc1)C(=O)[O-]	ZINC000020112424	348077145	/nfs/dbraw/zinc/07/71/45/348077145.db2.gz	SAQLLHDEEMZENJ-SECBINFHSA-N	-1	1	259.198	0.319	50	0	biogenic	CCAAMM
CC(C)=C[C@@H]1[C@@H](C(=O)NN2CC(=O)[N-]C2=O)C1(C)C	ZINC000029023733	348110048	/nfs/dbraw/zinc/11/00/48/348110048.db2.gz	JMCBUOXISNGMBI-SCZZXKLOSA-N	-1	1	265.313	0.808	50	0		CCAAMM
Cc1csc2c1ncn(CCCc1nn[n-]n1)c2=O	ZINC000042460195	348280585	/nfs/dbraw/zinc/28/05/85/348280585.db2.gz	GUXNJJFBNJJXLE-UHFFFAOYSA-N	-1	1	276.325	0.912	50	0		CCAAMM
Cn1cccc1C=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000254629326	352539026	/nfs/dbraw/zinc/53/90/26/352539026.db2.gz	HTLORNYFSYVJGF-QMMMGPOBSA-N	-1	1	280.309	0.421	50	0		CCAAMM
O=C(Nc1nnn[n-]1)c1ccc(NC(=O)C2CC2)cc1	ZINC000069369685	348842784	/nfs/dbraw/zinc/84/27/84/348842784.db2.gz	HMOOYKXSIDZHPS-UHFFFAOYSA-N	-1	1	272.268	0.801	50	0		CCAAMM
O=C(Nc1nn[n-]n1)c1ccc(NC(=O)C2CC2)cc1	ZINC000069369685	348842787	/nfs/dbraw/zinc/84/27/87/348842787.db2.gz	HMOOYKXSIDZHPS-UHFFFAOYSA-N	-1	1	272.268	0.801	50	0		CCAAMM
CC(=O)N1CCN(Cc2ccccc2C(=O)[O-])C[C@H](O)C1	ZINC000091973917	180296557	/nfs/dbraw/zinc/29/65/57/180296557.db2.gz	YENGZOJBJHZWAC-ZDUSSCGKSA-N	-1	1	292.335	0.410	50	0		CCAAMM
CN1C[C@@H](CNC(=O)c2ccc([O-])cc2F)OCC1=O	ZINC000215811148	351937746	/nfs/dbraw/zinc/93/77/46/351937746.db2.gz	NCGQRJWZKCXXCA-SECBINFHSA-N	-1	1	282.271	0.118	50	0		CCAAMM
COc1cccc2c(O)c(C(=O)Nc3nn[n-]n3)cnc12	ZINC000218291416	351957341	/nfs/dbraw/zinc/95/73/41/351957341.db2.gz	UJOPJXYOLOVQFQ-UHFFFAOYSA-N	-1	1	286.251	0.714	50	0		CCAAMM
C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1c[nH]cn1	ZINC000225400586	352003936	/nfs/dbraw/zinc/00/39/36/352003936.db2.gz	GYPWRMKTCVASGZ-QWRGUYRKSA-N	-1	1	286.401	0.808	50	0		CCAAMM
O=C([O-])c1ccc(N2CCN(CCO)CC2)cc1	ZINC000008418674	304246728	/nfs/dbraw/zinc/24/67/28/304246728.db2.gz	BEQXROVHHVUMIU-UHFFFAOYSA-N	-1	1	250.298	0.499	50	0		CCAAMM
CCn1c(C)nc2[n-]c3c(c(=O)c21)c(=O)n(C)c(=O)n3C	ZINC000008662726	388765295	/nfs/dbraw/zinc/76/52/95/388765295.db2.gz	CBIGDZPTDBZJBQ-UHFFFAOYSA-N	-1	1	289.295	0.016	50	0		CCAAMM
C[C@]1(CO)CCCN(Cc2cnn(CCC(=O)[O-])c2)C1	ZINC000097745022	389069350	/nfs/dbraw/zinc/06/93/50/389069350.db2.gz	WOAWFUVTMCLLOD-AWEZNQCLSA-N	-1	1	281.356	0.952	50	0		CCAAMM
C[C@H](C(=O)NCCCc1nn[n-]n1)n1cc(Cl)cn1	ZINC000426510609	389670907	/nfs/dbraw/zinc/67/09/07/389670907.db2.gz	JFJCFXWOLWBLKO-SSDOTTSWSA-N	-1	1	283.723	0.360	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)c1cc(-c2ccccc2)n[nH]1	ZINC000426623255	389675478	/nfs/dbraw/zinc/67/54/78/389675478.db2.gz	PWHHOMBMLTZMEN-UHFFFAOYSA-N	-1	1	297.322	0.952	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N1CCC(c2ncon2)CC1	ZINC000426739136	389678123	/nfs/dbraw/zinc/67/81/23/389678123.db2.gz	XZNPJGNLMJGGRK-UHFFFAOYSA-N	-1	1	291.311	0.755	50	0		CCAAMM
O=c1c([O-])c(N2CCN(c3ccc(F)cc3)CC2)c1=O	ZINC000101395600	397403318	/nfs/dbraw/zinc/40/33/18/397403318.db2.gz	OWDVPDGFWAGWMR-UHFFFAOYSA-N	-1	1	276.267	0.454	50	0		CCAAMM
Cc1nc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n[nH]1	ZINC000285307458	196246447	/nfs/dbraw/zinc/24/64/47/196246447.db2.gz	HUWJETOWNWUKRX-ZCFIWIBFSA-N	-1	1	285.329	0.757	50	0		CCAAMM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[nH]1	ZINC000285307458	196246449	/nfs/dbraw/zinc/24/64/49/196246449.db2.gz	HUWJETOWNWUKRX-ZCFIWIBFSA-N	-1	1	285.329	0.757	50	0		CCAAMM
COc1cccc(CC(=O)N2CCN(CC(=O)[O-])CC2)c1	ZINC000035680292	172351458	/nfs/dbraw/zinc/35/14/58/172351458.db2.gz	MWUGNZFESOYHTD-UHFFFAOYSA-N	-1	1	292.335	0.467	50	0		CCAAMM
Cc1ccc2c(c1)/C(=C1/NC(=S)[N-]C1=O)C(=O)N2C	ZINC000100259613	281050112	/nfs/dbraw/zinc/05/01/12/281050112.db2.gz	UEPPATMSSILKLJ-KTKRTIGZSA-N	-1	1	273.317	0.687	50	0		CCAAMM
O=C([O-])CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1	ZINC000534673732	328348812	/nfs/dbraw/zinc/34/88/12/328348812.db2.gz	SMYAWMMDOLOKPJ-QWRGUYRKSA-N	-1	1	270.329	0.221	50	0		CCAAMM
C[C@]1(O)CCN(C(=O)c2ccc([O-])c(F)c2)C[C@@H]1O	ZINC000096150056	327203843	/nfs/dbraw/zinc/20/38/43/327203843.db2.gz	ZTPDZMNGUZTIJU-AAEUAGOBSA-N	-1	1	269.272	0.489	50	0		CCAAMM
CCC[C@H](NC(=O)c1cnsn1)c1nn[n-]n1	ZINC000096466433	528205979	/nfs/dbraw/zinc/20/59/79/528205979.db2.gz	SHSPOFIUBRXBRO-YFKPBYRVSA-N	-1	1	253.291	0.322	50	0		CCAAMM
CCNc1nc(C)c(C(=O)NCc2nn[n-]n2)s1	ZINC000952988385	615140655	/nfs/dbraw/zinc/14/06/55/615140655.db2.gz	LNWRWTCICJHYAP-UHFFFAOYSA-N	-1	1	267.318	0.326	50	0		CCAAMM
Cc1cc2c(ncn(CCCc3nn[n-]n3)c2=O)s1	ZINC000032503434	816268433	/nfs/dbraw/zinc/26/84/33/816268433.db2.gz	XPQDDQKIFRDHCY-UHFFFAOYSA-N	-1	1	276.325	0.912	50	0		CCAAMM
O=C1NCCCc2[n-]c(-c3noc([C@@H]4CCCO4)n3)nc21	ZINC000095529539	185005293	/nfs/dbraw/zinc/00/52/93/185005293.db2.gz	NZMGQVJUBAKYAZ-QMMMGPOBSA-N	-1	1	289.295	0.987	50	0		CCAAMM
O=C1NCCCc2nc(-c3noc([C@@H]4CCCO4)n3)[n-]c21	ZINC000095529539	185005295	/nfs/dbraw/zinc/00/52/95/185005295.db2.gz	NZMGQVJUBAKYAZ-QMMMGPOBSA-N	-1	1	289.295	0.987	50	0		CCAAMM
COc1cccc(C(=O)NC[C@@H](C)c2nn[n-]n2)c1F	ZINC000097377535	349640082	/nfs/dbraw/zinc/64/00/82/349640082.db2.gz	BTAQSCIUOMJJKV-SSDOTTSWSA-N	-1	1	279.275	0.881	50	0		CCAAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccccc3)C2)c1=O	ZINC000101763534	349669340	/nfs/dbraw/zinc/66/93/40/349669340.db2.gz	CEWCPVVVAZMJFK-VIFPVBQESA-N	-1	1	286.291	0.218	50	0		CCAAMM
CC[C@H](C)C(=O)N[C@@]([O-])(C(=O)OC)C(F)(F)F	ZINC000002305933	347965823	/nfs/dbraw/zinc/96/58/23/347965823.db2.gz	KWXHNPFNVYAWSD-YLWLKBPMSA-N	-1	1	257.208	0.573	50	0		CCAAMM
Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c([O-])c1CCO	ZINC000018240793	348057263	/nfs/dbraw/zinc/05/72/63/348057263.db2.gz	XAKLOEQMNBAQLY-UHFFFAOYSA-N	-1	1	285.303	0.850	50	0		CCAAMM
COc1ccccc1[C@@H]1CN(CC(N)=O)C[C@H]1C(=O)[O-]	ZINC000091620937	180208647	/nfs/dbraw/zinc/20/86/47/180208647.db2.gz	ZWSFCCCVBWKDCT-WDEREUQCSA-N	-1	1	278.308	0.281	50	0		CCAAMM
CC(C)n1ccc(C(=O)NC(C)(C)c2nn[n-]n2)n1	ZINC000354773907	356495778	/nfs/dbraw/zinc/49/57/78/356495778.db2.gz	NYRWVYANUXUVQI-UHFFFAOYSA-N	-1	1	263.305	0.642	50	0		CCAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1Cc1cscn1	ZINC000095526752	304208093	/nfs/dbraw/zinc/20/80/93/304208093.db2.gz	RZFJSOZFWNRWHW-SNVBAGLBSA-N	-1	1	264.310	0.878	50	0		CCAAMM
Nc1[nH]c(=S)[n-]c(=O)c1NC(=O)c1ccco1	ZINC000011919889	295343870	/nfs/dbraw/zinc/34/38/70/295343870.db2.gz	APAGAXLAJGOZOF-UHFFFAOYSA-N	-1	1	252.255	0.860	50	0		CCAAMM
O=C(c1ncccc1[O-])N1CCC2(COC(=O)O2)CC1	ZINC000219209411	296305326	/nfs/dbraw/zinc/30/53/26/296305326.db2.gz	WBASXQKPJXKTDD-UHFFFAOYSA-N	-1	1	278.264	0.929	50	0		CCAAMM
C[C@@H]1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H](C)C1	ZINC000544757314	285841915	/nfs/dbraw/zinc/84/19/15/285841915.db2.gz	SGADDNPLBIMMLY-IUCAKERBSA-N	-1	1	289.339	0.972	50	0		CCAAMM
COC(=O)Cc1cc(=O)oc2cc(O)cc([O-])c12	ZINC000006520424	170209000	/nfs/dbraw/zinc/20/90/00/170209000.db2.gz	VJCONJYUQIRPQG-UHFFFAOYSA-N	-1	1	250.206	0.920	50	0	biogenic	CCAAMM
CCCn1cc(C(=O)N2CCN[C@@H](C(=O)[O-])C2)c(C)n1	ZINC000071404199	176155135	/nfs/dbraw/zinc/15/51/35/176155135.db2.gz	MYGYNHWPKCWLMK-LLVKDONJSA-N	-1	1	280.328	0.100	50	0		CCAAMM
O=C([O-])c1cncc(NC(=O)C[C@H]2COCCN2)c1	ZINC000072122366	176320082	/nfs/dbraw/zinc/32/00/82/176320082.db2.gz	XIUXDBBBYAPRLY-JTQLQIEISA-N	-1	1	265.269	0.097	50	0		CCAAMM
CC1=CC(=C2C(=O)[N-]C(=S)NC2=O)C=C(C)O1	ZINC000000125970	278493445	/nfs/dbraw/zinc/49/34/45/278493445.db2.gz	GWPFJCARNYWGJA-UHFFFAOYSA-N	-1	1	250.279	0.652	50	0		CCAAMM
Cc1cc(C)nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)[O-])n1	ZINC000097674248	301260618	/nfs/dbraw/zinc/26/06/18/301260618.db2.gz	LZOTUDFCXFSXDU-LBPRGKRZSA-N	-1	1	287.323	0.828	50	0		CCAAMM
CC(C)c1cc(CNC(=O)Cc2cc(=O)[n-][nH]c2=O)no1	ZINC000534652489	328337955	/nfs/dbraw/zinc/33/79/55/328337955.db2.gz	PVUIOWSHSXIXGV-UHFFFAOYSA-N	-1	1	292.295	0.858	50	0		CCAAMM
C[C@H]1c2cccn2CCN1C(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000067872685	525127468	/nfs/dbraw/zinc/12/74/68/525127468.db2.gz	LSBRJEDCLLPATG-VIFPVBQESA-N	-1	1	288.307	0.423	50	0		CCAAMM
[NH3+][C@@H](CCc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-]	ZINC000095642936	185017229	/nfs/dbraw/zinc/01/72/29/185017229.db2.gz	QEQAKQQRJFWPOR-JTQLQIEISA-N	-1	1	263.249	0.843	50	0		CCAAMM
CCC[C@@H](NC(=O)c1ccc(C#N)cn1)c1nn[n-]n1	ZINC000095411828	349609132	/nfs/dbraw/zinc/60/91/32/349609132.db2.gz	DJXVNSDJONNRBV-SECBINFHSA-N	-1	1	271.284	0.738	50	0		CCAAMM
COc1ccc(S(=O)(=O)N2CCC(=O)[N-]2)cc1	ZINC000001402375	347955228	/nfs/dbraw/zinc/95/52/28/347955228.db2.gz	HHNYQFMFYHHVAJ-UHFFFAOYSA-N	-1	1	256.283	0.121	50	0		CCAAMM
O=C([O-])[C@@H]1CNCCN1C(=O)OCc1ccccc1	ZINC000002539982	347968947	/nfs/dbraw/zinc/96/89/47/347968947.db2.gz	KEIDRYXLYCWVSP-NSHDSACASA-N	-1	1	264.281	0.682	50	0		CCAAMM
O=C1[N-]C(=O)[C@](O)(c2ccc3cccnc3c2O)C(=O)N1	ZINC000013718954	348029158	/nfs/dbraw/zinc/02/91/58/348029158.db2.gz	GJZCHWIYLWZQRJ-UHFFFAOYSA-N	-1	1	287.231	0.334	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C)o1	ZINC000030706252	348119882	/nfs/dbraw/zinc/11/98/82/348119882.db2.gz	QBVWQHFEXSJXGB-QMMMGPOBSA-N	-1	1	288.325	0.049	50	0		CCAAMM
CCC[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-]	ZINC000036839502	348172829	/nfs/dbraw/zinc/17/28/29/348172829.db2.gz	DUISVLDVEQMUAS-MXWKQRLJSA-N	-1	1	272.345	0.465	50	0		CCAAMM
COc1ccc(CCC(=O)NCc2nn[n-]n2)cc1	ZINC000044927020	348328253	/nfs/dbraw/zinc/32/82/53/348328253.db2.gz	SUFNQIDJVBFRNJ-UHFFFAOYSA-N	-1	1	261.285	0.457	50	0		CCAAMM
Cc1cccc(CC(=O)N2CCN(C)[C@@H](C(=O)[O-])C2)c1	ZINC000067724160	348783266	/nfs/dbraw/zinc/78/32/66/348783266.db2.gz	YJDOINOOGDMAOR-CYBMUJFWSA-N	-1	1	276.336	0.765	50	0		CCAAMM
CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccoc2)CC1	ZINC000252484879	352516824	/nfs/dbraw/zinc/51/68/24/352516824.db2.gz	GJWLHASPPICQSG-NSHDSACASA-N	-1	1	266.297	0.901	50	0		CCAAMM
COC(=O)C[C@@]1(Cc2ccccc2)C(=O)[N-]C(=O)NC1=O	ZINC000004328080	388759081	/nfs/dbraw/zinc/75/90/81/388759081.db2.gz	UWYZPUFRMOFWPY-UHFFFAOYSA-N	-1	1	290.275	0.985	50	0		CCAAMM
COC(=O)C[C@]1(Cc2ccccc2)C(=O)[N-]C(=O)NC1=O	ZINC000004328080	388759085	/nfs/dbraw/zinc/75/90/85/388759085.db2.gz	UWYZPUFRMOFWPY-UHFFFAOYSA-N	-1	1	290.275	0.985	50	0		CCAAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O	ZINC000009111623	388765722	/nfs/dbraw/zinc/76/57/22/388765722.db2.gz	IGLDQCXWNWDXGF-MLGOLLRUSA-N	-1	1	299.330	0.906	50	0	biogenic	CCAAMM
CO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC000025827406	388817445	/nfs/dbraw/zinc/81/74/45/388817445.db2.gz	MQNPJFFDCONGEN-SECBINFHSA-N	-1	1	264.281	0.726	50	0		CCAAMM
COC[C@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000027939779	388825148	/nfs/dbraw/zinc/82/51/48/388825148.db2.gz	VNZLBPVFBMJUMD-LURJTMIESA-N	-1	1	267.738	0.387	50	0		CCAAMM
Cc1noc(C)c1C(=O)N1CCc2nc[nH]c2[C@H]1C(=O)[O-]	ZINC000072477017	388965810	/nfs/dbraw/zinc/96/58/10/388965810.db2.gz	ZPQHZGYUBBKXKA-NSHDSACASA-N	-1	1	290.279	0.839	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)c1cnn(-c2ccccc2)c1	ZINC000426399309	389665416	/nfs/dbraw/zinc/66/54/16/389665416.db2.gz	YJKUIJNQVDJZCX-UHFFFAOYSA-N	-1	1	297.322	0.748	50	0		CCAAMM
Cc1cc(C(=O)NC(C)(C)c2nn[n-]n2)ns1	ZINC000444282143	389899758	/nfs/dbraw/zinc/89/97/58/389899758.db2.gz	BLHIFNNAHSBTDH-UHFFFAOYSA-N	-1	1	252.303	0.630	50	0		CCAAMM
CC1(C)Oc2ccccc2CC12C(=O)[N-]C(=O)NC2=O	ZINC000524731636	390652732	/nfs/dbraw/zinc/65/27/32/390652732.db2.gz	FQSOZVBTFJIWHR-UHFFFAOYSA-N	-1	1	274.276	0.753	50	0	biogenic	CCAAMM
CCc1cc(=O)[n-]c(SCC(=O)NCCOC)n1	ZINC000005154999	170071402	/nfs/dbraw/zinc/07/14/02/170071402.db2.gz	YGQHASOLVHDJCY-UHFFFAOYSA-N	-1	1	271.342	0.187	50	0		CCAAMM
COCCNC(=O)c1c([O-])nc2scc(C)n2c1=O	ZINC000010166670	170399399	/nfs/dbraw/zinc/39/93/99/170399399.db2.gz	ZRZGBWSNJCHGHG-UHFFFAOYSA-N	-1	1	283.309	0.146	50	0		CCAAMM
CCNC(=O)Cc1c(C)nc(-c2ccccn2)[n-]c1=O	ZINC000048766941	411664232	/nfs/dbraw/zinc/66/42/32/411664232.db2.gz	GELPKDQRGDCEBE-UHFFFAOYSA-N	-1	1	272.308	0.819	50	0		CCAAMM
CNC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccnc2)o1	ZINC000035597424	172287475	/nfs/dbraw/zinc/28/74/75/172287475.db2.gz	RMXCAGLFHRWUBO-UHFFFAOYSA-N	-1	1	295.320	0.513	50	0		CCAAMM
Cc1cccc(-c2ncc(C(=O)N3CC(O)C3)c(=O)[n-]2)c1	ZINC000082147461	544483937	/nfs/dbraw/zinc/48/39/37/544483937.db2.gz	WGTHUVLIURFAFR-UHFFFAOYSA-N	-1	1	285.303	0.562	50	0		CCAAMM
O=C1[N-]C(=S)NC1=C1C(=O)Nc2ccc(F)cc21	ZINC000100496596	280281105	/nfs/dbraw/zinc/28/11/05/280281105.db2.gz	JIUAHHYMXUZMEU-FPLPWBNLSA-N	-1	1	263.253	0.493	50	0		CCAAMM
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccco2)c1	ZINC000005603986	327564510	/nfs/dbraw/zinc/56/45/10/327564510.db2.gz	XHRKSPWIRQBKOY-UHFFFAOYSA-N	-1	1	282.277	0.885	50	0		CCAAMM
Cc1nc(CCNC(=O)c2ccc([O-])cn2)cc(=O)[nH]1	ZINC000222683453	534503006	/nfs/dbraw/zinc/50/30/06/534503006.db2.gz	IJWJSMWTVPTAMN-UHFFFAOYSA-N	-1	1	274.280	0.564	50	0		CCAAMM
CCc1noc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(C)n2)n1	ZINC000670454436	545236050	/nfs/dbraw/zinc/23/60/50/545236050.db2.gz	AELZRTDDSVCDJS-SSDOTTSWSA-N	-1	1	299.356	0.713	50	0		CCAAMM
CSCC[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)[O-]	ZINC000082246880	815295797	/nfs/dbraw/zinc/29/57/97/815295797.db2.gz	AZWGPXWNZZZXHE-IUCAKERBSA-N	-1	1	260.359	0.403	50	0		CCAAMM
CN1C[C@@H](NC(=O)c2c([O-])cccc2F)CCC1=O	ZINC000125640913	187194319	/nfs/dbraw/zinc/19/43/19/187194319.db2.gz	VDSZJXVYWXCISI-QMMMGPOBSA-N	-1	1	266.272	0.882	50	0		CCAAMM
Cn1cnnc1SCC(=O)[N-]C(=O)c1ccccc1	ZINC000000138104	347940213	/nfs/dbraw/zinc/94/02/13/347940213.db2.gz	HJWDWMYJJXKUHP-UHFFFAOYSA-N	-1	1	276.321	0.864	50	0		CCAAMM
Fc1ccc(-n2nnnc2SCc2nn[n-]n2)cc1	ZINC000013424184	348026588	/nfs/dbraw/zinc/02/65/88/348026588.db2.gz	FJENOGOVKNFKDN-UHFFFAOYSA-N	-1	1	278.276	0.607	50	0		CCAAMM
CN1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1	ZINC000019590003	348066065	/nfs/dbraw/zinc/06/60/65/348066065.db2.gz	YNZWCLBLYHODFQ-CYBMUJFWSA-N	-1	1	294.351	0.372	50	0		CCAAMM
O=C(NCCCO)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937182	348073888	/nfs/dbraw/zinc/07/38/88/348073888.db2.gz	WWLOEZIDLKLMRC-UHFFFAOYSA-N	-1	1	273.292	0.549	50	0		CCAAMM
CNC(=O)[C@@H]1CCCCN1C(=O)c1ncccc1[O-]	ZINC000042425266	348279325	/nfs/dbraw/zinc/27/93/25/348279325.db2.gz	WIRCQBGFVSQTCQ-VIFPVBQESA-N	-1	1	263.297	0.528	50	0		CCAAMM
O=C(C[C@H]1NC(=O)c2ccccc21)Nc1nnn[n-]1	ZINC000079493413	349179665	/nfs/dbraw/zinc/17/96/65/349179665.db2.gz	OOVOZOGGBPLGSW-MRVPVSSYSA-N	-1	1	258.241	0.013	50	0		CCAAMM
O=C(C[C@H]1NC(=O)c2ccccc21)Nc1nn[n-]n1	ZINC000079493413	349179667	/nfs/dbraw/zinc/17/96/67/349179667.db2.gz	OOVOZOGGBPLGSW-MRVPVSSYSA-N	-1	1	258.241	0.013	50	0		CCAAMM
CCO[C@H]1COC[C@@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000091818901	180263214	/nfs/dbraw/zinc/26/32/14/180263214.db2.gz	ASNDNHSMSGEJIM-QWRGUYRKSA-N	-1	1	293.323	0.181	50	0		CCAAMM
COc1ccc(CCS(=O)(=O)c2c[n-]nn2)cc1	ZINC000195579533	351920325	/nfs/dbraw/zinc/92/03/25/351920325.db2.gz	KOWDEMVTLFNOMV-UHFFFAOYSA-N	-1	1	267.310	0.830	50	0		CCAAMM
COc1ccc(CCS(=O)(=O)c2cn[n-]n2)cc1	ZINC000195579533	351920327	/nfs/dbraw/zinc/92/03/27/351920327.db2.gz	KOWDEMVTLFNOMV-UHFFFAOYSA-N	-1	1	267.310	0.830	50	0		CCAAMM
Cc1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1	ZINC000219912271	351970841	/nfs/dbraw/zinc/97/08/41/351970841.db2.gz	BGEGNTNDTUUTDJ-STQMWFEESA-N	-1	1	276.336	0.811	50	0		CCAAMM
O=C([O-])CC1S/C(=N/N=Cc2ccco2)NC1=O	ZINC000245266600	352317188	/nfs/dbraw/zinc/31/71/88/352317188.db2.gz	KGTHEIYDGMQSLK-SSDOTTSWSA-N	-1	1	267.266	0.676	50	0		CCAAMM
Cc1nc(C[N-]S(=O)(=O)c2cnn(C(C)C)c2)no1	ZINC000266241066	352692303	/nfs/dbraw/zinc/69/23/03/352692303.db2.gz	WDMWOTBPWKCUFH-UHFFFAOYSA-N	-1	1	285.329	0.634	50	0		CCAAMM
CCN1C[C@@H](CN(C)C(=O)c2ccc([O-])cn2)CC1=O	ZINC000299777815	354050587	/nfs/dbraw/zinc/05/05/87/354050587.db2.gz	OFZTZAMGDWRXPK-SNVBAGLBSA-N	-1	1	277.324	0.728	50	0		CCAAMM
O=S(=O)(c1ccccc1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000409421541	358111514	/nfs/dbraw/zinc/11/15/14/358111514.db2.gz	SVEWTYQRFLQEPQ-JTQLQIEISA-N	-1	1	293.352	0.768	50	0		CCAAMM
COCC[C@@H]1CN(C(=O)c2cncc([O-])c2)CCO1	ZINC000584886457	359226318	/nfs/dbraw/zinc/22/63/18/359226318.db2.gz	VHQRBKKEKLKOSF-GFCCVEGCSA-N	-1	1	266.297	0.665	50	0		CCAAMM
CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC000095139639	389041586	/nfs/dbraw/zinc/04/15/86/389041586.db2.gz	QQLMQFGGRRFIIA-SSDOTTSWSA-N	-1	1	255.278	0.508	50	0		CCAAMM
O=C1NC(=O)C(=C([O-])c2cccc(-n3cccc3)c2)C(=O)N1	ZINC000103501947	397407401	/nfs/dbraw/zinc/40/74/01/397407401.db2.gz	OHJPTLPGIOUYPV-UHFFFAOYSA-N	-1	1	297.270	0.642	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)NCc2ccccc2)n1	ZINC000006995445	170260718	/nfs/dbraw/zinc/26/07/18/170260718.db2.gz	JLMIHVQCGCEMAH-UHFFFAOYSA-N	-1	1	290.348	0.761	50	0		CCAAMM
CC[C@H](CO)NC(=O)c1c([O-])nc2scc(C)n2c1=O	ZINC000010166682	170399858	/nfs/dbraw/zinc/39/98/58/170399858.db2.gz	AVRLHMRMFMJEPS-SSDOTTSWSA-N	-1	1	297.336	0.271	50	0		CCAAMM
O=C([O-])CN1CCN(C(=O)C2CCCCC2)CC1	ZINC000020180518	171044600	/nfs/dbraw/zinc/04/46/00/171044600.db2.gz	QNRJVQZKOCGUKD-UHFFFAOYSA-N	-1	1	254.330	0.796	50	0		CCAAMM
O=C([O-])[C@@]1(NC(=O)c2ccc3[nH]nnc3c2)CCSC1	ZINC000043509560	175059959	/nfs/dbraw/zinc/05/99/59/175059959.db2.gz	MGJDYJPXNMVUAO-GFCCVEGCSA-N	-1	1	292.320	0.648	50	0		CCAAMM
CCN1c2ccccc2/C(=C2/NC(=S)[N-]C2=O)C1=O	ZINC000100192068	276254681	/nfs/dbraw/zinc/25/46/81/276254681.db2.gz	QGGGVCILGXYGCV-KTKRTIGZSA-N	-1	1	273.317	0.769	50	0		CCAAMM
CC1(C)CN=C(N2CCN(CCC(=O)[O-])CC2)S1	ZINC000072324037	278348021	/nfs/dbraw/zinc/34/80/21/278348021.db2.gz	TXBHZBPQHOPYHJ-UHFFFAOYSA-N	-1	1	271.386	0.960	50	0		CCAAMM
CC(C)CCC1(CCO)C(=O)[N-]C(=S)NC1=O	ZINC000005453849	278749856	/nfs/dbraw/zinc/74/98/56/278749856.db2.gz	ODBYBGYTXPHFFZ-UHFFFAOYSA-N	-1	1	258.343	0.322	50	0		CCAAMM
CCc1ccc2c(c1)c([O-])c(C(=O)c1nn[nH]n1)c(=O)n2C	ZINC000008828902	288576204	/nfs/dbraw/zinc/57/62/04/288576204.db2.gz	FBPRBLCSFXKZQD-UHFFFAOYSA-N	-1	1	299.290	0.551	50	0		CCAAMM
COc1ccc(OC)c2[nH]c(C(=O)Nc3nn[n-]n3)cc21	ZINC000096116860	185101481	/nfs/dbraw/zinc/10/14/81/185101481.db2.gz	FMBWZHHEFPWNJJ-UHFFFAOYSA-N	-1	1	288.267	0.951	50	0		CCAAMM
CCC[C@H](NC(=O)c1ccc(C#N)cn1)c1nn[n-]n1	ZINC000095411827	349609104	/nfs/dbraw/zinc/60/91/04/349609104.db2.gz	DJXVNSDJONNRBV-VIFPVBQESA-N	-1	1	271.284	0.738	50	0		CCAAMM
O=C([O-])COc1ccc(CN2CC[C@H](O)[C@@H](O)C2)cc1	ZINC000097334157	349638104	/nfs/dbraw/zinc/63/81/04/349638104.db2.gz	RLKLITGHQQYDCG-STQMWFEESA-N	-1	1	281.308	0.078	50	0		CCAAMM
CCN(Cc1cccc(C(=O)[O-])n1)[C@H]1COC[C@@H]1O	ZINC000097797345	349648017	/nfs/dbraw/zinc/64/80/17/349648017.db2.gz	LQTFCHWFVUGCFM-RYUDHWBXSA-N	-1	1	266.297	0.361	50	0		CCAAMM
Cc1c(-c2ccccc2)n[nH]c1C(=O)NCc1nn[n-]n1	ZINC000097572159	349643242	/nfs/dbraw/zinc/64/32/42/349643242.db2.gz	YKOFTDZQOKIGGV-UHFFFAOYSA-N	-1	1	283.295	0.828	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CNC(=O)Cc1cn(C)c2ccccc12	ZINC000101917678	349672101	/nfs/dbraw/zinc/67/21/01/349672101.db2.gz	ASYHCLKUURXTST-ZDUSSCGKSA-N	-1	1	298.346	0.959	50	0		CCAAMM
Cn1c(Cc2nc(-c3cnccn3)no2)n[n-]c1=S	ZINC000000161550	347940801	/nfs/dbraw/zinc/94/08/01/347940801.db2.gz	FLBYNUINSCARIO-UHFFFAOYSA-N	-1	1	275.297	0.908	50	0		CCAAMM
CCOC(=O)[C@]1(O)CC(C)=NN1C(=O)c1ccccc1[O-]	ZINC000001030807	347952117	/nfs/dbraw/zinc/95/21/17/347952117.db2.gz	DCQYMHUCWPQYDG-CQSZACIVSA-N	-1	1	292.291	0.866	50	0		CCAAMM
Cc1ccc(C(=O)[N-]C(=O)CSc2nc(N)n[nH]2)cc1	ZINC000005615240	348002575	/nfs/dbraw/zinc/00/25/75/348002575.db2.gz	NOEIIZYFMFWRDR-UHFFFAOYSA-N	-1	1	291.336	0.744	50	0		CCAAMM
O=c1[n-]c(=O)n(S(=O)(=O)c2ccc(F)cc2)cc1F	ZINC000003426811	347983171	/nfs/dbraw/zinc/98/31/71/347983171.db2.gz	PISOOARDNWUYDG-UHFFFAOYSA-N	-1	1	288.231	0.052	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)o1	ZINC000065412477	348714525	/nfs/dbraw/zinc/71/45/25/348714525.db2.gz	WYQOUPIJLZXPNB-QMMMGPOBSA-N	-1	1	288.325	0.097	50	0		CCAAMM
C[C@H](CN1CCCC1=O)NC(=O)c1ncccc1[O-]	ZINC000069452297	348845750	/nfs/dbraw/zinc/84/57/50/348845750.db2.gz	VOLBMDQGTIPFKR-SECBINFHSA-N	-1	1	263.297	0.528	50	0		CCAAMM
CC(C)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)n[nH]1	ZINC000071763120	348910945	/nfs/dbraw/zinc/91/09/45/348910945.db2.gz	BXJCIYWIYSJPAV-UHFFFAOYSA-N	-1	1	281.312	0.585	50	0		CCAAMM
O=C([O-])c1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000004176574	304244210	/nfs/dbraw/zinc/24/42/10/304244210.db2.gz	MOJLIMGDPWKZAO-LLVKDONJSA-N	-1	1	269.322	0.662	50	0		CCAAMM
CSCC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-]	ZINC000037431241	388846168	/nfs/dbraw/zinc/84/61/68/388846168.db2.gz	UJNNELASOOMKJC-SECBINFHSA-N	-1	1	294.336	0.894	50	0		CCAAMM
Cc1nn2c(nc(C)cc2NCc2nn[n-]n2)c1C	ZINC000072418453	388962355	/nfs/dbraw/zinc/96/23/55/388962355.db2.gz	ZQRDEFQTZRTEFB-UHFFFAOYSA-N	-1	1	258.289	0.780	50	0		CCAAMM
CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)COC)n[n-]1	ZINC000408515231	389372917	/nfs/dbraw/zinc/37/29/17/389372917.db2.gz	LBARUQCXSAOUHY-VIFPVBQESA-N	-1	1	298.343	0.831	50	0		CCAAMM
CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)COC)[n-]1	ZINC000408515231	389372920	/nfs/dbraw/zinc/37/29/20/389372920.db2.gz	LBARUQCXSAOUHY-VIFPVBQESA-N	-1	1	298.343	0.831	50	0		CCAAMM
CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)COC)n1	ZINC000408515231	389372924	/nfs/dbraw/zinc/37/29/24/389372924.db2.gz	LBARUQCXSAOUHY-VIFPVBQESA-N	-1	1	298.343	0.831	50	0		CCAAMM
C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCCC1	ZINC000426441726	389667667	/nfs/dbraw/zinc/66/76/67/389667667.db2.gz	GYGRCZWDXJHJKG-QMMMGPOBSA-N	-1	1	253.306	0.001	50	0		CCAAMM
Cc1cccc2nc(COCC(=O)N[C@H](C)C(=O)[O-])[nH]c21	ZINC000426734139	389677958	/nfs/dbraw/zinc/67/79/58/389677958.db2.gz	QJDSSAPLMHGOHN-SECBINFHSA-N	-1	1	291.307	0.977	50	0		CCAAMM
COc1cccc(-n2nc(C(N)=O)c(=O)cc2[O-])c1	ZINC000005704064	170130964	/nfs/dbraw/zinc/13/09/64/170130964.db2.gz	YLJJNYJSVGZYNL-UHFFFAOYSA-N	-1	1	261.237	0.046	50	0		CCAAMM
COc1ccc(C(=O)Nc2cc(=O)nc3[n-]cnn32)cc1	ZINC000009348679	170373684	/nfs/dbraw/zinc/37/36/84/170373684.db2.gz	WARVLQYNOPHMGK-UHFFFAOYSA-N	-1	1	285.263	0.679	50	0		CCAAMM
Cc1csc(NC(=O)CSc2nc(N)cc(=O)[n-]2)n1	ZINC000009668062	170384004	/nfs/dbraw/zinc/38/40/04/170384004.db2.gz	QRWWLYBKIHDCRE-UHFFFAOYSA-N	-1	1	297.365	0.848	50	0		CCAAMM
CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC(N)=O)n1	ZINC000011443439	170418542	/nfs/dbraw/zinc/41/85/42/170418542.db2.gz	LXIHLEGTLVEZMQ-ZCFIWIBFSA-N	-1	1	284.341	0.398	50	0		CCAAMM
CN(Cc1nnc[nH]1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000653289392	412281808	/nfs/dbraw/zinc/28/18/08/412281808.db2.gz	RIYCGVKRBJTNLF-GFCCVEGCSA-N	-1	1	264.285	0.574	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)o1	ZINC000032646596	171741850	/nfs/dbraw/zinc/74/18/50/171741850.db2.gz	BTVLNPUJDZFPAB-UHFFFAOYSA-N	-1	1	295.320	0.513	50	0		CCAAMM
O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1	ZINC000037435453	173206689	/nfs/dbraw/zinc/20/66/89/173206689.db2.gz	WRSGXPIZEUMBGG-JTQLQIEISA-N	-1	1	260.253	0.647	50	0		CCAAMM
O=C(Cn1ccccc1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000040493742	174293357	/nfs/dbraw/zinc/29/33/57/174293357.db2.gz	XSEXRHZUMQTZMQ-UHFFFAOYSA-N	-1	1	287.201	0.624	50	0		CCAAMM
COCC(C)(C)CNC(=O)Cc1c(C)[n-][nH]c1=O	ZINC000534676037	328356155	/nfs/dbraw/zinc/35/61/55/328356155.db2.gz	OJXCHEVLPJPGBW-UHFFFAOYSA-N	-1	1	255.318	0.755	50	0		CCAAMM
COCc1nc(-c2nc3c([n-]2)CCCNC3=O)no1	ZINC000095510899	185001805	/nfs/dbraw/zinc/00/18/05/185001805.db2.gz	FTDSJCNRIIROQY-UHFFFAOYSA-N	-1	1	263.257	0.282	50	0		CCAAMM
COCc1nc(-c2nc3c([n-]2)C(=O)NCCC3)no1	ZINC000095510899	185001806	/nfs/dbraw/zinc/00/18/06/185001806.db2.gz	FTDSJCNRIIROQY-UHFFFAOYSA-N	-1	1	263.257	0.282	50	0		CCAAMM
C[C@@H](CN(C)C(=O)COc1ccccc1)c1nn[n-]n1	ZINC000095243124	349597644	/nfs/dbraw/zinc/59/76/44/349597644.db2.gz	GMORUXIWFQKWNB-JTQLQIEISA-N	-1	1	275.312	0.841	50	0		CCAAMM
O=c1cc(CCc2n[nH]c([C@H]3CCOC3)n2)o[n-]1	ZINC000097784961	349647984	/nfs/dbraw/zinc/64/79/84/349647984.db2.gz	JFZJTPLFCAUSIQ-ZETCQYMHSA-N	-1	1	250.258	0.787	50	0		CCAAMM
O=c1cc(CCc2nc([C@H]3CCOC3)n[nH]2)o[n-]1	ZINC000097784961	349647986	/nfs/dbraw/zinc/64/79/86/349647986.db2.gz	JFZJTPLFCAUSIQ-ZETCQYMHSA-N	-1	1	250.258	0.787	50	0		CCAAMM
O=C1CCCN1CC[P@](=O)([O-])CN1CCCC1=O	ZINC000000036739	347936697	/nfs/dbraw/zinc/93/66/97/347936697.db2.gz	GOALDAFNAGBEDH-UHFFFAOYSA-N	-1	1	274.257	0.459	50	0		CCAAMM
Cc1occc1C(=O)[N-]N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O	ZINC000002108530	347965076	/nfs/dbraw/zinc/96/50/76/347965076.db2.gz	IXLCLBNAMNDOBU-DTIDVZRVSA-N	-1	1	290.275	0.395	50	0		CCAAMM
O=C([O-])COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1	ZINC000002788646	347972958	/nfs/dbraw/zinc/97/29/58/347972958.db2.gz	ZXOHIHGUNPSEOF-ONGXEEELSA-N	-1	1	283.305	0.938	50	0		CCAAMM
CCOC(=O)N(CCCC(=O)OC)C[P@](=O)([O-])O	ZINC000002904317	347974972	/nfs/dbraw/zinc/97/49/72/347974972.db2.gz	BLDYDIKZGZAGJU-UHFFFAOYSA-N	-1	1	283.217	0.533	50	0		CCAAMM
CCOC(=O)[C@@]([O-])(NC(=O)c1ccncc1)C(F)(F)F	ZINC000003668056	347985312	/nfs/dbraw/zinc/98/53/12/347985312.db2.gz	DCDHOPQGIBUGMV-JTQLQIEISA-N	-1	1	292.213	0.625	50	0		CCAAMM
O=[P@@]([O-])(CN1CCOCC1)[C@H]1CCCC[C@H]1O	ZINC000019730788	348068221	/nfs/dbraw/zinc/06/82/21/348068221.db2.gz	GQOFMOILUKYYEW-MNOVXSKESA-N	-1	1	263.274	0.850	50	0		CCAAMM
CCOC(=O)c1cnc(NCCSC)[n-]c1=O	ZINC000019926637	348073761	/nfs/dbraw/zinc/07/37/61/348073761.db2.gz	WKYDXYSFOGGFAZ-UHFFFAOYSA-N	-1	1	257.315	0.722	50	0		CCAAMM
C[C@@H]1CN(C(=O)CSc2nc(N)cc(=O)[n-]2)C[C@@H](C)O1	ZINC000016039464	348044204	/nfs/dbraw/zinc/04/42/04/348044204.db2.gz	WDJUNOJXIAAGMD-HTQZYQBOSA-N	-1	1	298.368	0.080	50	0		CCAAMM
CC(=O)N[C@H](C(Cl)(Cl)Cl)[P@](=O)([O-])O	ZINC000027023668	348096538	/nfs/dbraw/zinc/09/65/38/348096538.db2.gz	OZMCKSGKGHEMGG-VKHMYHEASA-N	-1	1	270.436	0.997	50	0		CCAAMM
Cc1cccc(-n2c(Cc3nn[n-]n3)n[nH]c2=O)c1C	ZINC000065384849	348712426	/nfs/dbraw/zinc/71/24/26/348712426.db2.gz	LYYWGEXSHAAWIY-UHFFFAOYSA-N	-1	1	271.284	0.281	50	0		CCAAMM
CCn1c(CCNC(=O)[C@@H](C)OC)n[n-]c1=S	ZINC000067077352	348766436	/nfs/dbraw/zinc/76/64/36/348766436.db2.gz	KXBJHXVSQQEAFB-SSDOTTSWSA-N	-1	1	258.347	0.654	50	0		CCAAMM
CCOc1cccc(C(=O)N[C@H](C)c2nc(=O)[n-][nH]2)c1	ZINC000215688234	351937628	/nfs/dbraw/zinc/93/76/28/351937628.db2.gz	GQVLKBGRVCVQQO-MRVPVSSYSA-N	-1	1	276.296	0.988	50	0		CCAAMM
O=C([O-])CN1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC000219370668	351967582	/nfs/dbraw/zinc/96/75/82/351967582.db2.gz	ACKDLSWWFAWDGN-ZDUSSCGKSA-N	-1	1	265.313	0.617	50	0		CCAAMM
O=C(c1ccon1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000407999782	357859637	/nfs/dbraw/zinc/85/96/37/357859637.db2.gz	VUGOQAKTUHTZGQ-SSDOTTSWSA-N	-1	1	264.241	0.783	50	0		CCAAMM
O=C([O-])C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1	ZINC000001926518	304082242	/nfs/dbraw/zinc/08/22/42/304082242.db2.gz	CVVHUAIMEICGSA-ZDUSSCGKSA-N	-1	1	274.320	0.429	50	0		CCAAMM
COC(=O)[C@@]([O-])(NC(=O)c1ccco1)C(F)(F)F	ZINC000004785700	284225576	/nfs/dbraw/zinc/22/55/76/284225576.db2.gz	INVLDUQKLFUXBX-QMMMGPOBSA-N	-1	1	267.159	0.433	50	0		CCAAMM
O=C1[N-]C(=S)NC1=Cc1ccc2c(c1)OCCO2	ZINC000014128954	296359443	/nfs/dbraw/zinc/35/94/43/296359443.db2.gz	YTXJHJQADGDTLI-YVMONPNESA-N	-1	1	262.290	0.803	50	0		CCAAMM
CC(=O)N1CCN(c2nc3c(c(=O)[n-]2)CCCC3)CC1	ZINC000011903445	388777230	/nfs/dbraw/zinc/77/72/30/388777230.db2.gz	UJDWLPQTGUGUOH-UHFFFAOYSA-N	-1	1	276.340	0.317	50	0		CCAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC)n1	ZINC000026423771	388822252	/nfs/dbraw/zinc/82/22/52/388822252.db2.gz	ZNRDJQXNHCOGRJ-ZETCQYMHSA-N	-1	1	255.343	0.949	50	0		CCAAMM
CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)[O-]	ZINC000078931378	388991708	/nfs/dbraw/zinc/99/17/08/388991708.db2.gz	LPPGBMFPKZYBQF-QWHCGFSZSA-N	-1	1	276.336	0.893	50	0	biogenic,in-vitro	CCAAMM
O=C([O-])/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000209189250	389131355	/nfs/dbraw/zinc/13/13/55/389131355.db2.gz	ROENVOKFBNPTEB-ARJAWSKDSA-N	-1	1	252.182	0.880	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)c1cc(C2CC2)n[nH]1	ZINC000426493943	389669400	/nfs/dbraw/zinc/66/94/00/389669400.db2.gz	FITRMIVPIUZSEU-UHFFFAOYSA-N	-1	1	261.289	0.163	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)N2CCCCC2)n1	ZINC000005042673	170059742	/nfs/dbraw/zinc/05/97/42/170059742.db2.gz	HYOPRFPLUIDYHX-UHFFFAOYSA-N	-1	1	268.342	0.457	50	0		CCAAMM
O=C(c1ccc(S(=O)(=O)[N-]C2CC2)o1)N1CCCC1	ZINC000035597404	172287487	/nfs/dbraw/zinc/28/74/87/172287487.db2.gz	QYDAMLGVPJZPLI-UHFFFAOYSA-N	-1	1	284.337	0.956	50	0		CCAAMM
O=C([O-])[C@H]1CN(C(=O)c2cc3sccc3[nH]2)CCN1	ZINC000071416218	176160302	/nfs/dbraw/zinc/16/03/02/176160302.db2.gz	UFAZCTIEJRSJSO-SECBINFHSA-N	-1	1	279.321	0.728	50	0		CCAAMM
CC(Nc1ccccc1)=C1C(=O)[N-]C(=S)NC1=O	ZINC000005562071	278162269	/nfs/dbraw/zinc/16/22/69/278162269.db2.gz	QTEXVINPSNITOI-UHFFFAOYSA-N	-1	1	261.306	0.903	50	0		CCAAMM
O=C(c1nn(-c2ccccc2)cc1[O-])N1CCNCC1	ZINC000238161226	518202283	/nfs/dbraw/zinc/20/22/83/518202283.db2.gz	OVLUFAAIMUCLIL-UHFFFAOYSA-N	-1	1	272.308	0.623	50	0		CCAAMM
Cc1nc(N)nc(N[C@H]2CCCOC2)c1CCC(=O)[O-]	ZINC000095366863	649755729	/nfs/dbraw/zinc/75/57/29/649755729.db2.gz	UCMBECCTCQHTGL-VIFPVBQESA-N	-1	1	280.328	0.975	50	0		CCAAMM
O=C([O-])CCNC(=O)NCc1nc2ccc(F)cc2[nH]1	ZINC000828032264	821723816	/nfs/dbraw/zinc/72/38/16/821723816.db2.gz	MRKODLLNYJNYMU-UHFFFAOYSA-N	-1	1	280.259	0.976	50	0		CCAAMM
CC(=O)NCCC(=O)Nc1ccc(Oc2nnn[n-]2)cc1	ZINC000828054163	821724789	/nfs/dbraw/zinc/72/47/89/821724789.db2.gz	ITAONDOPRSRISA-UHFFFAOYSA-N	-1	1	290.283	0.457	50	0		CCAAMM
CC(=O)NCCC(=O)Nc1ccc(Oc2nn[n-]n2)cc1	ZINC000828054163	821724796	/nfs/dbraw/zinc/72/47/96/821724796.db2.gz	ITAONDOPRSRISA-UHFFFAOYSA-N	-1	1	290.283	0.457	50	0		CCAAMM
Cc1cc(C)n(CCCC(=O)N2CCN[C@H](C(=O)[O-])C2)n1	ZINC000071750996	854006529	/nfs/dbraw/zinc/00/65/29/854006529.db2.gz	LFTYRCDUAXXKAO-LBPRGKRZSA-N	-1	1	294.355	0.165	50	0		CCAAMM
C[C@@]1(CO)CCCN(Cc2cnn(CCC(=O)[O-])c2)C1	ZINC000097745024	349646498	/nfs/dbraw/zinc/64/64/98/349646498.db2.gz	WOAWFUVTMCLLOD-CQSZACIVSA-N	-1	1	281.356	0.952	50	0		CCAAMM
O=C1[N-]C(=S)NC1=Cc1cnc(N2CCOCC2)s1	ZINC000004038400	347987976	/nfs/dbraw/zinc/98/79/76/347987976.db2.gz	VMCNYPWVHVRVIN-VMPITWQZSA-N	-1	1	296.377	0.325	50	0		CCAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NC[C@H](C)O	ZINC000012895638	348023129	/nfs/dbraw/zinc/02/31/29/348023129.db2.gz	DXNNTUQHYQEUHX-QMMMGPOBSA-N	-1	1	291.303	0.847	50	0	biogenic	CCAAMM
O=[P@@]([O-])(CN1CCOCC1)[C@@H]1CCCC[C@@H]1O	ZINC000019730794	348068234	/nfs/dbraw/zinc/06/82/34/348068234.db2.gz	GQOFMOILUKYYEW-WDEREUQCSA-N	-1	1	263.274	0.850	50	0		CCAAMM
CCCNC(=O)c1c([O-])nc2sccn2c1=O	ZINC000016689982	348049641	/nfs/dbraw/zinc/04/96/41/348049641.db2.gz	UIFWXJCIRRFTQS-UHFFFAOYSA-N	-1	1	253.283	0.601	50	0		CCAAMM
O=C([N-]N1CC(=O)NC1=O)c1cc(-c2ccccc2)[nH]n1	ZINC000029019305	348110371	/nfs/dbraw/zinc/11/03/71/348110371.db2.gz	OQKORAJQGPZYRE-UHFFFAOYSA-N	-1	1	285.263	0.273	50	0		CCAAMM
O=C(NN1CC(=O)[N-]C1=O)c1cc(-c2ccccc2)n[nH]1	ZINC000029019305	348110376	/nfs/dbraw/zinc/11/03/76/348110376.db2.gz	OQKORAJQGPZYRE-UHFFFAOYSA-N	-1	1	285.263	0.273	50	0		CCAAMM
O=C(NN1CC(=O)[N-]C1=O)[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000029023661	348110428	/nfs/dbraw/zinc/11/04/28/348110428.db2.gz	ZIFJULCBRXVPRW-VHSXEESVSA-N	-1	1	277.255	0.512	50	0		CCAAMM
O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(=O)[nH]c1	ZINC000066637617	348751056	/nfs/dbraw/zinc/75/10/56/348751056.db2.gz	OOYMJBUPRGSAHR-UHFFFAOYSA-N	-1	1	291.336	0.894	50	0		CCAAMM
COc1ccc(-n2nnc(C(=O)[N-]c3ccon3)n2)cc1	ZINC000075163488	349025509	/nfs/dbraw/zinc/02/55/09/349025509.db2.gz	YEHJBGDMBOUXET-UHFFFAOYSA-N	-1	1	286.251	0.911	50	0		CCAAMM
C[C@@H](NC(=O)Cn1ncc2ccccc21)c1nc(=O)[n-][nH]1	ZINC000215124449	351934202	/nfs/dbraw/zinc/93/42/02/351934202.db2.gz	FXTGNDZHBAUQKC-MRVPVSSYSA-N	-1	1	286.295	0.325	50	0		CCAAMM
Cn1nc(-c2ccccc2)cc1C(=O)NCc1nn[n-]n1	ZINC000215337028	351934780	/nfs/dbraw/zinc/93/47/80/351934780.db2.gz	RJFBNVMDUCJFLH-UHFFFAOYSA-N	-1	1	283.295	0.530	50	0		CCAAMM
C[C@@H]1C[C@H](C)C(=O)C(C(=O)CC2CC(=O)NC(=O)C2)=C1[O-]	ZINC000239309792	352303386	/nfs/dbraw/zinc/30/33/86/352303386.db2.gz	HVVJIIFHRADPPT-BWPRHRIFSA-N	-1	1	293.319	0.429	50	0		CCAAMM
C[C@@H]1C[C@H](C)C([O-])=C(C(=O)CC2CC(=O)NC(=O)C2)C1=O	ZINC000239309792	352303392	/nfs/dbraw/zinc/30/33/92/352303392.db2.gz	HVVJIIFHRADPPT-BWPRHRIFSA-N	-1	1	293.319	0.429	50	0		CCAAMM
Cn1[n-]c(CN2CCC[C@H](C(F)(F)F)C2)nc1=O	ZINC000336395961	213253438	/nfs/dbraw/zinc/25/34/38/213253438.db2.gz	LAJCXZBDUULMKC-ZETCQYMHSA-N	-1	1	264.251	0.883	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)c1[nH]nc2ccccc21	ZINC000392574279	357749197	/nfs/dbraw/zinc/74/91/97/357749197.db2.gz	GZAMQHWKFIRVQC-UHFFFAOYSA-N	-1	1	271.284	0.439	50	0		CCAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1Cc1cscn1	ZINC000095526753	304153681	/nfs/dbraw/zinc/15/36/81/304153681.db2.gz	RZFJSOZFWNRWHW-JTQLQIEISA-N	-1	1	264.310	0.878	50	0		CCAAMM
COc1ccc([C@@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)cc1	ZINC000011330434	388770874	/nfs/dbraw/zinc/77/08/74/388770874.db2.gz	GYJZSOZJOMUDOZ-VIFPVBQESA-N	-1	1	286.291	0.835	50	0		CCAAMM
CCc1cnc(N2CC[N@@H+](C)[C@H](C(=O)[O-])C2)nc1	ZINC000067879539	388947530	/nfs/dbraw/zinc/94/75/30/388947530.db2.gz	UFUYATLAKXQIAY-JTQLQIEISA-N	-1	1	250.302	0.244	50	0		CCAAMM
CC(C)c1nc(=NC[C@@H]2CCCCS2(=O)=O)o[n-]1	ZINC000329631053	389179345	/nfs/dbraw/zinc/17/93/45/389179345.db2.gz	ICDNEDKTWXVAFW-VIFPVBQESA-N	-1	1	273.358	0.994	50	0		CCAAMM
O=C(NCc1nn[n-]n1)c1cc(=O)[nH]c2cc(F)ccc21	ZINC000426544561	389671888	/nfs/dbraw/zinc/67/18/88/389671888.db2.gz	XKINZRICRVSJDP-UHFFFAOYSA-N	-1	1	288.242	0.523	50	0		CCAAMM
C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000585139522	390358574	/nfs/dbraw/zinc/35/85/74/390358574.db2.gz	MTAJESUVSALDRF-NOZJJQNGSA-N	-1	1	265.313	0.912	50	0		CCAAMM
COC(=O)[C@@]([O-])(NC(=O)c1ccccc1F)C(F)(F)F	ZINC000002311815	169785159	/nfs/dbraw/zinc/78/51/59/169785159.db2.gz	NYPBARIZRPQQCT-JTQLQIEISA-N	-1	1	295.188	0.979	50	0		CCAAMM
COC[C@@H](C)NC(=O)c1c([O-])nc2scc(C)n2c1=O	ZINC000010166685	170399512	/nfs/dbraw/zinc/39/95/12/170399512.db2.gz	FGWPAWGRJAKGCP-ZCFIWIBFSA-N	-1	1	297.336	0.535	50	0		CCAAMM
COc1ccc(C(=O)N2CCN([C@H](C)C(=O)[O-])CC2)cc1	ZINC000020180682	171045052	/nfs/dbraw/zinc/04/50/52/171045052.db2.gz	GCTYGNVUMIVVQT-LLVKDONJSA-N	-1	1	292.335	0.926	50	0		CCAAMM
C[C@H](CN(C)c1cc(-n2cccn2)nc(N)n1)C(=O)[O-]	ZINC000263554849	544944096	/nfs/dbraw/zinc/94/40/96/544944096.db2.gz	NPPTVPNZMZPMSK-MRVPVSSYSA-N	-1	1	276.300	0.401	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CC(=O)NCc1noc(C2CC2)n1	ZINC000534651726	328337359	/nfs/dbraw/zinc/33/73/59/328337359.db2.gz	YUFILMKQTNXOSR-UHFFFAOYSA-N	-1	1	277.284	0.543	50	0		CCAAMM
COC(=O)[C@@]([O-])(NC(=O)c1ccccc1)C(F)(F)F	ZINC000002257412	347966188	/nfs/dbraw/zinc/96/61/88/347966188.db2.gz	ZMIGOCAYOHUNFN-JTQLQIEISA-N	-1	1	277.198	0.840	50	0		CCAAMM
Cc1nonc1NC(=O)CSc1nc(C)cc(=O)[n-]1	ZINC000013566590	348026944	/nfs/dbraw/zinc/02/69/44/348026944.db2.gz	JWXDWVLGIVNAJW-UHFFFAOYSA-N	-1	1	281.297	0.501	50	0		CCAAMM
NC(=O)CCc1n[n-]c(=S)n1C[C@@H]1CCCO1	ZINC000014093433	348032140	/nfs/dbraw/zinc/03/21/40/348032140.db2.gz	PFSWSBBXRMEJGE-ZETCQYMHSA-N	-1	1	256.331	0.538	50	0		CCAAMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccco1	ZINC000015862606	348043285	/nfs/dbraw/zinc/04/32/85/348043285.db2.gz	DZYLJVORCLHRFX-UHFFFAOYSA-N	-1	1	299.308	0.658	50	0		CCAAMM
O=C([O-])c1ccc(CN2CCN(CCO)CC2)cc1	ZINC000019201154	348057953	/nfs/dbraw/zinc/05/79/53/348057953.db2.gz	ZDFVKANPVGUALI-UHFFFAOYSA-N	-1	1	264.325	0.495	50	0		CCAAMM
CC(=O)N1CCN(CC(=O)c2ccc([O-])cc2)CC1	ZINC000035021619	348154050	/nfs/dbraw/zinc/15/40/50/348154050.db2.gz	RVCFIWHQTARHGP-UHFFFAOYSA-N	-1	1	262.309	0.739	50	0		CCAAMM
COc1ccc(-c2cc(C(=O)NCc3nn[n-]n3)[nH]n2)cc1	ZINC000091519395	180177998	/nfs/dbraw/zinc/17/79/98/180177998.db2.gz	SZBVBPYNZJDRNJ-UHFFFAOYSA-N	-1	1	299.294	0.528	50	0		CCAAMM
O=C(NC1(c2nn[n-]n2)CC1)c1cc[nH]c1C1CC1	ZINC000355027498	356553062	/nfs/dbraw/zinc/55/30/62/356553062.db2.gz	CXYADCYNHLLVPM-UHFFFAOYSA-N	-1	1	258.285	0.824	50	0		CCAAMM
Cc1nc2ccc(C)cn2c1C(=O)NCCCc1nn[n-]n1	ZINC000426428013	389666789	/nfs/dbraw/zinc/66/67/89/389666789.db2.gz	MHUFGXAMQQROQE-UHFFFAOYSA-N	-1	1	299.338	0.827	50	0		CCAAMM
COc1ccc(OC)c(CNc2c([O-])c(=O)c2=O)c1	ZINC000102514661	397405526	/nfs/dbraw/zinc/40/55/26/397405526.db2.gz	LXRZZGDKCJGKDI-UHFFFAOYSA-N	-1	1	263.249	0.618	50	0		CCAAMM
FC(F)(F)c1ccc(-c2nnn(Cc3nn[n-]n3)n2)cc1	ZINC000004753766	170012034	/nfs/dbraw/zinc/01/20/34/170012034.db2.gz	GVCYOLZARYQHFI-UHFFFAOYSA-N	-1	1	296.216	0.920	50	0		CCAAMM
CC(C)c1noc(CN2CCN(CCC(=O)[O-])CC2)n1	ZINC000035687134	172354446	/nfs/dbraw/zinc/35/44/46/172354446.db2.gz	XFUGBQGVRJZIOR-UHFFFAOYSA-N	-1	1	282.344	0.785	50	0		CCAAMM
CC(C)(C)SCCNC(=O)NCc1nn[n-]n1	ZINC000534662172	328349994	/nfs/dbraw/zinc/34/99/94/328349994.db2.gz	QDIOXJXQFPFTKT-UHFFFAOYSA-N	-1	1	258.351	0.531	50	0		CCAAMM
CCS(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21	ZINC000169984630	615340410	/nfs/dbraw/zinc/34/04/10/615340410.db2.gz	KZDHPEIUEXFIRY-UHFFFAOYSA-N	-1	1	253.283	0.642	50	0		CCAAMM
Cn1ncc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)n1	ZINC000952881440	841585463	/nfs/dbraw/zinc/58/54/63/841585463.db2.gz	RKYAROUXDLAIBB-LLVKDONJSA-N	-1	1	296.327	0.920	50	0		CCAAMM
O=C1[N-][C@@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)N1	ZINC000095917878	349615480	/nfs/dbraw/zinc/61/54/80/349615480.db2.gz	ADRWILLWLBACGF-IMJSIDKUSA-N	-1	1	268.113	0.191	50	0		CCAAMM
CN(Cc1ccc(OCC(=O)[O-])cc1)[C@H]1COC[C@@H]1O	ZINC000097475462	349642312	/nfs/dbraw/zinc/64/23/12/349642312.db2.gz	ZHGSMJJDNXTRKL-STQMWFEESA-N	-1	1	281.308	0.342	50	0		CCAAMM
COC(=O)Cc1c(C)nc2nc(C(F)(F)F)[n-]n2c1=O	ZINC000100021611	349655143	/nfs/dbraw/zinc/65/51/43/349655143.db2.gz	QXLBLBRMVXXTBP-UHFFFAOYSA-N	-1	1	290.201	0.460	50	0		CCAAMM
Cc1noc(C)c1[N-]C(=O)c1nc2ncccn2n1	ZINC000002808828	347973985	/nfs/dbraw/zinc/97/39/85/347973985.db2.gz	OTEAJPOYFTVNHX-UHFFFAOYSA-N	-1	1	258.241	0.981	50	0		CCAAMM
O=C(NN1CC(=O)[N-]C1=O)c1ccc2c(c1)CCC2	ZINC000029018844	348109196	/nfs/dbraw/zinc/10/91/96/348109196.db2.gz	HDSNUQHIMJMDBV-UHFFFAOYSA-N	-1	1	259.265	0.372	50	0		CCAAMM
Cc1c2nc(SCC(=O)N(C)C)[n-]c(=O)c2nn1C	ZINC000057355756	348607810	/nfs/dbraw/zinc/60/78/10/348607810.db2.gz	XRKSNTACYRNUJX-UHFFFAOYSA-N	-1	1	281.341	0.558	50	0		CCAAMM
Cc1ccc(-n2cnnn2)cc1CSc1nnn[n-]1	ZINC000066082366	348732113	/nfs/dbraw/zinc/73/21/13/348732113.db2.gz	IBBNCXXYUXZSSE-UHFFFAOYSA-N	-1	1	274.313	0.776	50	0		CCAAMM
Cc1ccc(-n2cnnn2)cc1CSc1nn[n-]n1	ZINC000066082366	348732118	/nfs/dbraw/zinc/73/21/18/348732118.db2.gz	IBBNCXXYUXZSSE-UHFFFAOYSA-N	-1	1	274.313	0.776	50	0		CCAAMM
CC(C)c1nc(N[C@H](C)c2nc(=O)[n-][nH]2)nc(N(C)C)n1	ZINC000170087317	350841843	/nfs/dbraw/zinc/84/18/43/350841843.db2.gz	UPQUHZSHNZBJHG-SSDOTTSWSA-N	-1	1	292.347	0.646	50	0		CCAAMM
Cc1noc(C[N-]S(=O)(=O)c2ccccn2)n1	ZINC000170613239	350848562	/nfs/dbraw/zinc/84/85/62/350848562.db2.gz	WBTMKASPKVYEEF-UHFFFAOYSA-N	-1	1	254.271	0.252	50	0		CCAAMM
Cc1nc([C@@H]2CCCN2Cc2c[nH]nc2C(=O)[O-])n[nH]1	ZINC000215182358	351934819	/nfs/dbraw/zinc/93/48/19/351934819.db2.gz	HDVVIOVYSMGUPO-VIFPVBQESA-N	-1	1	276.300	0.872	50	0		CCAAMM
Cc1nn(C(C)C)c(C)c1C(=O)NCCc1nn[n-]n1	ZINC000299790047	354052835	/nfs/dbraw/zinc/05/28/35/354052835.db2.gz	BBYYJSQXCRXSBT-UHFFFAOYSA-N	-1	1	277.332	0.566	50	0		CCAAMM
C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nc(=O)[n-][nH]1	ZINC000216023447	189700062	/nfs/dbraw/zinc/70/00/62/189700062.db2.gz	HIDPHPIFPKCNEP-SSDOTTSWSA-N	-1	1	290.279	0.247	50	0		CCAAMM
O=C(Nc1nn[n-]n1)c1ccc(Br)o1	ZINC000005649660	388763514	/nfs/dbraw/zinc/76/35/14/388763514.db2.gz	WQTQJHRZBSNOJI-UHFFFAOYSA-N	-1	1	258.035	0.808	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2nncs2)n1	ZINC000012391034	388782353	/nfs/dbraw/zinc/78/23/53/388782353.db2.gz	HWBXDDUOZCMVKQ-UHFFFAOYSA-N	-1	1	284.326	0.347	50	0		CCAAMM
CCCn1ncnc1[C@H](C)NC(=O)Cc1c(C)[n-][nH]c1=O	ZINC000426623364	389674902	/nfs/dbraw/zinc/67/49/02/389674902.db2.gz	UPYUXNJWORILDG-VIFPVBQESA-N	-1	1	292.343	0.845	50	0		CCAAMM
O=C1[N-]C(=O)/C(=C\c2ccc(/C=C3/NC(=O)NC3=O)cc2)N1	ZINC000008665105	170344892	/nfs/dbraw/zinc/34/48/92/170344892.db2.gz	GZMJNPDFTRZZQJ-NXZHAISVSA-N	-1	1	298.258	0.047	50	0		CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-][C@@]1(C)CCCOC1	ZINC000329694158	411760364	/nfs/dbraw/zinc/76/03/64/411760364.db2.gz	WXUHSSQRGQBMSN-JTQLQIEISA-N	-1	1	275.330	0.413	50	0		CCAAMM
CCC1(C[N-]S(=O)(=O)c2c(C)onc2N)COC1	ZINC000333126964	411761367	/nfs/dbraw/zinc/76/13/67/411761367.db2.gz	WEUMDVKABYSMPQ-UHFFFAOYSA-N	-1	1	275.330	0.270	50	0		CCAAMM
Cc1cc(C(=O)NN2CC(=O)[N-]C2=O)c(C)s1	ZINC000029019109	171583342	/nfs/dbraw/zinc/58/33/42/171583342.db2.gz	AXFRXGBAFPBPCD-UHFFFAOYSA-N	-1	1	253.283	0.562	50	0		CCAAMM
CO[C@@H]1CCN(Cc2cc(=O)n3nc(C)[n-]c3n2)C1	ZINC000824300241	821626333	/nfs/dbraw/zinc/62/63/33/821626333.db2.gz	APLFIFRLCGNOMT-SNVBAGLBSA-N	-1	1	263.301	0.359	50	0		CCAAMM
Cn1cc(N2CCN(Cc3ncccc3[O-])CC2=O)cn1	ZINC000585084424	839582990	/nfs/dbraw/zinc/58/29/90/839582990.db2.gz	ZWWWBDJFRMSLPC-UHFFFAOYSA-N	-1	1	287.323	0.370	50	0		CCAAMM
O=C([C@H]1CCCS1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC000952882529	841587054	/nfs/dbraw/zinc/58/70/54/841587054.db2.gz	SDJWEYFVSVYZMU-NXEZZACHSA-N	-1	1	281.385	0.876	50	0		CCAAMM
CN(C)S(=O)(=O)c1ccc2n[n-]c(=S)n2c1	ZINC000095944730	185037254	/nfs/dbraw/zinc/03/72/54/185037254.db2.gz	BDJIQJSPAIBLKU-UHFFFAOYSA-N	-1	1	258.328	0.268	50	0		CCAAMM
C[C@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CN(C)CCO1	ZINC000097100811	349628062	/nfs/dbraw/zinc/62/80/62/349628062.db2.gz	UQSDRRCCNSAYCN-TVQRCGJNSA-N	-1	1	282.315	0.980	50	0		CCAAMM
CCOC(=O)c1[n-]nc2c1C(=O)N(c1ccccc1)C2=O	ZINC000103633441	349703119	/nfs/dbraw/zinc/70/31/19/349703119.db2.gz	IXJXTERQVHTICW-VIFPVBQESA-N	-1	1	285.259	0.550	50	0		CCAAMM
CCOC(=O)c1n[n-]c2c1C(=O)N(c1ccccc1)C2=O	ZINC000103633441	349703125	/nfs/dbraw/zinc/70/31/25/349703125.db2.gz	IXJXTERQVHTICW-VIFPVBQESA-N	-1	1	285.259	0.550	50	0		CCAAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O	ZINC000009111624	348013615	/nfs/dbraw/zinc/01/36/15/348013615.db2.gz	IGLDQCXWNWDXGF-WBMJQRKESA-N	-1	1	299.330	0.906	50	0	biogenic	CCAAMM
CCO[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC000223917370	351992724	/nfs/dbraw/zinc/99/27/24/351992724.db2.gz	XZAMASRBVHVOPA-UWVGGRQHSA-N	-1	1	252.270	0.009	50	0		CCAAMM
CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)n[nH]1	ZINC000236600555	352200045	/nfs/dbraw/zinc/20/00/45/352200045.db2.gz	SBZSIAXPXGFEBZ-SNVBAGLBSA-N	-1	1	267.285	0.459	50	0		CCAAMM
Cc1n[nH]c2c1CN(C(=O)Cc1cc(=O)[n-][nH]c1=O)CC2	ZINC000584890690	359230167	/nfs/dbraw/zinc/23/01/67/359230167.db2.gz	PEBXYQNSNZFAAF-UHFFFAOYSA-N	-1	1	289.295	0.047	50	0		CCAAMM
Cc1c[nH]c(CN(C)Cc2cc(=O)n3[n-]cnc3n2)n1	ZINC000334159663	206119505	/nfs/dbraw/zinc/11/95/05/206119505.db2.gz	BJWFTLMYCCVGMR-UHFFFAOYSA-N	-1	1	273.300	0.081	50	0		CCAAMM
O=c1[nH]nc2[n-]c(=O)c3[nH]cc(-c4ccccc4)c3n12	ZINC000057352355	285203648	/nfs/dbraw/zinc/20/36/48/285203648.db2.gz	SBZQGZIQOXMIOG-UHFFFAOYSA-N	-1	1	267.248	0.859	50	0		CCAAMM
CSCC[C@H](C(=O)Nc1nnn[n-]1)n1cccc1	ZINC000263588724	256784099	/nfs/dbraw/zinc/78/40/99/256784099.db2.gz	XTDXDDJMHNXEGU-MRVPVSSYSA-N	-1	1	266.330	0.934	50	0		CCAAMM
CSCC[C@H](C(=O)Nc1nn[n-]n1)n1cccc1	ZINC000263588724	256784101	/nfs/dbraw/zinc/78/41/01/256784101.db2.gz	XTDXDDJMHNXEGU-MRVPVSSYSA-N	-1	1	266.330	0.934	50	0		CCAAMM
COC(=O)c1c[nH]c(=O)c(I)c1[O-]	ZINC000040564653	292031013	/nfs/dbraw/zinc/03/10/13/292031013.db2.gz	UVMXGUNKQKCMHM-UHFFFAOYSA-N	-1	1	295.032	0.884	50	0		CCAAMM
O=C1C[C@@H]([P@@](=O)([O-])CN2CCCCCC2=O)CO1	ZINC000004811808	170021228	/nfs/dbraw/zinc/02/12/28/170021228.db2.gz	HKOHUMPIZFCECB-SECBINFHSA-N	-1	1	275.241	0.932	50	0		CCAAMM
O=C([O-])CN1CCN(C(=O)NC2CCCCC2)CC1	ZINC000035680371	172351638	/nfs/dbraw/zinc/35/16/38/172351638.db2.gz	FVNHXBBEHJUKTN-UHFFFAOYSA-N	-1	1	269.345	0.731	50	0		CCAAMM
CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000040513891	174305892	/nfs/dbraw/zinc/30/58/92/174305892.db2.gz	BXGPUXMGFSOVCN-UHFFFAOYSA-N	-1	1	260.315	0.670	50	0		CCAAMM
O=C1[N-]C(=O)C2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1	ZINC000018060909	280279052	/nfs/dbraw/zinc/27/90/52/280279052.db2.gz	JBXDINDWSZYNQE-LLVKDONJSA-N	-1	1	285.303	0.564	50	0		CCAAMM
CN1C(=O)NC(=O)C(=C([O-])C=Cc2ccncc2)C1=O	ZINC000101409416	289849832	/nfs/dbraw/zinc/84/98/32/289849832.db2.gz	ATYXWQHBGDKNIV-ZKAKZSDCSA-N	-1	1	273.248	0.615	50	0		CCAAMM
COC[C@@H](NC(=O)c1cccc(C)c1C)c1nn[n-]n1	ZINC000952882760	841587450	/nfs/dbraw/zinc/58/74/50/841587450.db2.gz	OVFZQCGBLWRMOC-LLVKDONJSA-N	-1	1	275.312	0.934	50	0		CCAAMM
Cc1cc(C(=O)NC2(c3nn[n-]n3)CCC2)ncn1	ZINC000952874684	897860269	/nfs/dbraw/zinc/86/02/69/897860269.db2.gz	MNTVFTPBNGUDOH-UHFFFAOYSA-N	-1	1	259.273	0.107	50	0		CCAAMM
CO[C@@H]1COCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000223860095	230399097	/nfs/dbraw/zinc/39/90/97/230399097.db2.gz	YRDHROIFQKZHDE-GHMZBOCLSA-N	-1	1	293.323	0.181	50	0		CCAAMM
CCOC(=O)CSCC[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000001846344	347962268	/nfs/dbraw/zinc/96/22/68/347962268.db2.gz	IKOCLISPVJZJEA-JGVFFNPUSA-N	-1	1	279.383	0.789	50	0	in-man	CCAAMM
O=C(COC(=O)c1ccco1)[N-]C(=O)c1ccco1	ZINC000021976478	348080763	/nfs/dbraw/zinc/08/07/63/348080763.db2.gz	WQEYMMJYGJSVHN-UHFFFAOYSA-N	-1	1	263.205	0.986	50	0		CCAAMM
Cc1ccc(C(=O)NCC[N-]C(=O)C(F)(F)F)c(=O)[nH]1	ZINC000067947995	348790884	/nfs/dbraw/zinc/79/08/84/348790884.db2.gz	URIBPMKCHWDKMF-UHFFFAOYSA-N	-1	1	291.229	0.092	50	0		CCAAMM
CCN(C)S(=O)(=O)[N-]c1ccn(Cc2cccnc2)n1	ZINC000072306993	348921353	/nfs/dbraw/zinc/92/13/53/348921353.db2.gz	JHLSAJDEDYTHGJ-UHFFFAOYSA-N	-1	1	295.368	0.935	50	0		CCAAMM
O=C(NCc1nc(=O)[n-][nH]1)c1ccc(N2CCCC2)cc1	ZINC000215035357	351933824	/nfs/dbraw/zinc/93/38/24/351933824.db2.gz	CABQLXILBFRZBN-UHFFFAOYSA-N	-1	1	287.323	0.628	50	0		CCAAMM
C[C@H](Sc1ccccn1)C(=O)NCc1nc(=O)[n-][nH]1	ZINC000216188099	351940174	/nfs/dbraw/zinc/94/01/74/351940174.db2.gz	GSIRVBCQAVYYBN-ZETCQYMHSA-N	-1	1	279.325	0.290	50	0		CCAAMM
C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)[O-])CC2)C1	ZINC000237522661	352269643	/nfs/dbraw/zinc/26/96/43/352269643.db2.gz	OGSOVLMYLBBFSE-QWHCGFSZSA-N	-1	1	297.399	0.384	50	0		CCAAMM
CC(C)c1nc(C(=O)NCCc2nn[n-]n2)cs1	ZINC000244734773	352311555	/nfs/dbraw/zinc/31/15/55/352311555.db2.gz	NLQHYRPBONQZGM-UHFFFAOYSA-N	-1	1	266.330	0.752	50	0		CCAAMM
Cc1cc(C)n(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])n1	ZINC000036868971	388843682	/nfs/dbraw/zinc/84/36/82/388843682.db2.gz	BTALGHHCESQXLP-NSHDSACASA-N	-1	1	291.311	0.035	50	0		CCAAMM
NC1=NC(=O)[C@H](Cc2ccccc2C(=O)[O-])S1	ZINC000096306114	389059126	/nfs/dbraw/zinc/05/91/26/389059126.db2.gz	CGVSQNMFHKRENQ-QMMMGPOBSA-N	-1	1	250.279	0.884	50	0		CCAAMM
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c[nH]cn1	ZINC000225400544	389145401	/nfs/dbraw/zinc/14/54/01/389145401.db2.gz	GYPWRMKTCVASGZ-MNOVXSKESA-N	-1	1	286.401	0.808	50	0		CCAAMM
CCCCNC(=O)[C@H](C)N1CCC[C@@H](c2n[n-]c(=N)o2)C1	ZINC000585116355	390356779	/nfs/dbraw/zinc/35/67/79/390356779.db2.gz	RMXZBYJETXUZTL-WDEREUQCSA-N	-1	1	295.387	0.966	50	0		CCAAMM
O=C([O-])c1cc(NC(=O)CSc2c[nH]nn2)ccc1O	ZINC000004912692	170040665	/nfs/dbraw/zinc/04/06/65/170040665.db2.gz	BCJLYFCDGPASIC-UHFFFAOYSA-N	-1	1	294.292	0.939	50	0		CCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N2CCCC2=O)n1	ZINC000006503731	170207531	/nfs/dbraw/zinc/20/75/31/170207531.db2.gz	IFDVUXPEKPXUQP-UHFFFAOYSA-N	-1	1	295.364	0.964	50	0		CCAAMM
Cc1ccc(C(=O)N2CCN[C@H](C(=O)[O-])C2)c(O)c1	ZINC000071747112	176258792	/nfs/dbraw/zinc/25/87/92/176258792.db2.gz	KYWWFGLBCXHNCA-JTQLQIEISA-N	-1	1	264.281	0.199	50	0		CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-]Cc1cccnc1	ZINC000072240907	176348674	/nfs/dbraw/zinc/34/86/74/176348674.db2.gz	XVTGXOLAZSKTEV-UHFFFAOYSA-N	-1	1	268.298	0.439	50	0		CCAAMM
Cn1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)cn1	ZINC000076936015	177133422	/nfs/dbraw/zinc/13/34/22/177133422.db2.gz	VGYHSONDMPHXOY-SNVBAGLBSA-N	-1	1	259.331	0.731	50	0		CCAAMM
O=c1c2c([n-]n1[C@@H]1CCS(=O)(=O)C1)CCCC2	ZINC000101449755	304794307	/nfs/dbraw/zinc/79/43/07/304794307.db2.gz	QDPYFNCAEVQYNZ-MRVPVSSYSA-N	-1	1	256.327	0.827	50	0		CCAAMM
Cc1ccccc1CNC(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000534581075	328311520	/nfs/dbraw/zinc/31/15/20/328311520.db2.gz	UEQKXQGOHOHSMM-NHAGDIPZSA-N	-1	1	288.347	0.874	50	0		CCAAMM
CCN1C[C@H](NC(=O)CCCC(=O)[O-])[C@@H](OC)C1	ZINC000534676228	328351730	/nfs/dbraw/zinc/35/17/30/328351730.db2.gz	HKJOCOCFDXSPDO-UWVGGRQHSA-N	-1	1	258.318	0.077	50	0		CCAAMM
O=C(COC/C=C\c1ccccc1)Nc1nnn[n-]1	ZINC000339811784	335148829	/nfs/dbraw/zinc/14/88/29/335148829.db2.gz	DBVYXMCGHRXLOC-DAXSKMNVSA-N	-1	1	259.269	0.868	50	0		CCAAMM
O=C(COC/C=C\c1ccccc1)Nc1nn[n-]n1	ZINC000339811784	335148830	/nfs/dbraw/zinc/14/88/30/335148830.db2.gz	DBVYXMCGHRXLOC-DAXSKMNVSA-N	-1	1	259.269	0.868	50	0		CCAAMM
CCOCCCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC000952883521	841588643	/nfs/dbraw/zinc/58/86/43/841588643.db2.gz	MXUWXWHUCYZZKF-LLVKDONJSA-N	-1	1	281.360	0.798	50	0		CCAAMM
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccn[nH]2)C1	ZINC000091644699	349471412	/nfs/dbraw/zinc/47/14/12/349471412.db2.gz	JHECWTPJVKOORD-CYBMUJFWSA-N	-1	1	281.312	0.753	50	0		CCAAMM
O=C1[N-]C(=S)NC1=Cc1ccccc1N1CCOCC1	ZINC000008782258	348013103	/nfs/dbraw/zinc/01/31/03/348013103.db2.gz	RLMCRSDIAAHIFO-PKNBQFBNSA-N	-1	1	289.360	0.868	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCn2nnc3ccccc32)n1	ZINC000013844142	348031497	/nfs/dbraw/zinc/03/14/97/348031497.db2.gz	FYEDYJFBSHGYAF-UHFFFAOYSA-N	-1	1	274.309	0.847	50	0		CCAAMM
NC(=O)COc1ccccc1C=C1SC(=O)[N-]C1=O	ZINC000033293929	348145788	/nfs/dbraw/zinc/14/57/88/348145788.db2.gz	XDBHWOQFFZDFBN-UITAMQMPSA-N	-1	1	278.289	0.875	50	0		CCAAMM
O=C([O-])CNc1cccc(C(=O)NCCc2cnc[nH]2)c1	ZINC000067714097	348782342	/nfs/dbraw/zinc/78/23/42/348782342.db2.gz	UORIWFQIXYMHDN-UHFFFAOYSA-N	-1	1	288.307	0.879	50	0		CCAAMM
CC[S@@](=O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000072285536	348920169	/nfs/dbraw/zinc/92/01/69/348920169.db2.gz	YIGBGJSUHIAKDV-FQEVSTJZSA-N	-1	1	293.348	0.422	50	0		CCAAMM
CN1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)CCC1=O	ZINC000221354305	351978165	/nfs/dbraw/zinc/97/81/65/351978165.db2.gz	CQZVLLRTZWVYQS-VIFPVBQESA-N	-1	1	266.272	0.882	50	0		CCAAMM
CC(C)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)n[nH]1	ZINC000236600845	352200084	/nfs/dbraw/zinc/20/00/84/352200084.db2.gz	SBZSIAXPXGFEBZ-JTQLQIEISA-N	-1	1	267.285	0.459	50	0		CCAAMM
COCCCn1cnnc1CNC(=O)c1ccc([O-])cn1	ZINC000584892081	359231343	/nfs/dbraw/zinc/23/13/43/359231343.db2.gz	KCLXARWBTSROAM-UHFFFAOYSA-N	-1	1	291.311	0.345	50	0		CCAAMM
Cc1noc(C)c1C(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)[O-]	ZINC000072477016	388965855	/nfs/dbraw/zinc/96/58/55/388965855.db2.gz	ZPQHZGYUBBKXKA-LLVKDONJSA-N	-1	1	290.279	0.839	50	0		CCAAMM
O=C([O-])c1cccc(OCCNC(=O)CN2CCCC2)c1	ZINC000219510629	389137276	/nfs/dbraw/zinc/13/72/76/389137276.db2.gz	SMASJUUCIREYGK-UHFFFAOYSA-N	-1	1	292.335	0.976	50	0		CCAAMM
C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCCC1	ZINC000426441725	389667330	/nfs/dbraw/zinc/66/73/30/389667330.db2.gz	GYGRCZWDXJHJKG-MRVPVSSYSA-N	-1	1	253.306	0.001	50	0		CCAAMM
O=C([O-])CNC(=O)COCc1nc2ccc(F)cc2[nH]1	ZINC000426555486	389672293	/nfs/dbraw/zinc/67/22/93/389672293.db2.gz	JINLVXDVXUVBTF-UHFFFAOYSA-N	-1	1	281.243	0.419	50	0		CCAAMM
Cc1nn[nH]c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000426621654	389674123	/nfs/dbraw/zinc/67/41/23/389674123.db2.gz	MBVGIRLZVBITSR-VIFPVBQESA-N	-1	1	266.301	0.830	50	0		CCAAMM
CCOC(=O)c1n[nH]c([C@@H](C)N=c2nc(CC)[n-]s2)n1	ZINC000585092894	390356796	/nfs/dbraw/zinc/35/67/96/390356796.db2.gz	SQZISDVHCQJPRZ-ZCFIWIBFSA-N	-1	1	296.356	0.990	50	0		CCAAMM
CCOC(=O)[C@@]([O-])(NC(=O)c1cccnc1)C(F)(F)F	ZINC000002306070	169785295	/nfs/dbraw/zinc/78/52/95/169785295.db2.gz	XLSNZNXIGXZYRF-JTQLQIEISA-N	-1	1	292.213	0.625	50	0		CCAAMM
CC(C)(C)NC(=O)CSc1nc(O)cc(=O)[n-]1	ZINC000008685817	170345552	/nfs/dbraw/zinc/34/55/52/170345552.db2.gz	GMQDWNPSQJHMKG-UHFFFAOYSA-N	-1	1	257.315	0.895	50	0		CCAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccccn1	ZINC000071285261	176109883	/nfs/dbraw/zinc/10/98/83/176109883.db2.gz	GAFAJNQGYJOTQN-UHFFFAOYSA-N	-1	1	298.306	0.692	50	0		CCAAMM
CN1c2ccccc2/C(=C2\NC(=S)[N-]C2=O)C1=O	ZINC000005730928	277216939	/nfs/dbraw/zinc/21/69/39/277216939.db2.gz	JNSJFAYUGCDBBT-CMDGGOBGSA-N	-1	1	259.290	0.378	50	0		CCAAMM
Cn1nc(C(=O)[O-])c2c1CCN([C@H]1CCSC1)C2	ZINC000534651109	328337492	/nfs/dbraw/zinc/33/74/92/328337492.db2.gz	WOPFHSMYOMDYIQ-QMMMGPOBSA-N	-1	1	267.354	0.982	50	0		CCAAMM
CCC(CC)(NC(=O)c1ccnn1C)c1nn[n-]n1	ZINC000095261861	349599024	/nfs/dbraw/zinc/59/90/24/349599024.db2.gz	OGBMJZIODOWNAO-UHFFFAOYSA-N	-1	1	263.305	0.379	50	0		CCAAMM
CCOC(=O)c1ccc(-n2nnc3ncnc-3c2[O-])cc1	ZINC000001414526	347954933	/nfs/dbraw/zinc/95/49/33/347954933.db2.gz	GGTIUANTEZNQIU-UHFFFAOYSA-N	-1	1	285.263	0.681	50	0		CCAAMM
CCOC(=O)c1ccc(-n2nnc3[n-]cnc3c2=O)cc1	ZINC000001414526	347954938	/nfs/dbraw/zinc/95/49/38/347954938.db2.gz	GGTIUANTEZNQIU-UHFFFAOYSA-N	-1	1	285.263	0.681	50	0		CCAAMM
Cc1nc(C(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000012505339	348019657	/nfs/dbraw/zinc/01/96/57/348019657.db2.gz	PXSFXJSQKPCBBP-UHFFFAOYSA-N	-1	1	262.151	0.411	50	0		CCAAMM
COCCCCS(=O)(=O)c1nc(C(=O)OC)c[n-]1	ZINC000170618500	350849488	/nfs/dbraw/zinc/84/94/88/350849488.db2.gz	VUXFFMBFRFXYEF-UHFFFAOYSA-N	-1	1	276.314	0.397	50	0		CCAAMM
COCCn1cnnc1[C@@H](C)NC(=O)c1ncccc1[O-]	ZINC000220710773	351974688	/nfs/dbraw/zinc/97/46/88/351974688.db2.gz	ADFFANLCUXULLX-SECBINFHSA-N	-1	1	291.311	0.516	50	0		CCAAMM
O=C(Cc1ccc([O-])c(Cl)c1)NCCn1cncn1	ZINC000223723067	351989008	/nfs/dbraw/zinc/98/90/08/351989008.db2.gz	CAKFVGIKOJPKCX-UHFFFAOYSA-N	-1	1	280.715	0.996	50	0		CCAAMM
CC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccoc2)CC1	ZINC000252484878	352516917	/nfs/dbraw/zinc/51/69/17/352516917.db2.gz	GJWLHASPPICQSG-LLVKDONJSA-N	-1	1	266.297	0.901	50	0		CCAAMM
CCCn1[nH]ccc1=NC(=O)CSc1nccc(=O)[n-]1	ZINC000606442602	363287144	/nfs/dbraw/zinc/28/71/44/363287144.db2.gz	NVKALJWRQZMCPB-UHFFFAOYSA-N	-1	1	293.352	0.941	50	0		CCAAMM
O=C(c1ccon1)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000407999788	357860854	/nfs/dbraw/zinc/86/08/54/357860854.db2.gz	VUGOQAKTUHTZGQ-ZETCQYMHSA-N	-1	1	264.241	0.783	50	0		CCAAMM
O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000409421542	358111685	/nfs/dbraw/zinc/11/16/85/358111685.db2.gz	SVEWTYQRFLQEPQ-SNVBAGLBSA-N	-1	1	293.352	0.768	50	0		CCAAMM
Cc1nnc(NC(=O)C=C2SC(=O)[N-]C2=O)s1	ZINC000012492146	388784676	/nfs/dbraw/zinc/78/46/76/388784676.db2.gz	NVZBTRJWLMNLIM-RQOWECAXSA-N	-1	1	270.295	0.652	50	0		CCAAMM
O=C(Nc1nn[n-]n1)c1cc(-c2cccs2)[nH]n1	ZINC000076963830	388987924	/nfs/dbraw/zinc/98/79/24/388987924.db2.gz	KJRYTJVBPJWHSW-UHFFFAOYSA-N	-1	1	261.270	0.904	50	0		CCAAMM
CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nnn[n-]1	ZINC000096231331	389055475	/nfs/dbraw/zinc/05/54/75/389055475.db2.gz	VASCWELXVYGHFA-UHFFFAOYSA-N	-1	1	299.294	0.752	50	0		CCAAMM
CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nn[n-]n1	ZINC000096231331	389055478	/nfs/dbraw/zinc/05/54/78/389055478.db2.gz	VASCWELXVYGHFA-UHFFFAOYSA-N	-1	1	299.294	0.752	50	0		CCAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2nncs2)n1	ZINC000009805337	170385968	/nfs/dbraw/zinc/38/59/68/170385968.db2.gz	CHWVXNRUHULFBA-UHFFFAOYSA-N	-1	1	283.338	0.661	50	0		CCAAMM
O=C(CC(C1CC1)C1CC1)NN1CC(=O)[N-]C1=O	ZINC000049168316	411671032	/nfs/dbraw/zinc/67/10/32/411671032.db2.gz	SNHNFCDRRZKOPH-UHFFFAOYSA-N	-1	1	251.286	0.396	50	0		CCAAMM
CC(=O)Nc1nc(S(=O)(=O)CCc2ccccc2)n[n-]1	ZINC000021356910	171303266	/nfs/dbraw/zinc/30/32/66/171303266.db2.gz	IVODMGQWDZEMPJ-UHFFFAOYSA-N	-1	1	294.336	0.780	50	0		CCAAMM
CC(=O)Nc1nnc(S(=O)(=O)CCc2ccccc2)[n-]1	ZINC000021356910	171303268	/nfs/dbraw/zinc/30/32/68/171303268.db2.gz	IVODMGQWDZEMPJ-UHFFFAOYSA-N	-1	1	294.336	0.780	50	0		CCAAMM
COC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000070644083	175999112	/nfs/dbraw/zinc/99/91/12/175999112.db2.gz	KMXBUJVOVOEFCG-NSHDSACASA-N	-1	1	295.307	0.641	50	0		CCAAMM
COc1ccc(C(=O)N2CCN[C@@H](C(=O)[O-])C2)cc1OC	ZINC000071661993	176242544	/nfs/dbraw/zinc/24/25/44/176242544.db2.gz	UUDKAKGMTJCWBU-SNVBAGLBSA-N	-1	1	294.307	0.202	50	0		CCAAMM
COCc1noc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1	ZINC000091914841	544529585	/nfs/dbraw/zinc/52/95/85/544529585.db2.gz	SDMQTBRRIYPOAU-VHSXEESVSA-N	-1	1	281.312	0.759	50	0		CCAAMM
Fc1cccc2[nH]c(=NCc3nn[n-]n3)sc21	ZINC000585135181	839618520	/nfs/dbraw/zinc/61/85/20/839618520.db2.gz	IBITXWHZNHWNMA-UHFFFAOYSA-N	-1	1	250.262	0.983	50	0		CCAAMM
Cc1cc(C)n(CCCC(=O)N2CCN[C@@H](C(=O)[O-])C2)n1	ZINC000071750997	854007199	/nfs/dbraw/zinc/00/71/99/854007199.db2.gz	LFTYRCDUAXXKAO-GFCCVEGCSA-N	-1	1	294.355	0.165	50	0		CCAAMM
COc1cccc(CS(=O)(=O)c2c[n-]nn2)c1	ZINC000095412781	349609426	/nfs/dbraw/zinc/60/94/26/349609426.db2.gz	QDUGRSVJKIGRMZ-UHFFFAOYSA-N	-1	1	253.283	0.787	50	0		CCAAMM
COc1cccc(CS(=O)(=O)c2cn[n-]n2)c1	ZINC000095412781	349609429	/nfs/dbraw/zinc/60/94/29/349609429.db2.gz	QDUGRSVJKIGRMZ-UHFFFAOYSA-N	-1	1	253.283	0.787	50	0		CCAAMM
C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CN(C)CCO1	ZINC000097100812	349628051	/nfs/dbraw/zinc/62/80/51/349628051.db2.gz	UQSDRRCCNSAYCN-NOZJJQNGSA-N	-1	1	282.315	0.980	50	0		CCAAMM
COc1ccccc1-c1cc(C(=O)NCc2nn[n-]n2)[nH]n1	ZINC000097217697	349634610	/nfs/dbraw/zinc/63/46/10/349634610.db2.gz	OAYFZMHOBAEDON-UHFFFAOYSA-N	-1	1	299.294	0.528	50	0		CCAAMM
Cc1cc(C(=O)NC[C@H](C)c2nn[n-]n2)nn1C(C)(C)C	ZINC000097377522	349639784	/nfs/dbraw/zinc/63/97/84/349639784.db2.gz	NDIACZDLLNQIEO-QMMMGPOBSA-N	-1	1	291.359	0.993	50	0		CCAAMM
Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])n[nH]1	ZINC000128252160	187359905	/nfs/dbraw/zinc/35/99/05/187359905.db2.gz	IZTPIMSJPOTBAD-QMMMGPOBSA-N	-1	1	253.258	0.034	50	0		CCAAMM
CCN(C[P@](=O)([O-])CN1CCCC1=O)C(C)=O	ZINC000000439404	347947583	/nfs/dbraw/zinc/94/75/83/347947583.db2.gz	QYZXIOGDCNETJZ-UHFFFAOYSA-N	-1	1	262.246	0.663	50	0		CCAAMM
O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCN1	ZINC000004202901	347990965	/nfs/dbraw/zinc/99/09/65/347990965.db2.gz	ARLOIFJEXPDJGV-NSHDSACASA-N	-1	1	264.281	0.682	50	0		CCAAMM
CCOC(=O)CSC([O-])=NC(=O)c1snnc1C	ZINC000004322905	347993189	/nfs/dbraw/zinc/99/31/89/347993189.db2.gz	DLHWRCDRWUGTRZ-UHFFFAOYSA-N	-1	1	289.338	0.993	50	0		CCAAMM
CCOC(=O)CSC(=O)[N-]C(=O)c1snnc1C	ZINC000004322905	347993190	/nfs/dbraw/zinc/99/31/90/347993190.db2.gz	DLHWRCDRWUGTRZ-UHFFFAOYSA-N	-1	1	289.338	0.993	50	0		CCAAMM
COc1ccc(CCn2c(=O)cc([O-])[nH]c2=O)cc1OC	ZINC000004560128	347998298	/nfs/dbraw/zinc/99/82/98/347998298.db2.gz	XADOJCGJGFXLAH-UHFFFAOYSA-N	-1	1	292.291	0.715	50	0		CCAAMM
O=C(NN1CC(=O)[N-]C1=O)[C@H]1C[C@@H]1c1ccc(F)cc1	ZINC000029023657	348110115	/nfs/dbraw/zinc/11/01/15/348110115.db2.gz	ZIFJULCBRXVPRW-ZJUUUORDSA-N	-1	1	277.255	0.512	50	0		CCAAMM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cn(C)nc1C	ZINC000032502540	348134245	/nfs/dbraw/zinc/13/42/45/348134245.db2.gz	VAVKTTMLLYGBTP-UHFFFAOYSA-N	-1	1	284.341	0.812	50	0		CCAAMM
Clc1cccc(-c2nnn(Cc3nn[n-]n3)n2)c1	ZINC000034929189	348152697	/nfs/dbraw/zinc/15/26/97/348152697.db2.gz	GEWOONXBOFDFGE-UHFFFAOYSA-N	-1	1	262.664	0.555	50	0		CCAAMM
Cn1[n-]c(=O)nc1SCC(=O)NCc1cccs1	ZINC000057661271	348613561	/nfs/dbraw/zinc/61/35/61/348613561.db2.gz	GFQVGPGSJJJHKK-UHFFFAOYSA-N	-1	1	284.366	0.578	50	0		CCAAMM
C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000225436147	352004198	/nfs/dbraw/zinc/00/41/98/352004198.db2.gz	UBWPVGVKAWBTLC-OPRDCNLKSA-N	-1	1	283.328	0.553	50	0		CCAAMM
Cc1nc(CC(=O)NCCc2nn[n-]n2)c(C)s1	ZINC000244874157	352314148	/nfs/dbraw/zinc/31/41/48/352314148.db2.gz	WVNZTIMWFYGQRS-UHFFFAOYSA-N	-1	1	266.330	0.174	50	0		CCAAMM
O=C([O-])CCC(=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000426615433	389674527	/nfs/dbraw/zinc/67/45/27/389674527.db2.gz	JTPZEQCFVBZTFS-LBPRGKRZSA-N	-1	1	284.356	0.422	50	0		CCAAMM
CCCn1ncnc1[C@@H](C)NC(=O)Cc1c(C)[n-][nH]c1=O	ZINC000426623363	389675035	/nfs/dbraw/zinc/67/50/35/389675035.db2.gz	UPYUXNJWORILDG-SECBINFHSA-N	-1	1	292.343	0.845	50	0		CCAAMM
CCOC(=O)c1nc([C@H](C)NC(=O)c2cccn2C)n[n-]1	ZINC000585131304	390358728	/nfs/dbraw/zinc/35/87/28/390358728.db2.gz	RIDDKGUQFDDASQ-QMMMGPOBSA-N	-1	1	291.311	0.811	50	0		CCAAMM
CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccn2C)[n-]1	ZINC000585131304	390358730	/nfs/dbraw/zinc/35/87/30/390358730.db2.gz	RIDDKGUQFDDASQ-QMMMGPOBSA-N	-1	1	291.311	0.811	50	0		CCAAMM
CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccn2C)n1	ZINC000585131304	390358732	/nfs/dbraw/zinc/35/87/32/390358732.db2.gz	RIDDKGUQFDDASQ-QMMMGPOBSA-N	-1	1	291.311	0.811	50	0		CCAAMM
CSCC[C@@H](C(=O)Nc1nnn[n-]1)n1cccc1	ZINC000575443485	390840909	/nfs/dbraw/zinc/84/09/09/390840909.db2.gz	XTDXDDJMHNXEGU-QMMMGPOBSA-N	-1	1	266.330	0.934	50	0		CCAAMM
CSCC[C@@H](C(=O)Nc1nn[n-]n1)n1cccc1	ZINC000575443485	390840914	/nfs/dbraw/zinc/84/09/14/390840914.db2.gz	XTDXDDJMHNXEGU-QMMMGPOBSA-N	-1	1	266.330	0.934	50	0		CCAAMM
C[C@H](CN1CCOCC1)C(=O)NCc1ccc(C(=O)[O-])o1	ZINC000221263736	397434774	/nfs/dbraw/zinc/43/47/74/397434774.db2.gz	FWFFRAWRWAGTIR-SNVBAGLBSA-N	-1	1	296.323	0.562	50	0		CCAAMM
CCC(=O)c1c(=O)[nH]c(=O)n(-c2ccc(OC)cc2)c1[O-]	ZINC000004705549	170002354	/nfs/dbraw/zinc/00/23/54/170002354.db2.gz	JXGVSGNLRWLPSG-UHFFFAOYSA-N	-1	1	290.275	0.833	50	0		CCAAMM
CCCNC(=O)CSc1nc(CC)cc(=O)[n-]1	ZINC000005154996	170071338	/nfs/dbraw/zinc/07/13/38/170071338.db2.gz	PQRWEGGICFFANG-UHFFFAOYSA-N	-1	1	255.343	0.951	50	0		CCAAMM
O=C(CCn1c(=O)sc2ccccc21)Nc1nnn[n-]1	ZINC000006670452	170224355	/nfs/dbraw/zinc/22/43/55/170224355.db2.gz	UMQHKONPVKIWAD-UHFFFAOYSA-N	-1	1	290.308	0.605	50	0		CCAAMM
O=C(CCn1c(=O)sc2ccccc21)Nc1nn[n-]n1	ZINC000006670452	170224357	/nfs/dbraw/zinc/22/43/57/170224357.db2.gz	UMQHKONPVKIWAD-UHFFFAOYSA-N	-1	1	290.308	0.605	50	0		CCAAMM
COCC[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000006726534	170233389	/nfs/dbraw/zinc/23/33/89/170233389.db2.gz	XLLDKTRQTJJHBQ-UHFFFAOYSA-N	-1	1	251.254	0.890	50	0		CCAAMM
CC(C)NC(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000008058301	170316718	/nfs/dbraw/zinc/31/67/18/170316718.db2.gz	HUNVLYDTKNRDFB-UHFFFAOYSA-N	-1	1	292.307	0.768	50	0		CCAAMM
Cc1ccc(F)cc1C(=O)N1CCN[C@@H](C(=O)[O-])C1	ZINC000071708031	176248682	/nfs/dbraw/zinc/24/86/82/176248682.db2.gz	LNJPXVIJOZZBPA-LLVKDONJSA-N	-1	1	266.272	0.633	50	0		CCAAMM
CC(C)S(=O)(=O)Nc1ncc(C(=O)[O-])s1	ZINC000720013735	545872059	/nfs/dbraw/zinc/87/20/59/545872059.db2.gz	DITLBMZSEDRCGN-UHFFFAOYSA-N	-1	1	250.301	0.991	50	0		CCAAMM
CCC1(C(=O)[O-])CCN(CCS(C)(=O)=O)CC1	ZINC000062846307	820164303	/nfs/dbraw/zinc/16/43/03/820164303.db2.gz	MTEQFMUEEFAMAK-UHFFFAOYSA-N	-1	1	263.359	0.608	50	0		CCAAMM
CC(=O)c1ccc(NC(=O)NCCc2nn[n-]n2)cc1	ZINC000095112880	349590533	/nfs/dbraw/zinc/59/05/33/349590533.db2.gz	AAEHUCQQVOEPLQ-UHFFFAOYSA-N	-1	1	274.284	0.767	50	0		CCAAMM
O=C1[N-]C(=S)NC1=Cc1ccc2c(c1)OCCO2	ZINC000105417044	349723088	/nfs/dbraw/zinc/72/30/88/349723088.db2.gz	YTXJHJQADGDTLI-VMPITWQZSA-N	-1	1	262.290	0.803	50	0		CCAAMM
Cc1ccc2nc(C(=O)NCc3nn[n-]n3)cn2c1	ZINC000097813781	185670688	/nfs/dbraw/zinc/67/06/88/185670688.db2.gz	DREOCPCGLBRETI-UHFFFAOYSA-N	-1	1	257.257	0.086	50	0		CCAAMM
CC[C@@H](C)C(=O)N[C@]([O-])(C(=O)OC)C(F)(F)F	ZINC000002305934	347965756	/nfs/dbraw/zinc/96/57/56/347965756.db2.gz	KWXHNPFNVYAWSD-XRGYYRRGSA-N	-1	1	257.208	0.573	50	0		CCAAMM
O=C([O-])C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O	ZINC000000424885	347947602	/nfs/dbraw/zinc/94/76/02/347947602.db2.gz	PMJDDDWRTVLZAH-QMMMGPOBSA-N	-1	1	275.289	0.829	50	0		CCAAMM
O=C(CCn1ccc2ccccc21)NN1CC(=O)[N-]C1=O	ZINC000029019649	348110291	/nfs/dbraw/zinc/11/02/91/348110291.db2.gz	RORYNJMDGLJHEY-UHFFFAOYSA-N	-1	1	286.291	0.614	50	0		CCAAMM
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000035024357	348154122	/nfs/dbraw/zinc/15/41/22/348154122.db2.gz	AYMLQYFMYHISQO-MRVPVSSYSA-N	-1	1	255.274	0.930	50	0		CCAAMM
COCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccc1	ZINC000050513566	348476459	/nfs/dbraw/zinc/47/64/59/348476459.db2.gz	BMPAIHRZSRVLHF-NSHDSACASA-N	-1	1	287.337	0.467	50	0		CCAAMM
CCC[C@H](NC(=O)c1cnc(C)cn1)c1nn[n-]n1	ZINC000089949696	349416035	/nfs/dbraw/zinc/41/60/35/349416035.db2.gz	XMZNMJWENPYRHT-QMMMGPOBSA-N	-1	1	261.289	0.569	50	0		CCAAMM
CC(C)(Oc1ccc(F)cc1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000170600055	350847950	/nfs/dbraw/zinc/84/79/50/350847950.db2.gz	XUGKCQXBZULMKE-UHFFFAOYSA-N	-1	1	295.270	0.566	50	0		CCAAMM
O=C(c1ccc2[nH]nnc2c1)N1C[C@H]2CCC[C@@H](C1)NC2=O	ZINC000216302020	351941124	/nfs/dbraw/zinc/94/11/24/351941124.db2.gz	TYFJFEFAULKCQN-MNOVXSKESA-N	-1	1	299.334	0.699	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)C2CC=CC2)CC1	ZINC000085159680	256857542	/nfs/dbraw/zinc/85/75/42/256857542.db2.gz	GURHAFPJQZMSGW-UHFFFAOYSA-N	-1	1	252.314	0.572	50	0		CCAAMM
Cc1nn(C)c(C(=O)NCCCc2nn[n-]n2)c1Cl	ZINC000426623153	389675073	/nfs/dbraw/zinc/67/50/73/389675073.db2.gz	BWRBTRFVYSFTBY-UHFFFAOYSA-N	-1	1	283.723	0.258	50	0		CCAAMM
Cc1nc2ccccn2c1CC(=O)NCCCc1nn[n-]n1	ZINC000426690280	389677184	/nfs/dbraw/zinc/67/71/84/389677184.db2.gz	KPUGPKSUEOORBN-UHFFFAOYSA-N	-1	1	299.338	0.447	50	0		CCAAMM
CCOC(=O)CNC(=O)CSc1nc(CC)cc(=O)[n-]1	ZINC000009927138	170390942	/nfs/dbraw/zinc/39/09/42/170390942.db2.gz	FJNGTRRZPSHOAA-UHFFFAOYSA-N	-1	1	299.352	0.104	50	0		CCAAMM
O=C([O-])CN1CCN(C(=O)CCc2ccccc2)CC1	ZINC000020180566	171045023	/nfs/dbraw/zinc/04/50/23/171045023.db2.gz	REIXRUACZJNYJO-UHFFFAOYSA-N	-1	1	276.336	0.848	50	0		CCAAMM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)CC(=O)N2	ZINC000005974702	303504213	/nfs/dbraw/zinc/50/42/13/303504213.db2.gz	UUGDEEFHTZJKDE-MRVPVSSYSA-N	-1	1	256.265	0.826	50	0		CCAAMM
CC[C@@H](CNC(=O)c1cc(C)ncc1[O-])N1CCOCC1	ZINC000534590257	328317734	/nfs/dbraw/zinc/31/77/34/328317734.db2.gz	UIPNSTKCWAPJQL-LBPRGKRZSA-N	-1	1	293.367	0.936	50	0		CCAAMM
CC[C@H](CNC(=O)c1cc(C)ncc1[O-])N1CCOCC1	ZINC000534590256	328317795	/nfs/dbraw/zinc/31/77/95/328317795.db2.gz	UIPNSTKCWAPJQL-GFCCVEGCSA-N	-1	1	293.367	0.936	50	0		CCAAMM
CCOc1ncc([N-]S(C)(=O)=O)c(OCC)n1	ZINC000096098745	185097033	/nfs/dbraw/zinc/09/70/33/185097033.db2.gz	MXAJREJCTXZTCP-UHFFFAOYSA-N	-1	1	261.303	0.646	50	0		CCAAMM
CN(Cc1cccc(C(=O)[O-])n1)C[C@@H]1COCCO1	ZINC000097480190	349642064	/nfs/dbraw/zinc/64/20/64/349642064.db2.gz	XLTAZYAYTUDERO-LLVKDONJSA-N	-1	1	266.297	0.627	50	0		CCAAMM
O=C([O-])C[C@@H]1COCCN1CCCn1cccn1	ZINC000097514302	349642554	/nfs/dbraw/zinc/64/25/54/349642554.db2.gz	PSLJKXNXCDVWMF-LLVKDONJSA-N	-1	1	253.302	0.449	50	0		CCAAMM
COc1cc(/C=C2\NC(=S)[N-]C2=O)cc(OC)c1O	ZINC000100541027	349658474	/nfs/dbraw/zinc/65/84/74/349658474.db2.gz	NJSXTMCVJJZBDG-CLTKARDFSA-N	-1	1	280.305	0.755	50	0		CCAAMM
Cc1c(CCO)c(=O)[n-]n1S(=O)(=O)c1cccs1	ZINC000001402192	347955400	/nfs/dbraw/zinc/95/54/00/347955400.db2.gz	TWZJCENIQPZCBU-UHFFFAOYSA-N	-1	1	288.350	0.318	50	0		CCAAMM
COc1cc2c(cc1/C=C1/NC(=S)[N-]C1=O)OCO2	ZINC000000530408	347950045	/nfs/dbraw/zinc/95/00/45/347950045.db2.gz	BYPXZUXELXOYPU-FARCUNLSSA-N	-1	1	278.289	0.769	50	0		CCAAMM
O=C([O-])c1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000000798930	347951408	/nfs/dbraw/zinc/95/14/08/347951408.db2.gz	HRYATXLYVNRBDF-UHFFFAOYSA-N	-1	1	279.277	0.976	50	0		CCAAMM
COc1cc(CN=Nc2nn[n-]n2)cc2c1OCO2	ZINC000004737793	347999934	/nfs/dbraw/zinc/99/99/34/347999934.db2.gz	BYFBPCMFCWIKSE-NYYWCZLTSA-N	-1	1	262.229	0.383	50	0		CCAAMM
COCCN1CCc2nc3sc(=S)[n-]n3c(=O)c2C1	ZINC000035606365	348159304	/nfs/dbraw/zinc/15/93/04/348159304.db2.gz	HEBBIBALZGXFJU-UHFFFAOYSA-N	-1	1	298.393	0.444	50	0		CCAAMM
COc1cccc(C(=O)NCc2nc(=O)[n-][nH]2)c1C	ZINC000216337886	351941433	/nfs/dbraw/zinc/94/14/33/351941433.db2.gz	YUIPTDSSQBWDRM-UHFFFAOYSA-N	-1	1	262.269	0.345	50	0		CCAAMM
CCCc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n[nH]1	ZINC000236899006	352226066	/nfs/dbraw/zinc/22/60/66/352226066.db2.gz	XTMPCEDZXCYELY-SNVBAGLBSA-N	-1	1	281.312	0.678	50	0		CCAAMM
CCc1ocnc1C(=O)NCCCc1nn[n-]n1	ZINC000584901483	359241532	/nfs/dbraw/zinc/24/15/32/359241532.db2.gz	WMARWERZLYSQJW-UHFFFAOYSA-N	-1	1	250.262	0.113	50	0		CCAAMM
CC(C)NC(=O)Cc1sc(N2CCOCC2)nc1[O-]	ZINC000012409663	388783314	/nfs/dbraw/zinc/78/33/14/388783314.db2.gz	UZFYNODGDJYGKQ-VIFPVBQESA-N	-1	1	285.369	0.231	50	0		CCAAMM
O=c1[nH]nc(Cc2nn[n-]n2)n1-c1cccc2ccccc21	ZINC000065433313	388942390	/nfs/dbraw/zinc/94/23/90/388942390.db2.gz	WMEALYRCIMAYBN-UHFFFAOYSA-N	-1	1	293.290	0.818	50	0		CCAAMM
Cn1[n-]c(CN2CCC[C@@H](C(F)(F)F)C2)nc1=O	ZINC000336395960	389634615	/nfs/dbraw/zinc/63/46/15/389634615.db2.gz	LAJCXZBDUULMKC-SSDOTTSWSA-N	-1	1	264.251	0.883	50	0		CCAAMM
COc1ccc(-n2c(O)cc(=O)[n-]c2=S)cc1	ZINC000000198493	286323534	/nfs/dbraw/zinc/32/35/34/286323534.db2.gz	BEXQTUOZCTYWFF-UHFFFAOYSA-N	-1	1	250.279	0.833	50	0		CCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCC(=O)OC)n1	ZINC000005924806	170155690	/nfs/dbraw/zinc/15/56/90/170155690.db2.gz	YHVUOZXLZFUYDP-UHFFFAOYSA-N	-1	1	299.352	0.104	50	0		CCAAMM
Cc1cnc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cn1	ZINC000006348773	170194913	/nfs/dbraw/zinc/19/49/13/170194913.db2.gz	CJQCQGNZAKYOLZ-UHFFFAOYSA-N	-1	1	299.286	0.898	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2ccccc2O)c(=O)[nH]c1=O	ZINC000108406575	411700307	/nfs/dbraw/zinc/70/03/07/411700307.db2.gz	PEUQISMLXJTXCR-UHFFFAOYSA-N	-1	1	262.221	0.140	50	0		CCAAMM
O=C([C@@H]1C[C@H]1C1CC1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000108326549	411700506	/nfs/dbraw/zinc/70/05/06/411700506.db2.gz	SVGARPXTLHEWAT-GARJFASQSA-N	-1	1	261.329	0.952	50	0		CCAAMM
CCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000067245100	175771335	/nfs/dbraw/zinc/77/13/35/175771335.db2.gz	IPOJSIGLDDKRQQ-UHFFFAOYSA-N	-1	1	261.303	0.275	50	0		CCAAMM
COc1ccc(C(=O)N2CCN[C@H](C(=O)[O-])C2)cc1OC	ZINC000071661989	176242613	/nfs/dbraw/zinc/24/26/13/176242613.db2.gz	UUDKAKGMTJCWBU-JTQLQIEISA-N	-1	1	294.307	0.202	50	0		CCAAMM
Cc1cc(C)nc(CN2Cc3[nH]cnc3C[C@@H]2C(=O)[O-])n1	ZINC000097674247	301260461	/nfs/dbraw/zinc/26/04/61/301260461.db2.gz	LZOTUDFCXFSXDU-GFCCVEGCSA-N	-1	1	287.323	0.828	50	0		CCAAMM
O=C([O-])CCCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1	ZINC000534657522	328341111	/nfs/dbraw/zinc/34/11/11/328341111.db2.gz	SPKFQHXZWANTGQ-RYUDHWBXSA-N	-1	1	284.356	0.611	50	0		CCAAMM
Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])nc(C)n1	ZINC000952989398	649615002	/nfs/dbraw/zinc/61/50/02/649615002.db2.gz	IMZVXZRRKJNZSC-NSHDSACASA-N	-1	1	289.295	0.242	50	0		CCAAMM
CCCC1(C(=O)[O-])CCN(CCS(C)(=O)=O)CC1	ZINC000062846985	820164485	/nfs/dbraw/zinc/16/44/85/820164485.db2.gz	QULUMAKFLAYTDN-UHFFFAOYSA-N	-1	1	277.386	0.998	50	0		CCAAMM
O=C([C@@H]1C[C@@H]1C1CC1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000095976981	185050813	/nfs/dbraw/zinc/05/08/13/185050813.db2.gz	SVGARPXTLHEWAT-GMTAPVOTSA-N	-1	1	261.329	0.952	50	0		CCAAMM
C[C@@H](CNC(=O)c1noc2c1CCCC2)c1nn[n-]n1	ZINC000097377517	349640055	/nfs/dbraw/zinc/64/00/55/349640055.db2.gz	AJKYCYAUQLMMDP-ZETCQYMHSA-N	-1	1	276.300	0.600	50	0		CCAAMM
O=c1cc(CCc2n[nH]c([C@@H]3CCOC3)n2)o[n-]1	ZINC000097784960	349648102	/nfs/dbraw/zinc/64/81/02/349648102.db2.gz	JFZJTPLFCAUSIQ-SSDOTTSWSA-N	-1	1	250.258	0.787	50	0		CCAAMM
O=c1cc(CCc2nc([C@@H]3CCOC3)n[nH]2)o[n-]1	ZINC000097784960	349648104	/nfs/dbraw/zinc/64/81/04/349648104.db2.gz	JFZJTPLFCAUSIQ-SSDOTTSWSA-N	-1	1	250.258	0.787	50	0		CCAAMM
COc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	ZINC000100316146	349657098	/nfs/dbraw/zinc/65/70/98/349657098.db2.gz	WWINABMEKVBWOZ-JTQLQIEISA-N	-1	1	276.248	0.483	50	0		CCAAMM
CNC(=O)CNC(=O)c1cc(Br)ccc1[O-]	ZINC000013012944	348024863	/nfs/dbraw/zinc/02/48/63/348024863.db2.gz	PBHKFAKBFHXLQW-UHFFFAOYSA-N	-1	1	287.113	0.631	50	0		CCAAMM
O=C(NC[C@H]1CCCO1)c1nc2ccccc2c(=O)[n-]1	ZINC000016648944	348050290	/nfs/dbraw/zinc/05/02/90/348050290.db2.gz	UOCGAXREDCGFGD-SECBINFHSA-N	-1	1	273.292	0.832	50	0		CCAAMM
COc1ccc(OC)c(-n2cnnc2Cc2nnn[n-]2)c1	ZINC000067641430	348779866	/nfs/dbraw/zinc/77/98/66/348779866.db2.gz	JUOMSLAHTJEKAZ-UHFFFAOYSA-N	-1	1	287.283	0.388	50	0		CCAAMM
COc1ccc(OC)c(-n2cnnc2Cc2nn[n-]n2)c1	ZINC000067641430	348779869	/nfs/dbraw/zinc/77/98/69/348779869.db2.gz	JUOMSLAHTJEKAZ-UHFFFAOYSA-N	-1	1	287.283	0.388	50	0		CCAAMM
CCCC1(CN2CCCCCC2=O)C(=O)[N-]C(=O)NC1=O	ZINC000003067459	282625046	/nfs/dbraw/zinc/62/50/46/282625046.db2.gz	JEYWCKOOXUOMAR-UHFFFAOYSA-N	-1	1	295.339	0.542	50	0		CCAAMM
O=C([O-])C[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCO1	ZINC000091293441	180124961	/nfs/dbraw/zinc/12/49/61/180124961.db2.gz	ROFRTUXMPBXHGX-SECBINFHSA-N	-1	1	290.279	0.274	50	0		CCAAMM
CC(C)CNC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000169785279	350839559	/nfs/dbraw/zinc/83/95/59/350839559.db2.gz	LYOHVLDDTPBZFN-VIFPVBQESA-N	-1	1	252.322	0.745	50	0		CCAAMM
C[C@@H](CN(C)S(=O)(=O)Cc1ccccc1)c1nn[n-]n1	ZINC000170598975	350846959	/nfs/dbraw/zinc/84/69/59/350846959.db2.gz	SUGSOIOQDWLSMJ-JTQLQIEISA-N	-1	1	295.368	0.765	50	0		CCAAMM
CN1C[C@H](CNC(=O)c2ccc([O-])cc2F)OCC1=O	ZINC000215811105	351938161	/nfs/dbraw/zinc/93/81/61/351938161.db2.gz	NCGQRJWZKCXXCA-VIFPVBQESA-N	-1	1	282.271	0.118	50	0		CCAAMM
CN1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1CO	ZINC000215886431	351938911	/nfs/dbraw/zinc/93/89/11/351938911.db2.gz	HSHJDGPFPWFCBI-JTQLQIEISA-N	-1	1	284.743	0.794	50	0		CCAAMM
Cc1cc(C)n(C[C@@H](C)NC(=O)Cc2c(C)[n-][nH]c2=O)n1	ZINC000299763506	354048537	/nfs/dbraw/zinc/04/85/37/354048537.db2.gz	XEVNXQNEAULDHW-SECBINFHSA-N	-1	1	291.355	0.572	50	0		CCAAMM
COCCCn1cnnc1CNC(=O)c1cncc([O-])c1	ZINC000584893242	359232739	/nfs/dbraw/zinc/23/27/39/359232739.db2.gz	XLXXPOPUUOPBNL-UHFFFAOYSA-N	-1	1	291.311	0.345	50	0		CCAAMM
O=C(COc1ccc(F)cc1)NCCCc1nn[n-]n1	ZINC000584901145	359241390	/nfs/dbraw/zinc/24/13/90/359241390.db2.gz	YNHICBNEFQFLGW-UHFFFAOYSA-N	-1	1	279.275	0.467	50	0		CCAAMM
COCCn1cc(S(=O)(=O)[N-]CC(F)(F)F)cn1	ZINC000288502715	197096677	/nfs/dbraw/zinc/09/66/77/197096677.db2.gz	FEKFWLZKOHSABD-UHFFFAOYSA-N	-1	1	287.263	0.370	50	0		CCAAMM
CCOC(=O)[C@@]([O-])(NC(=O)c1ccco1)C(F)(F)F	ZINC000004336772	388759438	/nfs/dbraw/zinc/75/94/38/388759438.db2.gz	ZSALGWAKELYFBY-VIFPVBQESA-N	-1	1	281.186	0.823	50	0		CCAAMM
Cc1n[nH]c(CCC(=O)N[C@@H](CC(=O)[O-])C(C)C)n1	ZINC000426707227	389677999	/nfs/dbraw/zinc/67/79/99/389677999.db2.gz	NWAMMELZFYQZIQ-VIFPVBQESA-N	-1	1	268.317	0.661	50	0		CCAAMM
Cc1nc(CCC(=O)N[C@@H](CC(=O)[O-])C(C)C)n[nH]1	ZINC000426707227	389678001	/nfs/dbraw/zinc/67/80/01/389678001.db2.gz	NWAMMELZFYQZIQ-VIFPVBQESA-N	-1	1	268.317	0.661	50	0		CCAAMM
O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1COCCO1	ZINC000585124184	390358128	/nfs/dbraw/zinc/35/81/28/390358128.db2.gz	OZNYGLIFEMZVNZ-GFCCVEGCSA-N	-1	1	289.291	0.932	50	0		CCAAMM
COCCCN1CCn2nc(CCC(=O)[O-])cc2C1	ZINC000072435561	292354163	/nfs/dbraw/zinc/35/41/63/292354163.db2.gz	OUVXLGWTXDBXTI-UHFFFAOYSA-N	-1	1	267.329	0.752	50	0		CCAAMM
CCn1c(=O)cc([O-])nc1SCC(=O)NC(C)(C)C	ZINC000008772726	170355104	/nfs/dbraw/zinc/35/51/04/170355104.db2.gz	ZGYHZNJAZPMHQD-UHFFFAOYSA-N	-1	1	285.369	0.976	50	0		CCAAMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Cl)c[nH]1	ZINC000020214194	171076701	/nfs/dbraw/zinc/07/67/01/171076701.db2.gz	NKWYAKVHVPHNOR-VIFPVBQESA-N	-1	1	282.687	0.817	50	0		CCAAMM
Cc1ccc2[nH]nc(C(=O)N3CCN[C@H](C(=O)[O-])C3)c2c1	ZINC000071756800	176260790	/nfs/dbraw/zinc/26/07/90/176260790.db2.gz	RVJCZZVQFGQHIJ-NSHDSACASA-N	-1	1	288.307	0.370	50	0		CCAAMM
O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@@H]1CNCCO1	ZINC000043800176	544430697	/nfs/dbraw/zinc/43/06/97/544430697.db2.gz	LFEYPCWENUPTMT-ZDUSSCGKSA-N	-1	1	290.319	0.652	50	0		CCAAMM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](C(=O)[O-])[NH2+]1	ZINC000001871561	574411641	/nfs/dbraw/zinc/41/16/41/574411641.db2.gz	ZWMZDKZTZLGVRQ-MWLCHTKSSA-N	-1	1	260.249	0.893	50	0	endogenous,in-man	CCAAMM
CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC000952993318	615039620	/nfs/dbraw/zinc/03/96/20/615039620.db2.gz	MPFSNZLHCAFPDM-ZETCQYMHSA-N	-1	1	275.330	0.663	50	0		CCAAMM
CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC000952993318	615039621	/nfs/dbraw/zinc/03/96/21/615039621.db2.gz	MPFSNZLHCAFPDM-ZETCQYMHSA-N	-1	1	275.330	0.663	50	0		CCAAMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C2CC2)[n-]n1	ZINC000952995374	649615315	/nfs/dbraw/zinc/61/53/15/649615315.db2.gz	JVXMPQZIPFWUTR-ZETCQYMHSA-N	-1	1	287.341	0.615	50	0		CCAAMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C2CC2)n[n-]1	ZINC000952995374	649615320	/nfs/dbraw/zinc/61/53/20/649615320.db2.gz	JVXMPQZIPFWUTR-ZETCQYMHSA-N	-1	1	287.341	0.615	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)NCc2cccnc2)n1	ZINC000002709283	347971152	/nfs/dbraw/zinc/97/11/52/347971152.db2.gz	SKDDTQYSUBWHTM-UHFFFAOYSA-N	-1	1	291.336	0.156	50	0		CCAAMM
Cc1cc(Oc2ccc(=O)n(C)n2)[n-]c(=S)n1	ZINC000002830851	347973480	/nfs/dbraw/zinc/97/34/80/347973480.db2.gz	WCADGKSZAWQDRA-UHFFFAOYSA-N	-1	1	250.283	0.960	50	0		CCAAMM
CCOC(Cc1c(N)[nH]c(=S)[n-]c1=O)OCC	ZINC000017316301	348053803	/nfs/dbraw/zinc/05/38/03/348053803.db2.gz	GKSGXTLNGDMLRR-UHFFFAOYSA-N	-1	1	259.331	0.956	50	0	in-vitro	CCAAMM
Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1Cl	ZINC000027932516	348103390	/nfs/dbraw/zinc/10/33/90/348103390.db2.gz	MPKRETBDWDGIEH-ZETCQYMHSA-N	-1	1	279.749	0.531	50	0		CCAAMM
COCCCNC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000033027633	348144253	/nfs/dbraw/zinc/14/42/53/348144253.db2.gz	MQHPAOLZLQAGHH-UHFFFAOYSA-N	-1	1	297.340	0.303	50	0		CCAAMM
CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]Cc1nnc[n-]1)C2	ZINC000067726840	348783221	/nfs/dbraw/zinc/78/32/21/348783221.db2.gz	LDRRTJZWYJBPKJ-QMMMGPOBSA-N	-1	1	290.327	0.366	50	0		CCAAMM
CN1CCC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1=O	ZINC000067921663	348790556	/nfs/dbraw/zinc/79/05/56/348790556.db2.gz	HZTLSJXHEWULNS-OAHLLOKOSA-N	-1	1	289.335	0.872	50	0		CCAAMM
CCc1n[n-]c(=S)n1CCNC(=O)c1ccn[nH]1	ZINC000076089058	349068222	/nfs/dbraw/zinc/06/82/22/349068222.db2.gz	NOSOSMNZIWLAAK-UHFFFAOYSA-N	-1	1	266.330	0.656	50	0		CCAAMM
CS(=O)(=O)CCN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000091847471	180271401	/nfs/dbraw/zinc/27/14/01/180271401.db2.gz	JTCIPOHOZAEGRD-QWHCGFSZSA-N	-1	1	297.376	0.831	50	0		CCAAMM
O=C(NCCCCO)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000092046033	180311261	/nfs/dbraw/zinc/31/12/61/180311261.db2.gz	XEXBTKSIHJQOOT-UHFFFAOYSA-N	-1	1	287.319	0.939	50	0		CCAAMM
Nc1n[nH]c(CCNC(=O)c2cc(F)ccc2[O-])n1	ZINC000219074763	351964010	/nfs/dbraw/zinc/96/40/10/351964010.db2.gz	OYUAFHTZKYUIGO-UHFFFAOYSA-N	-1	1	265.248	0.204	50	0		CCAAMM
COC(=O)[C@]([O-])(NC(=O)c1ccco1)C(F)(F)F	ZINC000004785699	284477441	/nfs/dbraw/zinc/47/74/41/284477441.db2.gz	INVLDUQKLFUXBX-MRVPVSSYSA-N	-1	1	267.159	0.433	50	0		CCAAMM
CC(=O)Nc1no[n+]([O-])c1C(=O)[N-]c1ccc(C)cc1	ZINC000001423550	388754269	/nfs/dbraw/zinc/75/42/69/388754269.db2.gz	PEGDFQXYBYENFJ-UHFFFAOYSA-N	-1	1	276.252	0.827	50	0		CCAAMM
COCCN(C)[C@H](C(=O)[O-])c1ccc(CO)cc1	ZINC000095375901	389041894	/nfs/dbraw/zinc/04/18/94/389041894.db2.gz	VLTXNPBSWNUEQC-LBPRGKRZSA-N	-1	1	253.298	0.883	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)C1Cc2ccccc2C1	ZINC000426505895	389670043	/nfs/dbraw/zinc/67/00/43/389670043.db2.gz	UBGNOKVRSIOPHC-UHFFFAOYSA-N	-1	1	271.324	0.664	50	0		CCAAMM
COc1cc(=O)[n-]c(SCC(=O)N2CCCCC2)n1	ZINC000005610956	170119523	/nfs/dbraw/zinc/11/95/23/170119523.db2.gz	PXQUUKMFPVFSSZ-UHFFFAOYSA-N	-1	1	283.353	0.883	50	0		CCAAMM
O=C([O-])[C@H]1CCCCN1Cc1oc(CO)cc(=O)c1O	ZINC000008879927	170358285	/nfs/dbraw/zinc/35/82/85/170358285.db2.gz	MLJPMOLVGCPNJH-SECBINFHSA-N	-1	1	283.280	0.277	50	0	biogenic	CCAAMM
COc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	ZINC000009190224	170365741	/nfs/dbraw/zinc/36/57/41/170365741.db2.gz	AWZKCESHGSPLKG-UHFFFAOYSA-N	-1	1	276.248	0.443	50	0		CCAAMM
CCOC(=O)c1nc2nc(C)c(Cl)c(=O)n2[n-]1	ZINC000018152517	170743982	/nfs/dbraw/zinc/74/39/82/170743982.db2.gz	SNIHXKPVRBHTQC-UHFFFAOYSA-N	-1	1	256.649	0.968	50	0		CCAAMM
C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H]1CCCO1	ZINC000028326120	171556627	/nfs/dbraw/zinc/55/66/27/171556627.db2.gz	LEZMEBGEAWKHFN-SFYZADRCSA-N	-1	1	293.776	0.919	50	0		CCAAMM
O=C([O-])[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1	ZINC000071747993	176259173	/nfs/dbraw/zinc/25/91/73/176259173.db2.gz	WJKUFBDSFUYJKE-CYBMUJFWSA-N	-1	1	287.319	0.595	50	0		CCAAMM
CC(=O)N1CCC[C@@H](CNC(=O)c2ccncc2[O-])C1	ZINC000222221347	544819691	/nfs/dbraw/zinc/81/96/91/544819691.db2.gz	SBQMOIRZCWKXIU-NSHDSACASA-N	-1	1	277.324	0.776	50	0		CCAAMM
O=C([O-])[C@H]1[C@@H]2CN(Cc3cnc(N4CCCC4)nc3)C[C@@H]21	ZINC000534639322	328335245	/nfs/dbraw/zinc/33/52/45/328335245.db2.gz	JQHABHVLVWYWLZ-ITGUQSILSA-N	-1	1	288.351	0.839	50	0		CCAAMM
CC[C@H](NC(=O)NCc1nn[n-]n1)c1nc(C)c[nH]1	ZINC000670469142	545237056	/nfs/dbraw/zinc/23/70/56/545237056.db2.gz	JFVASZMLWVCILN-ZETCQYMHSA-N	-1	1	264.293	0.182	50	0		CCAAMM
CN1CCc2c(sc3[nH]cc4c(=O)[n-]c(=O)nc-4c23)C1	ZINC000020638426	625294837	/nfs/dbraw/zinc/29/48/37/625294837.db2.gz	SLLZIXOICWPFFT-UHFFFAOYSA-N	-1	1	288.332	0.814	50	0		CCAAMM
Cc1nc(N)nc(N[C@@H]2CCCOC2)c1CCC(=O)[O-]	ZINC000095366862	649756041	/nfs/dbraw/zinc/75/60/41/649756041.db2.gz	UCMBECCTCQHTGL-SECBINFHSA-N	-1	1	280.328	0.975	50	0		CCAAMM
NC(=O)COC(=O)c1ccc(Br)c([O-])c1	ZINC000095432689	349611276	/nfs/dbraw/zinc/61/12/76/349611276.db2.gz	MWBOZXRAHNIASV-UHFFFAOYSA-N	-1	1	274.070	0.797	50	0		CCAAMM
O=C([O-])C[C@H]1COCCN1CCCn1cccn1	ZINC000097514301	349642382	/nfs/dbraw/zinc/64/23/82/349642382.db2.gz	PSLJKXNXCDVWMF-NSHDSACASA-N	-1	1	253.302	0.449	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2ccc(C)cc2)c(=O)[nH]c1=O	ZINC000100316158	349657231	/nfs/dbraw/zinc/65/72/31/349657231.db2.gz	FRZIVNBKKWBHHE-JTQLQIEISA-N	-1	1	260.249	0.783	50	0		CCAAMM
CC(=O)c1cc2c(cc1[N-]S(C)(=O)=O)OCO2	ZINC000000414572	347946903	/nfs/dbraw/zinc/94/69/03/347946903.db2.gz	BKCUIUKQBQWGPL-UHFFFAOYSA-N	-1	1	257.267	0.989	50	0		CCAAMM
Cc1[nH]n(-c2ccc(C(=O)[O-])cc2)c(=O)c1CCO	ZINC000003883698	347987098	/nfs/dbraw/zinc/98/70/98/347987098.db2.gz	BCBQTDQZKWLDJB-UHFFFAOYSA-N	-1	1	262.265	0.707	50	0		CCAAMM
CNC(=O)c1n[nH]nc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000004499982	347996057	/nfs/dbraw/zinc/99/60/57/347996057.db2.gz	DDJUPLIIPXIKNM-UHFFFAOYSA-N	-1	1	295.324	0.274	50	0		CCAAMM
C[C@H](Cc1cnccn1)NC(=O)c1ccncc1[O-]	ZINC000215951171	351938606	/nfs/dbraw/zinc/93/86/06/351938606.db2.gz	PQMCXBKXADSEMN-SECBINFHSA-N	-1	1	258.281	0.938	50	0		CCAAMM
COCCCn1cnnc1CNC(=O)c1ncccc1[O-]	ZINC000299793022	354053677	/nfs/dbraw/zinc/05/36/77/354053677.db2.gz	IQLFFCIWYMSMOA-UHFFFAOYSA-N	-1	1	291.311	0.345	50	0		CCAAMM
O=C(NCc1nc2ccc(F)cc2[nH]1)c1n[nH]c(=O)[n-]1	ZINC000530642722	358413404	/nfs/dbraw/zinc/41/34/04/358413404.db2.gz	WWBXOEOWFDMLAO-UHFFFAOYSA-N	-1	1	276.231	0.456	50	0		CCAAMM
O=C(c1ccc(-n2cnnn2)cc1[O-])N1CCSCC1	ZINC000041128080	388863004	/nfs/dbraw/zinc/86/30/04/388863004.db2.gz	DWLRIHXRFZAIKO-UHFFFAOYSA-N	-1	1	291.336	0.557	50	0		CCAAMM
Cc1nonc1CN1Cc2[nH]cnc2C[C@H]1C(=O)[O-]	ZINC000097594912	389068198	/nfs/dbraw/zinc/06/81/98/389068198.db2.gz	COIAXTYKJXSUNM-JTQLQIEISA-N	-1	1	263.257	0.113	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)c1cc(Cl)c[nH]1	ZINC000426552327	389672688	/nfs/dbraw/zinc/67/26/88/389672688.db2.gz	LEDOQPIIIJWLRT-UHFFFAOYSA-N	-1	1	254.681	0.544	50	0		CCAAMM
CN1CCCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1	ZINC000034926445	397375583	/nfs/dbraw/zinc/37/55/83/397375583.db2.gz	DQYGRMHIKHASHW-VHSXEESVSA-N	-1	1	254.330	0.507	50	0		CCAAMM
O=C([O-])[C@@H]1CCCCN1Cc1oc(CO)cc(=O)c1O	ZINC000008879929	170358024	/nfs/dbraw/zinc/35/80/24/170358024.db2.gz	MLJPMOLVGCPNJH-VIFPVBQESA-N	-1	1	283.280	0.277	50	0	biogenic	CCAAMM
O=C(NCc1cccnc1)c1c([O-])nc2ccccn2c1=O	ZINC000009830217	170386579	/nfs/dbraw/zinc/38/65/79/170386579.db2.gz	DUBVCIJNOVVQQB-UHFFFAOYSA-N	-1	1	296.286	0.725	50	0		CCAAMM
Cn1cnc(S(=O)(=O)[N-]Cc2ccccn2)c1Cl	ZINC000027934374	171539940	/nfs/dbraw/zinc/53/99/40/171539940.db2.gz	INGCQVBHAUTFKS-UHFFFAOYSA-N	-1	1	286.744	0.947	50	0		CCAAMM
O=C([O-])[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)CCN1	ZINC000071416217	176160608	/nfs/dbraw/zinc/16/06/08/176160608.db2.gz	UFAZCTIEJRSJSO-VIFPVBQESA-N	-1	1	279.321	0.728	50	0		CCAAMM
CN(CC(=O)[O-])c1ncc(CN(C)[C@H]2CC[N@@H+](C)C2)cn1	ZINC000534670863	328347250	/nfs/dbraw/zinc/34/72/50/328347250.db2.gz	LMRMAFOSINQZGF-LBPRGKRZSA-N	-1	1	293.371	0.133	50	0		CCAAMM
CCc1noc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(C)n2)n1	ZINC000670454437	545236061	/nfs/dbraw/zinc/23/60/61/545236061.db2.gz	AELZRTDDSVCDJS-ZETCQYMHSA-N	-1	1	299.356	0.713	50	0		CCAAMM
COc1ccc2nc(CNC(=O)N[C@H](C)C(=O)[O-])[nH]c2c1	ZINC000952986790	617287802	/nfs/dbraw/zinc/28/78/02/617287802.db2.gz	GJWUFSSWAHKPNO-SSDOTTSWSA-N	-1	1	292.295	0.844	50	0		CCAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1c1ncnc2nc[nH]c21	ZINC000095529161	649763016	/nfs/dbraw/zinc/76/30/16/649763016.db2.gz	VLBFMFYEDCZTKP-MRVPVSSYSA-N	-1	1	285.267	0.092	50	0		CCAAMM
Cc1cc(C(=O)N2CC(n3cncn3)C2)cc(C=O)c1[O-]	ZINC000952877181	841581083	/nfs/dbraw/zinc/58/10/83/841581083.db2.gz	MFGWGKDSKHCIPX-UHFFFAOYSA-N	-1	1	286.291	0.802	50	0		CCAAMM
Cc1ccc(-c2cc(C(=O)NCc3nn[n-]n3)[nH]n2)o1	ZINC000097413298	349640548	/nfs/dbraw/zinc/64/05/48/349640548.db2.gz	BGRQTFMFLJVDDB-UHFFFAOYSA-N	-1	1	273.256	0.421	50	0		CCAAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3cccs3)C2)c1=O	ZINC000101763728	349669388	/nfs/dbraw/zinc/66/93/88/349669388.db2.gz	BTTMAIJMVTYLGI-LURJTMIESA-N	-1	1	292.320	0.279	50	0		CCAAMM
Cc1cccc(C(=O)N2CCN(CC(=O)[O-])CC2)c1	ZINC000002456605	347967035	/nfs/dbraw/zinc/96/70/35/347967035.db2.gz	PMAPGDUOMFOLPL-UHFFFAOYSA-N	-1	1	262.309	0.837	50	0		CCAAMM
Cc1cc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)n[nH]1	ZINC000000357667	347944830	/nfs/dbraw/zinc/94/48/30/347944830.db2.gz	DLBRBSASFIOHFJ-UHFFFAOYSA-N	-1	1	270.248	0.659	50	0		CCAAMM
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(N)cc(=O)[n-]2)C1	ZINC000013598454	348028484	/nfs/dbraw/zinc/02/84/84/348028484.db2.gz	ASCWPLGREFNBDI-RKDXNWHRSA-N	-1	1	296.396	0.949	50	0		CCAAMM
O=C1C=CC(=O)N1Nc1[n-]c(=O)nc2ccccc21	ZINC000014187838	348033556	/nfs/dbraw/zinc/03/35/56/348033556.db2.gz	XRCJUXWAVOJRBO-UHFFFAOYSA-N	-1	1	256.221	0.175	50	0		CCAAMM
COc1cc(C(=O)NN2CC(=O)[N-]C2=O)cc(OC)c1C	ZINC000029018151	348109381	/nfs/dbraw/zinc/10/93/81/348109381.db2.gz	XRTPZZPWXQJGLH-UHFFFAOYSA-N	-1	1	293.279	0.209	50	0		CCAAMM
CO[C@@H](C)C(=O)NCCc1n[n-]c(=S)n1C1CC1	ZINC000067079706	348766480	/nfs/dbraw/zinc/76/64/80/348766480.db2.gz	UHRGUXIZZLNTAO-ZETCQYMHSA-N	-1	1	270.358	0.969	50	0		CCAAMM
O=C([O-])C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1	ZINC000001926516	388755687	/nfs/dbraw/zinc/75/56/87/388755687.db2.gz	CVVHUAIMEICGSA-CYBMUJFWSA-N	-1	1	274.320	0.429	50	0		CCAAMM
COc1ccc(C(=O)C=C(O)C(=O)[O-])cc1OC	ZINC000012371186	388782232	/nfs/dbraw/zinc/78/22/32/388782232.db2.gz	VIKSEMHMAJEIDY-UHFFFAOYSA-N	-1	1	252.222	0.930	50	0		CCAAMM
COc1ccc(-n2nc(C=O)c(=O)cc2[O-])cc1OC	ZINC000073648013	388978648	/nfs/dbraw/zinc/97/86/48/388978648.db2.gz	RDFKEHARSXZYCS-UHFFFAOYSA-N	-1	1	276.248	0.768	50	0		CCAAMM
O=C(Nc1nn[n-]n1)c1cc(-c2ccc3c(c2)CCO3)[nH]n1	ZINC000096117868	389045155	/nfs/dbraw/zinc/04/51/55/389045155.db2.gz	WTHPJJRVGNRPQZ-UHFFFAOYSA-N	-1	1	297.278	0.777	50	0		CCAAMM
COc1cccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)c1	ZINC000005244576	170078877	/nfs/dbraw/zinc/07/88/77/170078877.db2.gz	WAPWOFIFYOQULN-UHFFFAOYSA-N	-1	1	276.248	0.443	50	0		CCAAMM
CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000035597400	172287297	/nfs/dbraw/zinc/28/72/97/172287297.db2.gz	ZJZYIPGUNJRZQL-UHFFFAOYSA-N	-1	1	258.299	0.422	50	0		CCAAMM
Cc1ccc(C(=O)N2CCN[C@@H](C(=O)[O-])C2)c(O)c1	ZINC000071747113	176258691	/nfs/dbraw/zinc/25/86/91/176258691.db2.gz	KYWWFGLBCXHNCA-SNVBAGLBSA-N	-1	1	264.281	0.199	50	0		CCAAMM
CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000092045607	544529104	/nfs/dbraw/zinc/52/91/04/544529104.db2.gz	AAKYNQMNXQJNAM-QWHCGFSZSA-N	-1	1	276.336	0.875	50	0		CCAAMM
CCc1nc(SCc2cc(=O)n3nc[n-]c3n2)n[nH]1	ZINC000102621357	544557783	/nfs/dbraw/zinc/55/77/83/544557783.db2.gz	PKGWDVXBWNCKLP-UHFFFAOYSA-N	-1	1	277.313	0.390	50	0		CCAAMM
CCc1n[nH]c(SCc2cc(=O)n3nc[n-]c3n2)n1	ZINC000102621357	544557792	/nfs/dbraw/zinc/55/77/92/544557792.db2.gz	PKGWDVXBWNCKLP-UHFFFAOYSA-N	-1	1	277.313	0.390	50	0		CCAAMM
Cc1cc(C)nc(N2CCN(CCC(=O)[O-])CC2)n1	ZINC000004943302	278681994	/nfs/dbraw/zinc/68/19/94/278681994.db2.gz	YIIHMXQNAYXTML-UHFFFAOYSA-N	-1	1	264.329	0.690	50	0		CCAAMM
CCc1nc(CN2Cc3[nH]cnc3C[C@@H]2C(=O)[O-])no1	ZINC000534588259	328316495	/nfs/dbraw/zinc/31/64/95/328316495.db2.gz	HFVCTFOAAIAARO-SECBINFHSA-N	-1	1	277.284	0.367	50	0		CCAAMM
CCCCc1ncc(CNCc2n[nH]c(=O)[n-]2)[nH]1	ZINC000952967623	614490985	/nfs/dbraw/zinc/49/09/85/614490985.db2.gz	BFCDNCOPPCWULB-UHFFFAOYSA-N	-1	1	250.306	0.866	50	0		CCAAMM
CCN1CCN(CC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	ZINC000952977726	615154723	/nfs/dbraw/zinc/15/47/23/615154723.db2.gz	USJNYRQEEOFCCG-UHFFFAOYSA-N	-1	1	297.399	0.337	50	0		CCAAMM
Cn1ncc2c1[n-]cc(C(=O)NC1CCOCC1)c2=O	ZINC000179440530	625342317	/nfs/dbraw/zinc/34/23/17/625342317.db2.gz	QUAUYOZUAUIHOM-UHFFFAOYSA-N	-1	1	276.296	0.583	50	0		CCAAMM
Cc1cccc(Cn2c(Cc3nn[n-]n3)n[nH]c2=O)c1	ZINC000065432895	822285764	/nfs/dbraw/zinc/28/57/64/822285764.db2.gz	OVCMGMFNYNDMQH-UHFFFAOYSA-N	-1	1	271.284	0.032	50	0		CCAAMM
O=C(Nc1ccc(Oc2nnn[n-]2)cc1)c1c[nH]cn1	ZINC000952861706	841572325	/nfs/dbraw/zinc/57/23/25/841572325.db2.gz	INVZCFWXSOVJEU-UHFFFAOYSA-N	-1	1	271.240	0.967	50	0		CCAAMM
O=C(Nc1ccc(Oc2nn[n-]n2)cc1)c1c[nH]cn1	ZINC000952861706	841572338	/nfs/dbraw/zinc/57/23/38/841572338.db2.gz	INVZCFWXSOVJEU-UHFFFAOYSA-N	-1	1	271.240	0.967	50	0		CCAAMM
CCOC(=O)c1nnsc1NC(=O)C(C(C)=O)=C(C)[O-]	ZINC000101376895	349662090	/nfs/dbraw/zinc/66/20/90/349662090.db2.gz	QKLFDGQTEAGBJA-UHFFFAOYSA-N	-1	1	299.308	0.448	50	0		CCAAMM
Cn1c([O-])cc(=O)c2cccc(OC[C@H](O)C(C)(C)O)c21	ZINC000001280172	347954222	/nfs/dbraw/zinc/95/42/22/347954222.db2.gz	WJEIDEFTSKCCHI-LBPRGKRZSA-N	-1	1	293.319	0.755	50	0		CCAAMM
CCOC(=O)c1cnc(N2CCCCC2)[n-]c1=O	ZINC000013483872	348026663	/nfs/dbraw/zinc/02/66/63/348026663.db2.gz	ZFXRWQJOGNFOMI-UHFFFAOYSA-N	-1	1	251.286	0.937	50	0		CCAAMM
CC(C)CCC1(CN2CCCC2=O)C(=O)[N-]C(=O)NC1=O	ZINC000017056324	348053031	/nfs/dbraw/zinc/05/30/31/348053031.db2.gz	KIXLLUDDWPPWIW-UHFFFAOYSA-N	-1	1	295.339	0.397	50	0		CCAAMM
CNC(=O)[C@H]1CCCCN1C(=O)c1ncccc1[O-]	ZINC000042425267	348279525	/nfs/dbraw/zinc/27/95/25/348279525.db2.gz	WIRCQBGFVSQTCQ-SECBINFHSA-N	-1	1	263.297	0.528	50	0		CCAAMM
CCN(Cc1nc(COC)no1)C(=O)c1ncccc1[O-]	ZINC000055341303	348576140	/nfs/dbraw/zinc/57/61/40/348576140.db2.gz	FCRFYBNHJUERQA-UHFFFAOYSA-N	-1	1	292.295	0.979	50	0		CCAAMM
O=C(c1cnc(-c2ccccc2)[n-]c1=O)N1CCNC(=O)C1	ZINC000091536972	180181903	/nfs/dbraw/zinc/18/19/03/180181903.db2.gz	OOXKWYKMZSKJEZ-UHFFFAOYSA-N	-1	1	298.302	0.009	50	0		CCAAMM
CN(Cc1[nH]c(=O)[nH]c1C(=O)[O-])C[C@H]1CCCCO1	ZINC000215605780	351936444	/nfs/dbraw/zinc/93/64/44/351936444.db2.gz	FWKXOVVWQVBGJT-MRVPVSSYSA-N	-1	1	269.301	0.402	50	0		CCAAMM
CCCNc1ncc(CN2CC[N@@H+](C)[C@@H](C(=O)[O-])C2)cn1	ZINC000216358739	351941447	/nfs/dbraw/zinc/94/14/47/351941447.db2.gz	KOMOOYPSFZHNLC-GFCCVEGCSA-N	-1	1	293.371	0.499	50	0		CCAAMM
CCNC(=O)N1CCC(NC(=O)c2ccc([O-])cn2)CC1	ZINC000299788514	354052773	/nfs/dbraw/zinc/05/27/73/354052773.db2.gz	UKFNXYQCJFZPMY-UHFFFAOYSA-N	-1	1	292.339	0.711	50	0		CCAAMM
O=c1c2cccc(F)c2ncn1CCCc1nn[n-]n1	ZINC000584898091	359238437	/nfs/dbraw/zinc/23/84/37/359238437.db2.gz	PFFHBVWGJFFIPF-UHFFFAOYSA-N	-1	1	274.259	0.682	50	0		CCAAMM
O=C(c1cncc([O-])c1)N1CCN(C(=O)C2CCC2)CC1	ZINC000584901150	359242054	/nfs/dbraw/zinc/24/20/54/359242054.db2.gz	GXKDTJATDIZNAW-UHFFFAOYSA-N	-1	1	289.335	0.872	50	0		CCAAMM
[NH3+][C@@](CC[P@](=O)([O-])O)(Cc1ccccc1)C(=O)[O-]	ZINC000020112460	388794746	/nfs/dbraw/zinc/79/47/46/388794746.db2.gz	ISDPXZKXSZVIEF-NSHDSACASA-N	-1	1	273.225	0.579	50	0	biogenic	CCAAMM
CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)COC)n[n-]1	ZINC000408515230	389372470	/nfs/dbraw/zinc/37/24/70/389372470.db2.gz	LBARUQCXSAOUHY-SECBINFHSA-N	-1	1	298.343	0.831	50	0		CCAAMM
CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)COC)[n-]1	ZINC000408515230	389372475	/nfs/dbraw/zinc/37/24/75/389372475.db2.gz	LBARUQCXSAOUHY-SECBINFHSA-N	-1	1	298.343	0.831	50	0		CCAAMM
CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)COC)n1	ZINC000408515230	389372480	/nfs/dbraw/zinc/37/24/80/389372480.db2.gz	LBARUQCXSAOUHY-SECBINFHSA-N	-1	1	298.343	0.831	50	0		CCAAMM
CS(=O)(=O)[N-]c1ccc(-c2cncnc2)cn1	ZINC000374071904	389542553	/nfs/dbraw/zinc/54/25/53/389542553.db2.gz	KXFQDNYCTNVXDI-UHFFFAOYSA-N	-1	1	250.283	0.910	50	0		CCAAMM
CCOC(=O)c1n[nH]c([C@H](C)N=c2nc(CC)[n-]s2)n1	ZINC000585092893	390357039	/nfs/dbraw/zinc/35/70/39/390357039.db2.gz	SQZISDVHCQJPRZ-LURJTMIESA-N	-1	1	296.356	0.990	50	0		CCAAMM
Cn1c2ccc(CNn3cn[n-]c3=S)cc2n(C)c1=O	ZINC000007602021	170292889	/nfs/dbraw/zinc/29/28/89/170292889.db2.gz	YYCJRETWEREVOS-UHFFFAOYSA-N	-1	1	290.352	0.875	50	0		CCAAMM
O=c1cc(CN2CCNC(=O)C2)c2ccc([O-])cc2o1	ZINC000016585528	170703166	/nfs/dbraw/zinc/70/31/66/170703166.db2.gz	ODAPSZPYLJCVCA-UHFFFAOYSA-N	-1	1	274.276	0.430	50	0		CCAAMM
CC(C)CNC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000021807832	171328286	/nfs/dbraw/zinc/32/82/86/171328286.db2.gz	ZBHYVCHOFYVLDP-UHFFFAOYSA-N	-1	1	281.341	0.923	50	0		CCAAMM
O=C([O-])CC1CCN(CC(=O)N2CCCC2)CC1	ZINC000035605669	172292747	/nfs/dbraw/zinc/29/27/47/172292747.db2.gz	BVCSBZHRRSSCER-UHFFFAOYSA-N	-1	1	254.330	0.796	50	0		CCAAMM
O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@H]1CNCCO1	ZINC000043800178	544430888	/nfs/dbraw/zinc/43/08/88/544430888.db2.gz	LFEYPCWENUPTMT-CYBMUJFWSA-N	-1	1	290.319	0.652	50	0		CCAAMM
O=C([O-])C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1	ZINC000091846055	544529715	/nfs/dbraw/zinc/52/97/15/544529715.db2.gz	AOUOQTUQXLONET-VHSXEESVSA-N	-1	1	293.275	0.600	50	0		CCAAMM
COc1cc2c(cc1/C=C1\NC(=S)[N-]C1=O)OCO2	ZINC000027830271	277391232	/nfs/dbraw/zinc/39/12/32/277391232.db2.gz	BYPXZUXELXOYPU-UQCOIBPSSA-N	-1	1	278.289	0.769	50	0		CCAAMM
CN(Cc1cnc(NCC(=O)[O-])nc1)CC1(C)COC1	ZINC000534577604	328310498	/nfs/dbraw/zinc/31/04/98/328310498.db2.gz	DCPPWYDJOJNISM-UHFFFAOYSA-N	-1	1	280.328	0.441	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCC2CC2)o1	ZINC000032914438	326898074	/nfs/dbraw/zinc/89/80/74/326898074.db2.gz	HGJHUZFSOOJVLQ-UHFFFAOYSA-N	-1	1	258.299	0.328	50	0		CCAAMM
CO[C@H]1COC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1[O-]	ZINC000670450288	545235905	/nfs/dbraw/zinc/23/59/05/545235905.db2.gz	DYCVURDDZPQZLY-AAEUAGOBSA-N	-1	1	294.307	0.494	50	0		CCAAMM
CC1CC(=O)C(C(=O)CC2CC(=O)NC(=O)C2)=C([O-])C1	ZINC000102602769	623250330	/nfs/dbraw/zinc/25/03/30/623250330.db2.gz	GCGBPTWYQCZHOJ-UHFFFAOYSA-N	-1	1	279.292	0.183	50	0		CCAAMM
O=C(c1ccccc1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC000585079710	839578313	/nfs/dbraw/zinc/57/83/13/839578313.db2.gz	VIJCILLZHPOPSP-UHFFFAOYSA-N	-1	1	273.296	0.324	50	0		CCAAMM
COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(=O)[O-]	ZINC000000859067	347952505	/nfs/dbraw/zinc/95/25/05/347952505.db2.gz	KOWCWWKYFNAVAK-XBXARRHUSA-N	-1	1	292.247	0.339	50	0		CCAAMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]	ZINC000001637998	347958723	/nfs/dbraw/zinc/95/87/23/347958723.db2.gz	UYKREHOKELZSPB-SNVBAGLBSA-N	-1	1	261.281	0.239	50	0	endogenous,in-man	CCAAMM
CCCCC1(CN2CCCC2=O)C(=O)[N-]C(=O)NC1=O	ZINC000001826536	347962860	/nfs/dbraw/zinc/96/28/60/347962860.db2.gz	OYDKEZHGVJMVHT-UHFFFAOYSA-N	-1	1	281.312	0.151	50	0		CCAAMM
CCOC(=O)[C@]([O-])(NC(=O)c1ccncc1)C(F)(F)F	ZINC000003668055	347985771	/nfs/dbraw/zinc/98/57/71/347985771.db2.gz	DCDHOPQGIBUGMV-SNVBAGLBSA-N	-1	1	292.213	0.625	50	0		CCAAMM
Cc1noc(C[N-]S(=O)(=O)c2cccs2)n1	ZINC000042383343	348277253	/nfs/dbraw/zinc/27/72/53/348277253.db2.gz	OITRVLVHVVOMRG-UHFFFAOYSA-N	-1	1	259.312	0.918	50	0		CCAAMM
CC(=O)N1CCN(Cc2ccccc2C(=O)[O-])C[C@@H](O)C1	ZINC000091973918	180297019	/nfs/dbraw/zinc/29/70/19/180297019.db2.gz	YENGZOJBJHZWAC-CYBMUJFWSA-N	-1	1	292.335	0.410	50	0		CCAAMM
COc1cc2[nH]c(=O)c(C(=O)[O-])c(O)c2cc1OC	ZINC000145026222	350464943	/nfs/dbraw/zinc/46/49/43/350464943.db2.gz	AFNSAJUZUQEDSO-UHFFFAOYSA-N	-1	1	265.221	0.949	50	0		CCAAMM
O=C(CCC(=O)c1ccccc1)NCc1nc(=O)[n-][nH]1	ZINC000216516911	351943196	/nfs/dbraw/zinc/94/31/96/351943196.db2.gz	SFRTXWPFDLDWJW-UHFFFAOYSA-N	-1	1	274.280	0.377	50	0		CCAAMM
CC(C)N1C[C@@H](CNC(=O)c2ccc([O-])cn2)CC1=O	ZINC000221335497	351977712	/nfs/dbraw/zinc/97/77/12/351977712.db2.gz	UCCMENWPQXRXBW-SNVBAGLBSA-N	-1	1	277.324	0.774	50	0		CCAAMM
COCC[C@H]1CN(C(=O)c2cncc([O-])c2)CCO1	ZINC000584886458	359226390	/nfs/dbraw/zinc/22/63/90/359226390.db2.gz	VHQRBKKEKLKOSF-LBPRGKRZSA-N	-1	1	266.297	0.665	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)c1cnc(C2CC2)nc1	ZINC000584900239	359240731	/nfs/dbraw/zinc/24/07/31/359240731.db2.gz	GRHZZSFCMIACAT-UHFFFAOYSA-N	-1	1	273.300	0.230	50	0		CCAAMM
COc1cccc(/C=C2/NC(=S)[N-]C2=O)c1O	ZINC000012590977	388785395	/nfs/dbraw/zinc/78/53/95/388785395.db2.gz	BXSAFOKCMAPIMY-FNORWQNLSA-N	-1	1	250.279	0.746	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)N[C@@H](CO)c1ccccc1	ZINC000426412318	389665650	/nfs/dbraw/zinc/66/56/50/389665650.db2.gz	BOJUOHQXSMEXDI-NSHDSACASA-N	-1	1	290.327	0.165	50	0		CCAAMM
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](c1nnc[nH]1)c1ccccc1	ZINC000647741407	390155392	/nfs/dbraw/zinc/15/53/92/390155392.db2.gz	FVVVGZWXKKVIML-MXWKQRLJSA-N	-1	1	286.291	0.731	50	0		CCAAMM
Cc1cc(NC(=O)C2CC2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007418650	170284171	/nfs/dbraw/zinc/28/41/71/170284171.db2.gz	PBGQCHVYORXQKF-UHFFFAOYSA-N	-1	1	273.296	0.921	50	0		CCAAMM
C[C@@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)[O-])CC1	ZINC000035687296	172354810	/nfs/dbraw/zinc/35/48/10/172354810.db2.gz	GMAAXOBBQMWPMZ-LBPRGKRZSA-N	-1	1	297.399	0.526	50	0		CCAAMM
CN(C)S(=O)(=O)[N-]c1ccn(CC(F)F)n1	ZINC000079014699	177415380	/nfs/dbraw/zinc/41/53/80/177415380.db2.gz	JNFXVHQUEYBTAI-UHFFFAOYSA-N	-1	1	254.262	0.367	50	0		CCAAMM
O=C([O-])[C@H]1[C@@H]2CN(CC(=O)NCCc3ccccc3)C[C@@H]21	ZINC000534587177	328315796	/nfs/dbraw/zinc/31/57/96/328315796.db2.gz	RGVFDPNTGKCRFS-NHAGDIPZSA-N	-1	1	288.347	0.608	50	0		CCAAMM
CCN1CCN(CC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	ZINC000737116004	581910267	/nfs/dbraw/zinc/91/02/67/581910267.db2.gz	RPMDFYIUVXUDAJ-GFCCVEGCSA-N	-1	1	283.372	0.090	50	0		CCAAMM
CC(=O)NCc1cc(=O)[n-]c(COc2ccccc2)n1	ZINC000023478356	623476775	/nfs/dbraw/zinc/47/67/75/623476775.db2.gz	JTYWIIIBLWXXEY-UHFFFAOYSA-N	-1	1	273.292	0.985	50	0		CCAAMM
Cc1cc(C)n(C[C@@H](C)NCc2n[nH]c(=O)[n-]2)n1	ZINC000821508343	821464334	/nfs/dbraw/zinc/46/43/34/821464334.db2.gz	KMZQIVIPPPSSJV-MRVPVSSYSA-N	-1	1	250.306	0.502	50	0		CCAAMM
Cn1ccnc1C(=O)NCCc1n[n-]c(=S)n1C1CC1	ZINC000096448253	230375299	/nfs/dbraw/zinc/37/52/99/230375299.db2.gz	XLUCBKRAOZZGOR-UHFFFAOYSA-N	-1	1	292.368	0.982	50	0		CCAAMM
COc1ccc(-c2cc(C(=O)Nc3nn[n-]n3)n[nH]2)cc1	ZINC000095480563	349614997	/nfs/dbraw/zinc/61/49/97/349614997.db2.gz	MDZAMVUECTXIJK-UHFFFAOYSA-N	-1	1	285.267	0.851	50	0		CCAAMM
C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)c1nn[n-]n1	ZINC000097377511	349640188	/nfs/dbraw/zinc/64/01/88/349640188.db2.gz	ZAMYWFYWNKQLCR-MRVPVSSYSA-N	-1	1	292.318	0.938	50	0		CCAAMM
O=C(CCc1[nH]nc2c1CCCC2)NCc1nn[n-]n1	ZINC000097815410	349649388	/nfs/dbraw/zinc/64/93/88/349649388.db2.gz	SCXLLGRFMGTFTP-UHFFFAOYSA-N	-1	1	275.316	0.051	50	0		CCAAMM
O=C1CCCCCN1C[P@@](=O)([O-])CN1CCOCC1	ZINC000000062008	347937971	/nfs/dbraw/zinc/93/79/71/347937971.db2.gz	SMMWWVFZSNSLIF-UHFFFAOYSA-N	-1	1	290.300	0.907	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)N2CCCCCC2)n1	ZINC000016051172	348044141	/nfs/dbraw/zinc/04/41/41/348044141.db2.gz	XIYXXNCUDCMMMZ-UHFFFAOYSA-N	-1	1	282.369	0.847	50	0		CCAAMM
COc1ccccc1[C@@H]1C[N@@H+](CC(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000091604359	180203445	/nfs/dbraw/zinc/20/34/45/180203445.db2.gz	PJJHOSSKXYOXRP-WDEREUQCSA-N	-1	1	279.292	0.880	50	0		CCAAMM
C[C@H](O)CNC(=O)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000092028502	180309698	/nfs/dbraw/zinc/30/96/98/180309698.db2.gz	SURMEXMMHAGKPH-VIFPVBQESA-N	-1	1	273.292	0.548	50	0		CCAAMM
CSCc1noc(CNC(=O)c2ccc([O-])cn2)n1	ZINC000223759196	351990450	/nfs/dbraw/zinc/99/04/50/351990450.db2.gz	LKHBRMLHCPCYNT-UHFFFAOYSA-N	-1	1	280.309	0.963	50	0		CCAAMM
CCC1(C(=O)[O-])CCN(C(=O)c2[nH]nnc2C)CC1	ZINC000299755770	354047451	/nfs/dbraw/zinc/04/74/51/354047451.db2.gz	CSRHWLMQBIEHDQ-UHFFFAOYSA-N	-1	1	266.301	0.830	50	0		CCAAMM
CSCC[C@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-]	ZINC000037431240	256856608	/nfs/dbraw/zinc/85/66/08/256856608.db2.gz	UJNNELASOOMKJC-VIFPVBQESA-N	-1	1	294.336	0.894	50	0		CCAAMM
O=c1[nH]c(C[P@@](=O)([O-])O)nc2ccc(F)cc12	ZINC000012409188	388783505	/nfs/dbraw/zinc/78/35/05/388783505.db2.gz	RVRGDVHAOUINDM-UHFFFAOYSA-N	-1	1	258.145	0.740	50	0		CCAAMM
O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ncccc1[O-]	ZINC000072149228	388959726	/nfs/dbraw/zinc/95/97/26/388959726.db2.gz	KIGVBXRYANKNAO-LLVKDONJSA-N	-1	1	299.334	0.976	50	0		CCAAMM
Cc1cc2nc(CCC(=O)NCc3nn[n-]n3)[nH]c2cc1C	ZINC000426477278	389668011	/nfs/dbraw/zinc/66/80/11/389668011.db2.gz	VBFYOYPODSCLPP-UHFFFAOYSA-N	-1	1	299.338	0.942	50	0		CCAAMM
Cc1[nH]nc(CCC(=O)N2CC=C[C@@H]2C(=O)[O-])c1C	ZINC000426477413	389668294	/nfs/dbraw/zinc/66/82/94/389668294.db2.gz	OISAZDNNBIYYGM-LLVKDONJSA-N	-1	1	263.297	0.811	50	0		CCAAMM
Cc1cc(NC(=O)Cc2sc(N)nc2[O-])no1	ZINC000005043793	170059633	/nfs/dbraw/zinc/05/96/33/170059633.db2.gz	BNNSJPYYGGKDPB-YFKPBYRVSA-N	-1	1	254.271	0.268	50	0		CCAAMM
O=C(Nc1cc(=O)nc2[n-]cnn21)c1ccccc1F	ZINC000009356883	170373988	/nfs/dbraw/zinc/37/39/88/170373988.db2.gz	XKXWIEWIXRQRCK-UHFFFAOYSA-N	-1	1	273.227	0.809	50	0		CCAAMM
O=C(NCc1ccccn1)c1c([O-])nc2ccccn2c1=O	ZINC000009830218	170386407	/nfs/dbraw/zinc/38/64/07/170386407.db2.gz	MENUWUBEQHLRJK-UHFFFAOYSA-N	-1	1	296.286	0.725	50	0		CCAAMM
Cc1cc2c(c(C)c1)NC(=O)/C2=C1\NC(=S)[N-]C1=O	ZINC000100789577	280671793	/nfs/dbraw/zinc/67/17/93/280671793.db2.gz	OXCWWHNMJOWRKT-NTMALXAHSA-N	-1	1	273.317	0.971	50	0		CCAAMM
CCC[C@@H](NC(=O)c1cnsn1)c1nn[n-]n1	ZINC000096466434	528993803	/nfs/dbraw/zinc/99/38/03/528993803.db2.gz	SHSPOFIUBRXBRO-RXMQYKEDSA-N	-1	1	253.291	0.322	50	0		CCAAMM
CC(C)Cc1cc(C(=O)N2CCNC[C@@H]2C(=O)[O-])on1	ZINC000095511407	185001995	/nfs/dbraw/zinc/00/19/95/185001995.db2.gz	QJHSNQJCAFGWGJ-SNVBAGLBSA-N	-1	1	281.312	0.372	50	0		CCAAMM
C[C@H](c1nn[n-]n1)N(C)C(=O)COc1ccccc1	ZINC000095136480	349590689	/nfs/dbraw/zinc/59/06/89/349590689.db2.gz	VIBZOQXMRZQZOD-SECBINFHSA-N	-1	1	261.285	0.798	50	0		CCAAMM
CSc1nc(C)cc(-n2cc(F)c(=O)[n-]c2=O)n1	ZINC000000118975	347938980	/nfs/dbraw/zinc/93/89/80/347938980.db2.gz	LCBRQPNJCIVZQG-UHFFFAOYSA-N	-1	1	268.273	0.485	50	0		CCAAMM
CC[C@@H](C)C(=O)N[C@@]([O-])(C(=O)OC)C(F)(F)F	ZINC000002305932	347966248	/nfs/dbraw/zinc/96/62/48/347966248.db2.gz	KWXHNPFNVYAWSD-SVGQVSJJSA-N	-1	1	257.208	0.573	50	0		CCAAMM
CS(=O)(=O)c1nnc([N-]C(=O)c2ccco2)s1	ZINC000013570040	348027251	/nfs/dbraw/zinc/02/72/51/348027251.db2.gz	NAEUSPXVOFHFDW-UHFFFAOYSA-N	-1	1	273.295	0.787	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCO2)o1	ZINC000065412479	348714488	/nfs/dbraw/zinc/71/44/88/348714488.db2.gz	WYQOUPIJLZXPNB-MRVPVSSYSA-N	-1	1	288.325	0.097	50	0		CCAAMM
Cc1nnc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)[nH]1	ZINC000067642460	348780765	/nfs/dbraw/zinc/78/07/65/348780765.db2.gz	FAEFNMLLWBGLIQ-SSDOTTSWSA-N	-1	1	298.306	0.841	50	0		CCAAMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccnc2)co1	ZINC000089392315	179778729	/nfs/dbraw/zinc/77/87/29/179778729.db2.gz	PWPHDEXTVKAIOA-UHFFFAOYSA-N	-1	1	295.320	0.513	50	0		CCAAMM
O=C(NCc1nc(=O)[n-][nH]1)c1ccc2ccccc2n1	ZINC000215610050	351936995	/nfs/dbraw/zinc/93/69/95/351936995.db2.gz	NDLLSGVTXDGBCW-UHFFFAOYSA-N	-1	1	269.264	0.576	50	0		CCAAMM
C[C@@H](Sc1ccccn1)C(=O)NCc1nc(=O)[n-][nH]1	ZINC000216188142	351940093	/nfs/dbraw/zinc/94/00/93/351940093.db2.gz	GSIRVBCQAVYYBN-SSDOTTSWSA-N	-1	1	279.325	0.290	50	0		CCAAMM
O=C(NCCCOC1CCCCC1)NCc1nn[n-]n1	ZINC000584895926	359236932	/nfs/dbraw/zinc/23/69/32/359236932.db2.gz	PZYHIJIFBLEUIK-UHFFFAOYSA-N	-1	1	282.348	0.738	50	0		CCAAMM
CCN(CC)C(=O)CSc1nc([O-])cc(=O)n1CC	ZINC000001301479	388753351	/nfs/dbraw/zinc/75/33/51/388753351.db2.gz	KTUWXRSRTSWALI-UHFFFAOYSA-N	-1	1	285.369	0.929	50	0		CCAAMM
CC(=O)N1c2ccccc2C(=C2NC(=S)[N-]C2=O)C1=O	ZINC000018098214	388791695	/nfs/dbraw/zinc/79/16/95/388791695.db2.gz	QLTAQYZCTZDTFS-KTKRTIGZSA-N	-1	1	287.300	0.706	50	0		CCAAMM
Cc1cc(=O)[n-]c(SCC(=O)N2CCCC2)n1	ZINC000009086638	170362977	/nfs/dbraw/zinc/36/29/77/170362977.db2.gz	MYUDVPAXFGBEPU-UHFFFAOYSA-N	-1	1	253.327	0.793	50	0		CCAAMM
CCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)[n-]n1	ZINC000021096587	171297812	/nfs/dbraw/zinc/29/78/12/171297812.db2.gz	ORJBLUUQXVSDSO-UHFFFAOYSA-N	-1	1	299.308	0.658	50	0		CCAAMM
CCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)n[n-]1	ZINC000021096587	171297813	/nfs/dbraw/zinc/29/78/13/171297813.db2.gz	ORJBLUUQXVSDSO-UHFFFAOYSA-N	-1	1	299.308	0.658	50	0		CCAAMM
CN(Cc1nnc[nH]1)C(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000653289393	412281817	/nfs/dbraw/zinc/28/18/17/412281817.db2.gz	RIYCGVKRBJTNLF-LBPRGKRZSA-N	-1	1	264.285	0.574	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)CC(F)(F)F)CC1	ZINC000035687004	172354363	/nfs/dbraw/zinc/35/43/63/172354363.db2.gz	HTSBLNZTAURHAI-UHFFFAOYSA-N	-1	1	268.235	0.558	50	0		CCAAMM
C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000037406103	173181934	/nfs/dbraw/zinc/18/19/34/173181934.db2.gz	DFZCBCHFKIKESI-YFKPBYRVSA-N	-1	1	265.237	0.716	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2)o1	ZINC000040513843	174306120	/nfs/dbraw/zinc/30/61/20/174306120.db2.gz	AATVPIARMSJNTH-UHFFFAOYSA-N	-1	1	258.299	0.424	50	0		CCAAMM
Cc1cccc2nc(C(=O)NCc3nn[n-]n3)cn21	ZINC000044928220	175278676	/nfs/dbraw/zinc/27/86/76/175278676.db2.gz	BRJIEIKXMIJICX-UHFFFAOYSA-N	-1	1	257.257	0.086	50	0		CCAAMM
CN(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000071185184	176059991	/nfs/dbraw/zinc/05/99/91/176059991.db2.gz	BXLDAWWNSXVFDZ-UHFFFAOYSA-N	-1	1	296.345	0.448	50	0		CCAAMM
c1cc2nc(-c3ccncc3)cc(NCc3nn[n-]n3)n2n1	ZINC000072409768	176398534	/nfs/dbraw/zinc/39/85/34/176398534.db2.gz	WRSBPOSFUHVGKU-UHFFFAOYSA-N	-1	1	293.294	0.917	50	0		CCAAMM
CCOC(=O)c1cnn(-c2nc(C)c(C)c(=O)[n-]2)c1N	ZINC000026420857	276302748	/nfs/dbraw/zinc/30/27/48/276302748.db2.gz	PZBSZTSZBRMIOU-UHFFFAOYSA-N	-1	1	277.284	0.331	50	0		CCAAMM
CC(C)Cc1cc(C(=O)N2CCNC[C@H]2C(=O)[O-])on1	ZINC000095511408	279240031	/nfs/dbraw/zinc/24/00/31/279240031.db2.gz	QJHSNQJCAFGWGJ-JTQLQIEISA-N	-1	1	281.312	0.372	50	0		CCAAMM
CCc1cnc(C)nc1N1CCN(CCC(=O)[O-])CC1	ZINC000534593124	328318906	/nfs/dbraw/zinc/31/89/06/328318906.db2.gz	KKMPIMMPRZTPNT-UHFFFAOYSA-N	-1	1	278.356	0.944	50	0		CCAAMM
COC[C@@H](NC(=O)Cc1c(C)[n-][nH]c1=O)c1ccccn1	ZINC000534641637	328328835	/nfs/dbraw/zinc/32/88/35/328328835.db2.gz	PORNHSZBKCIMOU-GFCCVEGCSA-N	-1	1	290.323	0.865	50	0		CCAAMM
COCC1(N(C)Cc2cnc(NCC(=O)[O-])nc2)CC1	ZINC000534656826	328340843	/nfs/dbraw/zinc/34/08/43/328340843.db2.gz	BSSVGMWLJBKNRH-UHFFFAOYSA-N	-1	1	280.328	0.584	50	0		CCAAMM
CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCCC(=O)[O-]	ZINC000534674635	328349405	/nfs/dbraw/zinc/34/94/05/328349405.db2.gz	CBVVTXSXJUZQTB-UWVGGRQHSA-N	-1	1	258.318	0.077	50	0		CCAAMM
Cc1nn(C)c(C)c1[C@@H]1CC(=O)Nc2nc(N)[n-]c(=O)c21	ZINC000670416090	545233867	/nfs/dbraw/zinc/23/38/67/545233867.db2.gz	JDMRHXIAUOVRJO-ZETCQYMHSA-N	-1	1	288.311	0.589	50	0		CCAAMM
O=C([O-])[C@@H]1CN(C(=O)CCCOc2ccccc2)CCN1	ZINC000071749694	854007170	/nfs/dbraw/zinc/00/71/70/854007170.db2.gz	VEMYRKVJKNEGRG-ZDUSSCGKSA-N	-1	1	292.335	0.731	50	0		CCAAMM
Cn1nccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1	ZINC000095335349	349600882	/nfs/dbraw/zinc/60/08/82/349600882.db2.gz	MKYPGPASGYYHQD-NSHDSACASA-N	-1	1	283.295	0.453	50	0		CCAAMM
O=C([O-])c1cncnc1NCCSc1cn[nH]n1	ZINC000095363702	349602740	/nfs/dbraw/zinc/60/27/40/349602740.db2.gz	SIIYMEGKFVXIOI-UHFFFAOYSA-N	-1	1	266.286	0.497	50	0		CCAAMM
CNC(=O)Cc1noc(-c2cc(F)ccc2[O-])n1	ZINC000097114115	349628740	/nfs/dbraw/zinc/62/87/40/349628740.db2.gz	ZSJCIOQXPNWXNH-UHFFFAOYSA-N	-1	1	251.217	0.870	50	0		CCAAMM
CC1(C)CC(=O)C(C(=O)CC2CC(=O)NC(=O)C2)=C([O-])C1	ZINC000100540811	349658657	/nfs/dbraw/zinc/65/86/57/349658657.db2.gz	BDBLCWDVLJWJLB-UHFFFAOYSA-N	-1	1	293.319	0.573	50	0		CCAAMM
COc1ccc(Cc2c([O-])[nH]c(=S)[nH]c2=O)c(OC)c1	ZINC000000245366	347943274	/nfs/dbraw/zinc/94/32/74/347943274.db2.gz	GGDPZTFPMQCGMH-UHFFFAOYSA-N	-1	1	294.332	0.393	50	0		CCAAMM
Cc1nnc(NC(=O)CSc2nc(N)cc(=O)[n-]2)s1	ZINC000004678351	347999399	/nfs/dbraw/zinc/99/93/99/347999399.db2.gz	LDLSFQQWPGJJIR-UHFFFAOYSA-N	-1	1	298.353	0.243	50	0		CCAAMM
O=C1CC(c2ccccc2)CC(=O)N1c1nn[n-]n1	ZINC000033365375	348145774	/nfs/dbraw/zinc/14/57/74/348145774.db2.gz	QGKHJGKUCUYLAB-UHFFFAOYSA-N	-1	1	257.253	0.637	50	0		CCAAMM
CO[N-]C(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000069461283	348846874	/nfs/dbraw/zinc/84/68/74/348846874.db2.gz	RMJGUIJQTMMFSP-NSHDSACASA-N	-1	1	278.308	0.721	50	0		CCAAMM
O=C([O-])c1coc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1	ZINC000091493972	180171514	/nfs/dbraw/zinc/17/15/14/180171514.db2.gz	TVNFITRBIODBMP-DTWKUNHWSA-N	-1	1	280.280	0.915	50	0		CCAAMM
CC(C)(C)c1cc(CN2CCOC[C@@H]2C(=O)[O-])n[nH]1	ZINC000244900071	352315665	/nfs/dbraw/zinc/31/56/65/352315665.db2.gz	ZVMZPRBBQSWINB-SNVBAGLBSA-N	-1	1	267.329	0.993	50	0		CCAAMM
COc1ccc(CN=Nc2nn[n-]n2)c([N+](=O)[O-])c1OC	ZINC000252641812	352522029	/nfs/dbraw/zinc/52/20/29/352522029.db2.gz	ZGBQDVFFSGAZFM-UHFFFAOYSA-N	-1	1	293.243	0.571	50	0		CCAAMM
O=C(NCCCN1CCNC(=O)C1)c1ccc([O-])cc1F	ZINC000299757357	354047202	/nfs/dbraw/zinc/04/72/02/354047202.db2.gz	ICIZEXLAMSGMIH-UHFFFAOYSA-N	-1	1	295.314	0.083	50	0		CCAAMM
O=C([O-])C[C@H]1CN(c2ncc(F)cn2)C[C@H]1c1c[nH]nn1	ZINC000299765082	304084409	/nfs/dbraw/zinc/08/44/09/304084409.db2.gz	UZNFWGBNHAKBGV-IONNQARKSA-N	-1	1	292.274	0.429	50	0		CCAAMM
O=C([O-])C[C@H]1CN(c2ncc(F)cn2)C[C@H]1c1cnn[nH]1	ZINC000299765082	304084410	/nfs/dbraw/zinc/08/44/10/304084410.db2.gz	UZNFWGBNHAKBGV-IONNQARKSA-N	-1	1	292.274	0.429	50	0		CCAAMM
O=C([O-])[C@H]1c2[nH]cnc2CCN1C(=O)C1CCOCC1	ZINC000072421683	304212323	/nfs/dbraw/zinc/21/23/23/304212323.db2.gz	FZWDNFKCHCRQIE-LLVKDONJSA-N	-1	1	279.296	0.347	50	0		CCAAMM
CCOCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[n-]1	ZINC000007418724	388764810	/nfs/dbraw/zinc/76/48/10/388764810.db2.gz	SAHUYMMVJZLSMU-UHFFFAOYSA-N	-1	1	291.311	0.547	50	0		CCAAMM
CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccc(C(=O)[O-])n1)C2	ZINC000215479429	389132319	/nfs/dbraw/zinc/13/23/19/389132319.db2.gz	YORSKSOZDNBFEW-PWSUYJOCSA-N	-1	1	289.335	0.832	50	0		CCAAMM
Cc1nn[nH]c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000426739093	389678485	/nfs/dbraw/zinc/67/84/85/389678485.db2.gz	RPHFXDVVKOQTKD-LLVKDONJSA-N	-1	1	286.291	0.765	50	0		CCAAMM
CCOC(=O)c1nc(CNC(=O)c2cccn2C)n[n-]1	ZINC000585130262	390358691	/nfs/dbraw/zinc/35/86/91/390358691.db2.gz	LPXVFTRPZGVLAD-UHFFFAOYSA-N	-1	1	277.284	0.250	50	0		CCAAMM
CCOC(=O)c1n[n-]c(CNC(=O)c2cccn2C)n1	ZINC000585130262	390358693	/nfs/dbraw/zinc/35/86/93/390358693.db2.gz	LPXVFTRPZGVLAD-UHFFFAOYSA-N	-1	1	277.284	0.250	50	0		CCAAMM
CCOC(=O)c1[n-]nc2c1C(=O)N(c1ccc(C)cc1)C2=O	ZINC000101024128	397402548	/nfs/dbraw/zinc/40/25/48/397402548.db2.gz	JGOBDHLSSOOJGZ-JTQLQIEISA-N	-1	1	299.286	0.858	50	0		CCAAMM
CCOC(=O)c1n[n-]c2c1C(=O)N(c1ccc(C)cc1)C2=O	ZINC000101024128	397402553	/nfs/dbraw/zinc/40/25/53/397402553.db2.gz	JGOBDHLSSOOJGZ-JTQLQIEISA-N	-1	1	299.286	0.858	50	0		CCAAMM
COc1cccc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1	ZINC000005150989	170070931	/nfs/dbraw/zinc/07/09/31/170070931.db2.gz	BHAAGECLEJBCHE-UHFFFAOYSA-N	-1	1	297.292	0.285	50	0		CCAAMM
COC(=O)[C@@]([O-])(NC(=O)c1ccncc1)C(F)(F)F	ZINC000005355181	170088947	/nfs/dbraw/zinc/08/89/47/170088947.db2.gz	NHIQMGUMIOHTEA-VIFPVBQESA-N	-1	1	278.186	0.235	50	0		CCAAMM
Cc1nnc(NC(=O)CSc2nc(C)cc(=O)[n-]2)s1	ZINC000009143529	170364827	/nfs/dbraw/zinc/36/48/27/170364827.db2.gz	OMNCCTWOONFKLP-UHFFFAOYSA-N	-1	1	297.365	0.969	50	0		CCAAMM
Cc1occc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000021962202	171342746	/nfs/dbraw/zinc/34/27/46/171342746.db2.gz	QRTHGIYAZPPHMD-JTQLQIEISA-N	-1	1	263.253	0.737	50	0		CCAAMM
Cc1ccccc1CC(=O)N1CCN(CC(=O)[O-])CC1	ZINC000035680279	172351554	/nfs/dbraw/zinc/35/15/54/172351554.db2.gz	FBAMQKAMIGGLNP-UHFFFAOYSA-N	-1	1	276.336	0.766	50	0		CCAAMM
CN(C(=O)CN1CCN(CC(=O)[O-])CC1)C1CCCCC1	ZINC000035680681	172352243	/nfs/dbraw/zinc/35/22/43/172352243.db2.gz	NSDJCFUZYUCBLK-UHFFFAOYSA-N	-1	1	297.399	0.480	50	0		CCAAMM
CN1C[C@@]2(CCCN(C(=O)c3ncccc3[O-])C2)OC1=O	ZINC000072121925	176320307	/nfs/dbraw/zinc/32/03/07/176320307.db2.gz	PBMZXLXUTBTBAP-CQSZACIVSA-N	-1	1	291.307	0.844	50	0		CCAAMM
O=C(NCCc1nc[nH]n1)c1c([O-])cc(F)cc1F	ZINC000096449118	534505581	/nfs/dbraw/zinc/50/55/81/534505581.db2.gz	CKNKSIRXMSBYCX-UHFFFAOYSA-N	-1	1	268.223	0.761	50	0		CCAAMM
O=C([O-])c1ccc(CNC(=O)CSc2c[nH]nn2)cc1	ZINC000095482018	349614772	/nfs/dbraw/zinc/61/47/72/349614772.db2.gz	HDOGJLJWCYPPMJ-UHFFFAOYSA-N	-1	1	292.320	0.911	50	0		CCAAMM
O=C(NCc1nn[n-]n1)c1cnc2c(c1)CCCC2	ZINC000097732947	349646564	/nfs/dbraw/zinc/64/65/64/349646564.db2.gz	WHIDPYOANGXBHC-UHFFFAOYSA-N	-1	1	258.285	0.404	50	0		CCAAMM
CCOc1ccccc1-n1c([O-])c(C(C)=O)c(=O)[nH]c1=O	ZINC000100316071	349657115	/nfs/dbraw/zinc/65/71/15/349657115.db2.gz	ROAOZDOBAUTICX-LLVKDONJSA-N	-1	1	290.275	0.873	50	0		CCAAMM
O=C([O-])COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1	ZINC000002788645	347972982	/nfs/dbraw/zinc/97/29/82/347972982.db2.gz	ZXOHIHGUNPSEOF-MWLCHTKSSA-N	-1	1	283.305	0.938	50	0		CCAAMM
CCC[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000036839500	348172820	/nfs/dbraw/zinc/17/28/20/348172820.db2.gz	DUISVLDVEQMUAS-OUAUKWLOSA-N	-1	1	272.345	0.465	50	0		CCAAMM
COC(=O)C(C)(C)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000037986096	348221460	/nfs/dbraw/zinc/22/14/60/348221460.db2.gz	SUOXHNFIDFRXQL-UHFFFAOYSA-N	-1	1	295.748	0.303	50	0		CCAAMM
O=C(Cc1cccnc1)NCC[N-]C(=O)C(F)(F)F	ZINC000067967618	348792346	/nfs/dbraw/zinc/79/23/46/348792346.db2.gz	CEWULKSVSXPCMM-UHFFFAOYSA-N	-1	1	275.230	0.419	50	0		CCAAMM
CCC[C@@H](NC(=O)c1cnc(C)cn1)c1nn[n-]n1	ZINC000089949698	349415928	/nfs/dbraw/zinc/41/59/28/349415928.db2.gz	XMZNMJWENPYRHT-MRVPVSSYSA-N	-1	1	261.289	0.569	50	0		CCAAMM
CO[C@H](C(=O)NCc1nc(=O)[n-][nH]1)c1ccccc1	ZINC000215583222	351936844	/nfs/dbraw/zinc/93/68/44/351936844.db2.gz	JLMWBPROKKLUOH-JTQLQIEISA-N	-1	1	262.269	0.102	50	0		CCAAMM
C[C@H](NC(=O)c1cnc2ccccc2n1)c1nc(=O)[n-][nH]1	ZINC000216054211	351939194	/nfs/dbraw/zinc/93/91/94/351939194.db2.gz	HYPOQZULFRRJAG-ZETCQYMHSA-N	-1	1	284.279	0.532	50	0		CCAAMM
C[C@@H](c1ccncn1)N(C)Cc1cc(=O)n2[n-]cnc2n1	ZINC000334159576	206119949	/nfs/dbraw/zinc/11/99/49/206119949.db2.gz	CKCBZFNDMHRZMB-VIFPVBQESA-N	-1	1	285.311	0.401	50	0		CCAAMM
CCN(CC)C(=O)CSc1nc(C)c(CCO)c(=O)[n-]1	ZINC000011905729	388776943	/nfs/dbraw/zinc/77/69/43/388776943.db2.gz	LBYFXQYTUFXNII-UHFFFAOYSA-N	-1	1	299.396	0.574	50	0		CCAAMM
CO[N-]C(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC000025827400	388818110	/nfs/dbraw/zinc/81/81/10/388818110.db2.gz	MQNPJFFDCONGEN-VIFPVBQESA-N	-1	1	264.281	0.726	50	0		CCAAMM
O=C([O-])Cc1ccc(CN2CCOC[C@@H](O)C2)cc1	ZINC000077436434	388989486	/nfs/dbraw/zinc/98/94/86/388989486.db2.gz	GPZQSEBILHMAFJ-ZDUSSCGKSA-N	-1	1	265.309	0.507	50	0		CCAAMM
CCC1(C(=O)[O-])CCN(C(=O)CN2CCC[C@H](O)C2)CC1	ZINC000426575024	389673406	/nfs/dbraw/zinc/67/34/06/389673406.db2.gz	OGEBOTAEMNAVND-LBPRGKRZSA-N	-1	1	298.383	0.547	50	0		CCAAMM
CN(Cc1n[nH]c2c1CCCC2)C(=O)Cc1n[nH]c(=O)[n-]1	ZINC000426606669	389674089	/nfs/dbraw/zinc/67/40/89/389674089.db2.gz	AIWDUMSBPCSBFV-UHFFFAOYSA-N	-1	1	290.327	0.313	50	0		CCAAMM
Cc1cc(=O)[n-]c(SCC(=O)N2CCOCC2)n1	ZINC000009446021	170376655	/nfs/dbraw/zinc/37/66/55/170376655.db2.gz	OKXRNTKRBMDWKP-UHFFFAOYSA-N	-1	1	269.326	0.029	50	0		CCAAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCOCC1	ZINC000022467916	171388841	/nfs/dbraw/zinc/38/88/41/171388841.db2.gz	KGXGYANASZUKNO-UHFFFAOYSA-N	-1	1	259.265	0.808	50	0		CCAAMM
CCn1c(CCNC(=O)[C@H](C)OC)n[n-]c1=S	ZINC000067077356	175768344	/nfs/dbraw/zinc/76/83/44/175768344.db2.gz	KXBJHXVSQQEAFB-ZETCQYMHSA-N	-1	1	258.347	0.654	50	0		CCAAMM
C[C@@H](NC(=O)c1cccc2ccnn21)c1nn[n-]n1	ZINC000072143670	176323964	/nfs/dbraw/zinc/32/39/64/176323964.db2.gz	GUBFSICZYQUFQA-SSDOTTSWSA-N	-1	1	257.257	0.338	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CC(=O)NCC[C@@H]1CCCOC1	ZINC000534585532	328315225	/nfs/dbraw/zinc/31/52/25/328315225.db2.gz	PHIPBVMJMGYFFL-JTQLQIEISA-N	-1	1	267.329	0.899	50	0		CCAAMM
O=C1[N-]C(=S)NC1=Cc1cnn(-c2ccccc2)n1	ZINC000105875833	648305369	/nfs/dbraw/zinc/30/53/69/648305369.db2.gz	NKYSVXQEQSZNGD-UXBLZVDNSA-N	-1	1	271.305	0.613	50	0		CCAAMM
Cc1cc(C)n(CCNC(=O)c2ncccc2[O-])c(=O)n1	ZINC000825132025	821646348	/nfs/dbraw/zinc/64/63/48/821646348.db2.gz	LQSNCGIZSUEENF-UHFFFAOYSA-N	-1	1	288.307	0.391	50	0		CCAAMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]	ZINC000002384992	347967173	/nfs/dbraw/zinc/96/71/73/347967173.db2.gz	UYKREHOKELZSPB-JTQLQIEISA-N	-1	1	261.281	0.239	50	0	endogenous,in-man	CCAAMM
COc1cc(-n2c([O-])cc(=O)[nH]c2=O)cc(OC)c1OC	ZINC000002976743	347976040	/nfs/dbraw/zinc/97/60/40/347976040.db2.gz	QYPGFMFEGKZNQA-UHFFFAOYSA-N	-1	1	294.263	0.685	50	0		CCAAMM
COCc1cc(=O)[n-]c(SCC(=O)N2CCOCC2)n1	ZINC000013465219	348026643	/nfs/dbraw/zinc/02/66/43/348026643.db2.gz	ZUBLRJYTHUOHPL-UHFFFAOYSA-N	-1	1	299.352	0.280	50	0		CCAAMM
O=C1CCCN1CC[P@](=O)([O-])CN1CCOCC1	ZINC000019730782	348068379	/nfs/dbraw/zinc/06/83/79/348068379.db2.gz	PGZKWWJLKZYSDN-UHFFFAOYSA-N	-1	1	276.273	0.169	50	0		CCAAMM
O=C([O-])CC1S/C(=N/N=Cc2cccnc2)NC1=O	ZINC000254502039	352538173	/nfs/dbraw/zinc/53/81/73/352538173.db2.gz	XGXYFECPACVPQO-QMMMGPOBSA-N	-1	1	278.293	0.478	50	0		CCAAMM
O=C(CCCc1cccs1)NCc1nc(=O)[n-][nH]1	ZINC000215627426	351937047	/nfs/dbraw/zinc/93/70/47/351937047.db2.gz	HSNMITZEXOLKTQ-UHFFFAOYSA-N	-1	1	266.326	0.799	50	0		CCAAMM
CC(=O)N[C@H]1CCN(Cc2ccccc2OCC(=O)[O-])C1	ZINC000215733879	351937858	/nfs/dbraw/zinc/93/78/58/351937858.db2.gz	RWEHHUAAIROWML-ZDUSSCGKSA-N	-1	1	292.335	0.860	50	0		CCAAMM
CNC(=O)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000584888080	359228479	/nfs/dbraw/zinc/22/84/79/359228479.db2.gz	GVIJLTIWJBCSOH-VIFPVBQESA-N	-1	1	263.297	0.385	50	0		CCAAMM
CCN1C[C@H](CN(C)C(=O)c2cncc([O-])c2)CC1=O	ZINC000584889574	359229413	/nfs/dbraw/zinc/22/94/13/359229413.db2.gz	BIWAOLHNRRFXIH-JTQLQIEISA-N	-1	1	277.324	0.728	50	0		CCAAMM
O=C(NCCCn1ccnn1)c1nc2ccccc2c(=O)[n-]1	ZINC000182403783	189322605	/nfs/dbraw/zinc/32/26/05/189322605.db2.gz	HSTTUKGQQREQFY-UHFFFAOYSA-N	-1	1	298.306	0.335	50	0		CCAAMM
Cc1csc(CN(C)Cc2cc(=O)n3[n-]cnc3n2)n1	ZINC000334159617	206119486	/nfs/dbraw/zinc/11/94/86/206119486.db2.gz	PNUAMVCSVOJJRQ-UHFFFAOYSA-N	-1	1	290.352	0.815	50	0		CCAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCCCO	ZINC000004084659	184530984	/nfs/dbraw/zinc/53/09/84/184530984.db2.gz	YPAPKEXLCOWWPX-UHFFFAOYSA-N	-1	1	291.303	0.848	50	0	biogenic	CCAAMM
CCOC(=O)[C@]([O-])(NC(=O)c1ccco1)C(F)(F)F	ZINC000004336771	388759378	/nfs/dbraw/zinc/75/93/78/388759378.db2.gz	ZSALGWAKELYFBY-SECBINFHSA-N	-1	1	281.186	0.823	50	0		CCAAMM
O=C(Cc1n[nH]c(=O)[n-]1)NCc1n[nH]c2c1CCCCC2	ZINC000426668521	389676271	/nfs/dbraw/zinc/67/62/71/389676271.db2.gz	ZMPBEMDCKLCTAN-UHFFFAOYSA-N	-1	1	290.327	0.361	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)[C@H]1Cc2ccccc2S1	ZINC000426683784	389677195	/nfs/dbraw/zinc/67/71/95/389677195.db2.gz	JCCAMYZVPKCLCV-LLVKDONJSA-N	-1	1	289.364	0.966	50	0		CCAAMM
O=C1c2ccccc2C(=O)N1CCc1n[n-]c(=S)[nH]1	ZINC000005731588	170135072	/nfs/dbraw/zinc/13/50/72/170135072.db2.gz	YHYSWWVEIHWRHQ-UHFFFAOYSA-N	-1	1	274.305	0.932	50	0		CCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NC(N)=O)n1	ZINC000006482138	170205006	/nfs/dbraw/zinc/20/50/06/170205006.db2.gz	AJCGQZNECKQCJV-UHFFFAOYSA-N	-1	1	270.314	0.009	50	0		CCAAMM
CC(=O)NCCCNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000022471097	171388977	/nfs/dbraw/zinc/38/89/77/171388977.db2.gz	LVKQLGPGPJNDQB-UHFFFAOYSA-N	-1	1	288.307	0.179	50	0	biogenic	CCAAMM
CCNc1nc(C)c(C(=O)N2CCN[C@@H](C(=O)[O-])C2)s1	ZINC000071751402	176260109	/nfs/dbraw/zinc/26/01/09/176260109.db2.gz	BUUJNPLGQWFPQN-MRVPVSSYSA-N	-1	1	298.368	0.382	50	0		CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccco1	ZINC000072240901	176348665	/nfs/dbraw/zinc/34/86/65/176348665.db2.gz	FNVSHEQNVLELFP-UHFFFAOYSA-N	-1	1	257.271	0.637	50	0		CCAAMM
C[C@@H](NC(=O)C=Cc1ccccc1)c1nc(=O)[n-][nH]1	ZINC000216240217	544814164	/nfs/dbraw/zinc/81/41/64/544814164.db2.gz	ONEIEPVSCQBRMF-FCZSHJHJSA-N	-1	1	258.281	0.989	50	0		CCAAMM
Cc1cc(C(=O)N[C@H](C)CN2CCOCC2)c([O-])cn1	ZINC000534644875	328330577	/nfs/dbraw/zinc/33/05/77/328330577.db2.gz	RRRXPZXLANNETR-LLVKDONJSA-N	-1	1	279.340	0.546	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)C[C@@H]2CCOC2)CC1	ZINC000401205155	803783320	/nfs/dbraw/zinc/78/33/20/803783320.db2.gz	QREIQHZNWYDJMU-NSHDSACASA-N	-1	1	270.329	0.032	50	0		CCAAMM
CC(C)(C)OC(=O)N1C[C@@H](c2nn[nH]n2)C[C@H]1C(=O)[O-]	ZINC000095139559	349592258	/nfs/dbraw/zinc/59/22/58/349592258.db2.gz	YRZOCWFHBFRXFW-BQBZGAKWSA-N	-1	1	283.288	0.377	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2ccccc2C)c(=O)[nH]c1=O	ZINC000100316117	349657286	/nfs/dbraw/zinc/65/72/86/349657286.db2.gz	ABSJRFMVBLONRB-JTQLQIEISA-N	-1	1	260.249	0.783	50	0		CCAAMM
COc1ccc(CS(=O)(=O)c2ncn[n-]2)cc1F	ZINC000086169575	179242981	/nfs/dbraw/zinc/24/29/81/179242981.db2.gz	OCXUZUOWBVSRJH-UHFFFAOYSA-N	-1	1	271.273	0.926	50	0		CCAAMM
COc1ccc(CS(=O)(=O)c2nc[n-]n2)cc1F	ZINC000086169575	179242982	/nfs/dbraw/zinc/24/29/82/179242982.db2.gz	OCXUZUOWBVSRJH-UHFFFAOYSA-N	-1	1	271.273	0.926	50	0		CCAAMM
Cc1[nH]n(-c2cccc(C(=O)[O-])c2)c(=O)c1CCO	ZINC000003884297	347987284	/nfs/dbraw/zinc/98/72/84/347987284.db2.gz	ICIZSMZTAKEYEF-UHFFFAOYSA-N	-1	1	262.265	0.707	50	0		CCAAMM
COCCCNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000004301874	347992443	/nfs/dbraw/zinc/99/24/43/347992443.db2.gz	MFZAAQJLJWBRRI-UHFFFAOYSA-N	-1	1	261.281	0.689	50	0		CCAAMM
CC(=O)c1c([O-])n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000003189126	347979261	/nfs/dbraw/zinc/97/92/61/347979261.db2.gz	UFNNODAEZQLWDR-UHFFFAOYSA-N	-1	1	260.249	0.493	50	0		CCAAMM
Cc1cc(C)cc(OCC(=O)NN2CC(=O)[N-]C2=O)c1	ZINC000029018645	348109453	/nfs/dbraw/zinc/10/94/53/348109453.db2.gz	GPCQTGBIRPSQPV-UHFFFAOYSA-N	-1	1	277.280	0.265	50	0		CCAAMM
CO[C@@H](C(=O)NCc1nc(=O)[n-][nH]1)c1ccccc1	ZINC000215583262	351937023	/nfs/dbraw/zinc/93/70/23/351937023.db2.gz	JLMWBPROKKLUOH-SNVBAGLBSA-N	-1	1	262.269	0.102	50	0		CCAAMM
O=C([O-])[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1	ZINC000238128478	352299068	/nfs/dbraw/zinc/29/90/68/352299068.db2.gz	NVYIBUUWBMYFIZ-SNVBAGLBSA-N	-1	1	265.269	0.213	50	0		CCAAMM
COc1nc(C)cc(C)c1CNC(=O)Nc1nn[n-]n1	ZINC000023192924	388801357	/nfs/dbraw/zinc/80/13/57/388801357.db2.gz	GOXVNZGJWYQVKJ-UHFFFAOYSA-N	-1	1	277.288	0.542	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2ccccn2)n1	ZINC000018227517	170748872	/nfs/dbraw/zinc/74/88/72/170748872.db2.gz	BKVLPZSJBQTIAT-UHFFFAOYSA-N	-1	1	277.309	0.478	50	0		CCAAMM
COc1cccc(C(=O)N2CCN([C@@H](C)C(=O)[O-])CC2)c1	ZINC000020180677	171044739	/nfs/dbraw/zinc/04/47/39/171044739.db2.gz	MMXIPFKRVJSCRV-NSHDSACASA-N	-1	1	292.335	0.926	50	0		CCAAMM
CCc1noc(C[N-]S(=O)(=O)c2c[nH]c(CC)n2)n1	ZINC000823484450	821519935	/nfs/dbraw/zinc/51/99/35/821519935.db2.gz	DYCOOHLNXFEQFQ-UHFFFAOYSA-N	-1	1	285.329	0.396	50	0		CCAAMM
COC[C@H](NC(=O)c1cccc(C)c1C)c1nn[n-]n1	ZINC000952882762	841587512	/nfs/dbraw/zinc/58/75/12/841587512.db2.gz	OVFZQCGBLWRMOC-NSHDSACASA-N	-1	1	275.312	0.934	50	0		CCAAMM
COCC[C@]1(C(=O)[O-])CCCN(CCS(C)(=O)=O)C1	ZINC000091595731	349470069	/nfs/dbraw/zinc/47/00/69/349470069.db2.gz	BSRQIYWIWMEUHN-GFCCVEGCSA-N	-1	1	293.385	0.234	50	0		CCAAMM
Cn1ccc2c1cccc2OCC(=O)Nc1nnn[n-]1	ZINC000253414719	352533634	/nfs/dbraw/zinc/53/36/34/352533634.db2.gz	YITZIVQCESLRKP-UHFFFAOYSA-N	-1	1	272.268	0.709	50	0		CCAAMM
Cn1ccc2c1cccc2OCC(=O)Nc1nn[n-]n1	ZINC000253414719	352533638	/nfs/dbraw/zinc/53/36/38/352533638.db2.gz	YITZIVQCESLRKP-UHFFFAOYSA-N	-1	1	272.268	0.709	50	0		CCAAMM
Cc1noc2nc(C)nc(N[C@@H](C)c3nn[n-]n3)c12	ZINC000095360192	349603313	/nfs/dbraw/zinc/60/33/13/349603313.db2.gz	HLSCYYUEAXDPOS-YFKPBYRVSA-N	-1	1	260.261	0.921	50	0		CCAAMM
C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)c1nn[n-]n1	ZINC000097377510	349639830	/nfs/dbraw/zinc/63/98/30/349639830.db2.gz	ZAMYWFYWNKQLCR-QMMMGPOBSA-N	-1	1	292.318	0.938	50	0		CCAAMM
C[C@H](CNC(=O)c1noc2c1CCCC2)c1nn[n-]n1	ZINC000097377518	349640106	/nfs/dbraw/zinc/64/01/06/349640106.db2.gz	AJKYCYAUQLMMDP-SSDOTTSWSA-N	-1	1	276.300	0.600	50	0		CCAAMM
CC[C@H](C)[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C(N)=O	ZINC000097634967	349645882	/nfs/dbraw/zinc/64/58/82/349645882.db2.gz	IRBFEMRNQHOCPT-XVKPBYJWSA-N	-1	1	292.339	0.277	50	0		CCAAMM
NC(=O)COc1ccccc1C=C1SC(=O)[N-]C1=O	ZINC000001012960	347952670	/nfs/dbraw/zinc/95/26/70/347952670.db2.gz	XDBHWOQFFZDFBN-WEVVVXLNSA-N	-1	1	278.289	0.875	50	0		CCAAMM
CCOC(=O)CSCC[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000001846343	347962539	/nfs/dbraw/zinc/96/25/39/347962539.db2.gz	IKOCLISPVJZJEA-YUMQZZPRSA-N	-1	1	279.383	0.789	50	0	in-man	CCAAMM
O=C(NCc1cnc2cnccn12)c1ccc2[nH]nnc2c1	ZINC000215112766	351933496	/nfs/dbraw/zinc/93/34/96/351933496.db2.gz	PCWPZJZDEOAMIH-UHFFFAOYSA-N	-1	1	293.290	0.931	50	0		CCAAMM
O=C([O-])CN1CCc2nc(-c3cccnc3)[nH]c2C1	ZINC000215574617	351936559	/nfs/dbraw/zinc/93/65/59/351936559.db2.gz	IMRUYHHPVNKSBV-UHFFFAOYSA-N	-1	1	258.281	0.914	50	0		CCAAMM
C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2)C[C@H]1C(=O)[O-]	ZINC000219914996	351970867	/nfs/dbraw/zinc/97/08/67/351970867.db2.gz	WAEFUQZOKVDRET-RYUDHWBXSA-N	-1	1	280.299	0.642	50	0		CCAAMM
CC(C)Cc1cc(C(=O)NCCc2nn[n-]n2)[nH]n1	ZINC000244899450	352315406	/nfs/dbraw/zinc/31/54/06/352315406.db2.gz	ZKDPBEAJCVUJOQ-UHFFFAOYSA-N	-1	1	263.305	0.094	50	0		CCAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(-n2cncn2)cc1	ZINC000012957264	388786669	/nfs/dbraw/zinc/78/66/69/388786669.db2.gz	UGGSTJBTEQQJJC-BJMVGYQFSA-N	-1	1	271.305	0.613	50	0		CCAAMM
Cc1[nH]c(=O)c(C(=O)NCCCc2nn[n-]n2)c(C)c1C	ZINC000426534527	389671538	/nfs/dbraw/zinc/67/15/38/389671538.db2.gz	WIRCATGWLSXEOE-UHFFFAOYSA-N	-1	1	290.327	0.588	50	0		CCAAMM
CCCCNC(=O)[C@@H](C)N1CCC[C@@H](c2n[n-]c(=N)o2)C1	ZINC000585116352	390356837	/nfs/dbraw/zinc/35/68/37/390356837.db2.gz	RMXZBYJETXUZTL-GHMZBOCLSA-N	-1	1	295.387	0.966	50	0		CCAAMM
CCCCNC(=O)[C@H](C)N1CCC[C@H](c2n[n-]c(=N)o2)C1	ZINC000585116354	390357282	/nfs/dbraw/zinc/35/72/82/390357282.db2.gz	RMXZBYJETXUZTL-QWRGUYRKSA-N	-1	1	295.387	0.966	50	0		CCAAMM
COc1cccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)c1	ZINC000101406393	397403212	/nfs/dbraw/zinc/40/32/12/397403212.db2.gz	MXHSCTBJZKMOQG-UHFFFAOYSA-N	-1	1	276.248	0.443	50	0		CCAAMM
Nc1n[nH]c(SCC(=O)c2ccc([O-])cc2O)n1	ZINC000006132438	170178869	/nfs/dbraw/zinc/17/88/69/170178869.db2.gz	IMUGRISBLCZHHC-UHFFFAOYSA-N	-1	1	266.282	0.773	50	0		CCAAMM
O=C(CSc1nccc(=O)[n-]1)N1CCOCC1	ZINC000006494065	170206581	/nfs/dbraw/zinc/20/65/81/170206581.db2.gz	BJBZLKJJYZCGMN-UHFFFAOYSA-N	-1	1	255.299	0.133	50	0		CCAAMM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)cc1)CC(=O)N2	ZINC000009109589	170363414	/nfs/dbraw/zinc/36/34/14/170363414.db2.gz	ATIQJOLJYRXTKZ-MRVPVSSYSA-N	-1	1	272.264	0.532	50	0		CCAAMM
Cc1cc(NC(=O)CSc2nc(N)cc(=O)[n-]2)no1	ZINC000009668023	170383853	/nfs/dbraw/zinc/38/38/53/170383853.db2.gz	DIGLSFUISPLBKN-UHFFFAOYSA-N	-1	1	281.297	0.792	50	0		CCAAMM
O=C(NCc1ccncc1)c1c([O-])nc2ccccn2c1=O	ZINC000009830225	170386365	/nfs/dbraw/zinc/38/63/65/170386365.db2.gz	RKRXCMRSWDLOIM-UHFFFAOYSA-N	-1	1	296.286	0.725	50	0		CCAAMM
COC[C@H](C)NC(=O)c1c([O-])nc2scc(C)n2c1=O	ZINC000010166684	170399715	/nfs/dbraw/zinc/39/97/15/170399715.db2.gz	FGWPAWGRJAKGCP-LURJTMIESA-N	-1	1	297.336	0.535	50	0		CCAAMM
CNC(=O)Cc1c(C)nc(-c2ccccn2)[n-]c1=O	ZINC000048733593	411662539	/nfs/dbraw/zinc/66/25/39/411662539.db2.gz	LYIULUPBDINANV-UHFFFAOYSA-N	-1	1	258.281	0.429	50	0		CCAAMM
Nc1n[nH]c(CCNC(=O)Cc2ccc([O-])c(Cl)c2)n1	ZINC000534645335	411829755	/nfs/dbraw/zinc/82/97/55/411829755.db2.gz	AQLGTXNNGWTSIT-UHFFFAOYSA-N	-1	1	295.730	0.647	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000035686995	172354143	/nfs/dbraw/zinc/35/41/43/172354143.db2.gz	SKUUKXBXLVOMCH-UHFFFAOYSA-N	-1	1	294.326	0.987	50	0		CCAAMM
O=c1c([O-])c(N2CCN(c3ccccc3F)CC2)c1=O	ZINC000101402665	544557107	/nfs/dbraw/zinc/55/71/07/544557107.db2.gz	YGGUPRXLZJDNGC-UHFFFAOYSA-N	-1	1	276.267	0.454	50	0		CCAAMM
Cc1c[nH]c(CN2CCN(CCC(=O)[O-])CC2)n1	ZINC000534643553	328329285	/nfs/dbraw/zinc/32/92/85/328329285.db2.gz	AQWWULJQJCGJQH-UHFFFAOYSA-N	-1	1	252.318	0.310	50	0		CCAAMM
CCCC[C@H](NC(=O)Cc1n[nH]c(C)n1)C(=O)[O-]	ZINC000863981669	645152560	/nfs/dbraw/zinc/15/25/60/645152560.db2.gz	GSDVNBLWCMMEDJ-QMMMGPOBSA-N	-1	1	254.290	0.415	50	0		CCAAMM
O=C([O-])[C@H]1CN(C(=O)CCCOc2ccccc2)CCN1	ZINC000071749695	854007097	/nfs/dbraw/zinc/00/70/97/854007097.db2.gz	VEMYRKVJKNEGRG-CYBMUJFWSA-N	-1	1	292.335	0.731	50	0		CCAAMM
O=C(Nc1nnn[n-]1)c1cccc(Nc2ncccn2)c1	ZINC000095474066	349613711	/nfs/dbraw/zinc/61/37/11/349613711.db2.gz	KVDLXILBDXHMIF-UHFFFAOYSA-N	-1	1	282.267	0.986	50	0		CCAAMM
O=C(Nc1nn[n-]n1)c1cccc(Nc2ncccn2)c1	ZINC000095474066	349613713	/nfs/dbraw/zinc/61/37/13/349613713.db2.gz	KVDLXILBDXHMIF-UHFFFAOYSA-N	-1	1	282.267	0.986	50	0		CCAAMM
CC(C)c1cc(C(=O)NC[C@@H](C)c2nn[n-]n2)no1	ZINC000097102543	349627852	/nfs/dbraw/zinc/62/78/52/349627852.db2.gz	LSYANFZUTMVVTJ-SSDOTTSWSA-N	-1	1	264.289	0.845	50	0		CCAAMM
COc1cc(/C=C2\NC(=S)[N-]C2=O)ccc1O	ZINC000100902383	349659920	/nfs/dbraw/zinc/65/99/20/349659920.db2.gz	KLXSKUUJNRMADB-DAXSKMNVSA-N	-1	1	250.279	0.746	50	0		CCAAMM
CCOc1ccccc1-n1c([O-])c(C(C)=O)c(=O)[nH]c1=O	ZINC000100316075	349656825	/nfs/dbraw/zinc/65/68/25/349656825.db2.gz	ROAOZDOBAUTICX-NSHDSACASA-N	-1	1	290.275	0.873	50	0		CCAAMM
CCOC(=O)CCCNC(=O)c1cncc([O-])c1	ZINC000001888097	347963379	/nfs/dbraw/zinc/96/33/79/347963379.db2.gz	ASBBAFJIICIJEZ-UHFFFAOYSA-N	-1	1	252.270	0.860	50	0		CCAAMM
CC(C)CNC(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000004643306	347999013	/nfs/dbraw/zinc/99/90/13/347999013.db2.gz	MXNJKZCMMNJWLW-UHFFFAOYSA-N	-1	1	256.331	0.216	50	0		CCAAMM
COc1ccc([C@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)cc1	ZINC000016971560	348051767	/nfs/dbraw/zinc/05/17/67/348051767.db2.gz	GYJZSOZJOMUDOZ-SECBINFHSA-N	-1	1	286.291	0.835	50	0		CCAAMM
Cn1[n-]c(=O)nc1SCC(=O)NC1CCCC1	ZINC000058406779	348626428	/nfs/dbraw/zinc/62/64/28/348626428.db2.gz	JCHSJGCNRPXCKV-UHFFFAOYSA-N	-1	1	256.331	0.259	50	0		CCAAMM
Cn1cc(Br)cc1C(=O)Nc1nn[n-]n1	ZINC000072302900	348920907	/nfs/dbraw/zinc/92/09/07/348920907.db2.gz	UXAKLUZZXHEHMA-UHFFFAOYSA-N	-1	1	271.078	0.553	50	0		CCAAMM
O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ncccc1[O-]	ZINC000375892720	295801414	/nfs/dbraw/zinc/80/14/14/295801414.db2.gz	VSDXARXCVUJYKS-LLVKDONJSA-N	-1	1	283.287	0.932	50	0		CCAAMM
O=C([O-])CC1S/C(=N/N=Cc2ccco2)NC1=O	ZINC000245266602	352317319	/nfs/dbraw/zinc/31/73/19/352317319.db2.gz	KGTHEIYDGMQSLK-ZETCQYMHSA-N	-1	1	267.266	0.676	50	0		CCAAMM
Cc1cc(C)n(C[C@H](C)NC(=O)Cc2c(C)[n-][nH]c2=O)n1	ZINC000299763507	354048711	/nfs/dbraw/zinc/04/87/11/354048711.db2.gz	XEVNXQNEAULDHW-VIFPVBQESA-N	-1	1	291.355	0.572	50	0		CCAAMM
CCCc1noc(CSc2nc(N)cc(=O)[n-]2)n1	ZINC000022611010	388797598	/nfs/dbraw/zinc/79/75/98/388797598.db2.gz	NDWPCTBIPBCBGU-UHFFFAOYSA-N	-1	1	267.314	0.980	50	0		CCAAMM
O=C([O-])C[C@@H]1COCCN1C(=O)c1[nH]nc2ccccc21	ZINC000072423992	388963871	/nfs/dbraw/zinc/96/38/71/388963871.db2.gz	ZCKGIMXPDKQLOO-SECBINFHSA-N	-1	1	289.291	0.879	50	0		CCAAMM
CCOCCCNC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000575314878	390837278	/nfs/dbraw/zinc/83/72/78/390837278.db2.gz	WLURAGUMVWJQPE-JTQLQIEISA-N	-1	1	282.348	0.515	50	0		CCAAMM
Cc1ccc(S(=O)(=O)n2[n-]c(=O)cc2N)cc1	ZINC000013687368	292186881	/nfs/dbraw/zinc/18/68/81/292186881.db2.gz	MFQYZJGZHOOVEJ-UHFFFAOYSA-N	-1	1	253.283	0.304	50	0		CCAAMM
C[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccccc2)CC1	ZINC000020180651	171045198	/nfs/dbraw/zinc/04/51/98/171045198.db2.gz	HZJGKMJTEFDHCR-NSHDSACASA-N	-1	1	262.309	0.918	50	0		CCAAMM
CCN1CCN(C(=O)[C@@H](C)[N-]C(=O)C(F)(F)F)CC1	ZINC000040451275	174265768	/nfs/dbraw/zinc/26/57/68/174265768.db2.gz	NGTYTXIHPMTNHS-MRVPVSSYSA-N	-1	1	281.278	0.218	50	0		CCAAMM
CCNc1nc(C)c(C(=O)N2CCN[C@H](C(=O)[O-])C2)s1	ZINC000071751401	176260167	/nfs/dbraw/zinc/26/01/67/176260167.db2.gz	BUUJNPLGQWFPQN-QMMMGPOBSA-N	-1	1	298.368	0.382	50	0		CCAAMM
CC(C)c1cc(NCc2nn[n-]n2)n2nccc2n1	ZINC000072409694	176398366	/nfs/dbraw/zinc/39/83/66/176398366.db2.gz	PQQSDRCSZANTDN-UHFFFAOYSA-N	-1	1	258.289	0.978	50	0		CCAAMM
CN(Cc1cccc(C(=O)[O-])n1)C[C@H]1COCCO1	ZINC000097480192	349642434	/nfs/dbraw/zinc/64/24/34/349642434.db2.gz	XLTAZYAYTUDERO-NSHDSACASA-N	-1	1	266.297	0.627	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2ccc(C)cc2)c(=O)[nH]c1=O	ZINC000100316154	349657246	/nfs/dbraw/zinc/65/72/46/349657246.db2.gz	FRZIVNBKKWBHHE-SNVBAGLBSA-N	-1	1	260.249	0.783	50	0		CCAAMM
CCOC(=O)[C@]([O-])(NC(=O)c1cccnc1)C(F)(F)F	ZINC000002306069	347966355	/nfs/dbraw/zinc/96/63/55/347966355.db2.gz	XLSNZNXIGXZYRF-SNVBAGLBSA-N	-1	1	292.213	0.625	50	0		CCAAMM
COCCCNC(=O)c1c([O-])nc2sccn2c1=O	ZINC000016689989	348049633	/nfs/dbraw/zinc/04/96/33/348049633.db2.gz	KBLLLRQTSLTCFK-UHFFFAOYSA-N	-1	1	283.309	0.228	50	0		CCAAMM
CCn1nccc1C[N-]S(=O)(=O)c1c(C)noc1C	ZINC000028233038	348105844	/nfs/dbraw/zinc/10/58/44/348105844.db2.gz	OLBAYUAXALFNSL-UHFFFAOYSA-N	-1	1	284.341	0.986	50	0		CCAAMM
C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H]1CCCO1	ZINC000028326125	348106631	/nfs/dbraw/zinc/10/66/31/348106631.db2.gz	LEZMEBGEAWKHFN-YUMQZZPRSA-N	-1	1	293.776	0.919	50	0		CCAAMM
O=C([O-])[C@@H]1CC(=O)N(Cc2n[nH]c(-c3ccccc3)n2)C1	ZINC000065470240	348718154	/nfs/dbraw/zinc/71/81/54/348718154.db2.gz	ASZFPRDEBJRNJC-SNVBAGLBSA-N	-1	1	286.291	0.905	50	0		CCAAMM
O=C([O-])[C@@H]1CC(=O)N(Cc2nc(-c3ccccc3)n[nH]2)C1	ZINC000065470240	348718157	/nfs/dbraw/zinc/71/81/57/348718157.db2.gz	ASZFPRDEBJRNJC-SNVBAGLBSA-N	-1	1	286.291	0.905	50	0		CCAAMM
CCCO[C@@H]1CCCN(C(=O)Cc2nn[n-]n2)C1	ZINC000067771869	348785023	/nfs/dbraw/zinc/78/50/23/348785023.db2.gz	GFJREERAHFIZHP-SECBINFHSA-N	-1	1	253.306	0.160	50	0		CCAAMM
O=C([O-])C[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCO1	ZINC000091293442	180124626	/nfs/dbraw/zinc/12/46/26/180124626.db2.gz	ROFRTUXMPBXHGX-VIFPVBQESA-N	-1	1	290.279	0.274	50	0		CCAAMM
Cc1nc(-c2nc3c([n-]2)CCCNC3=O)cc(=O)[nH]1	ZINC000215593572	351936452	/nfs/dbraw/zinc/93/64/52/351936452.db2.gz	DZUOCJPHNOLHQA-UHFFFAOYSA-N	-1	1	259.269	0.144	50	0		CCAAMM
Cc1nc(-c2nc3c([n-]2)C(=O)NCCC3)cc(=O)[nH]1	ZINC000215593572	351936453	/nfs/dbraw/zinc/93/64/53/351936453.db2.gz	DZUOCJPHNOLHQA-UHFFFAOYSA-N	-1	1	259.269	0.144	50	0		CCAAMM
Cc1nn[nH]c1C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000299772304	354049700	/nfs/dbraw/zinc/04/97/00/354049700.db2.gz	XVBWBMPCPNZPPY-UHFFFAOYSA-N	-1	1	252.274	0.440	50	0		CCAAMM
CCc1n[nH]c([N-]S(=O)(=O)c2cn(CC)c(C)n2)n1	ZINC000331323474	354534982	/nfs/dbraw/zinc/53/49/82/354534982.db2.gz	LQARTGVFWHFJGE-UHFFFAOYSA-N	-1	1	284.345	0.693	50	0		CCAAMM
N=c1scc([O-])n1-n1cnc2ccccc2c1=N	ZINC000584906178	359245145	/nfs/dbraw/zinc/24/51/45/359245145.db2.gz	GLDLBZQFLQKBBC-UHFFFAOYSA-N	-1	1	259.294	0.662	50	0		CCAAMM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)CC(=O)N2	ZINC000001654764	388754395	/nfs/dbraw/zinc/75/43/95/388754395.db2.gz	UUGDEEFHTZJKDE-QMMMGPOBSA-N	-1	1	256.265	0.826	50	0		CCAAMM
Cc1ncsc1CCNC(=O)Nc1nn[n-]n1	ZINC000023506782	388805324	/nfs/dbraw/zinc/80/53/24/388805324.db2.gz	QBVZHNJRSFYBPS-UHFFFAOYSA-N	-1	1	253.291	0.329	50	0		CCAAMM
COc1cccc([C@H]2[N-]S(=O)(=O)N=C2N)c1OC	ZINC000005093809	388762743	/nfs/dbraw/zinc/76/27/43/388762743.db2.gz	OGKDMAKTYKHLET-MRVPVSSYSA-N	-1	1	271.298	0.160	50	0		CCAAMM
CCn1ncnc1[C@H]1CC(=O)Nc2[n-]nc(C(=O)OC)c21	ZINC000065372827	388942259	/nfs/dbraw/zinc/94/22/59/388942259.db2.gz	DQBULKREFLBZIP-LURJTMIESA-N	-1	1	290.283	0.282	50	0		CCAAMM
CCNC(=O)c1cccc(NC(=O)c2nn[n-]n2)c1	ZINC000095041846	389041141	/nfs/dbraw/zinc/04/11/41/389041141.db2.gz	DWXOBPMJEXLATK-UHFFFAOYSA-N	-1	1	260.257	0.202	50	0		CCAAMM
CCOC(=O)c1[n-]nc2c1C(=O)N(c1ccc(C)cc1)C2=O	ZINC000101024129	397402564	/nfs/dbraw/zinc/40/25/64/397402564.db2.gz	JGOBDHLSSOOJGZ-SNVBAGLBSA-N	-1	1	299.286	0.858	50	0		CCAAMM
CCOC(=O)c1n[n-]c2c1C(=O)N(c1ccc(C)cc1)C2=O	ZINC000101024129	397402567	/nfs/dbraw/zinc/40/25/67/397402567.db2.gz	JGOBDHLSSOOJGZ-SNVBAGLBSA-N	-1	1	299.286	0.858	50	0		CCAAMM
COc1ccccc1-c1n[n-]c(S(C)(=O)=O)n1	ZINC000004770280	170014183	/nfs/dbraw/zinc/01/41/83/170014183.db2.gz	SWWNOBOBRXNIEB-UHFFFAOYSA-N	-1	1	253.283	0.884	50	0		CCAAMM
COc1ccccc1-c1nc(S(C)(=O)=O)n[n-]1	ZINC000004770280	170014187	/nfs/dbraw/zinc/01/41/87/170014187.db2.gz	SWWNOBOBRXNIEB-UHFFFAOYSA-N	-1	1	253.283	0.884	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)NC2CCCC2)n1	ZINC000005042992	170059513	/nfs/dbraw/zinc/05/95/13/170059513.db2.gz	ZMCMYJWHMOVUBX-UHFFFAOYSA-N	-1	1	268.342	0.503	50	0		CCAAMM
CCc1cc(=O)[n-]c(SCC(=O)NC(C)C)n1	ZINC000005154997	170071214	/nfs/dbraw/zinc/07/12/14/170071214.db2.gz	LHLPXMUODWNHOV-UHFFFAOYSA-N	-1	1	255.343	0.949	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C)C2)o1	ZINC000044918424	175276847	/nfs/dbraw/zinc/27/68/47/175276847.db2.gz	CHNYRTYBLKGHQF-QMMMGPOBSA-N	-1	1	288.325	0.049	50	0		CCAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccnn2C)o1	ZINC000078663101	177367974	/nfs/dbraw/zinc/36/79/74/177367974.db2.gz	XNOSZQYTLBPHRI-UHFFFAOYSA-N	-1	1	299.308	0.278	50	0		CCAAMM
COc1ncccc1-c1ccc([N-]S(C)(=O)=O)nc1	ZINC000067675225	544447180	/nfs/dbraw/zinc/44/71/80/544447180.db2.gz	GBWPWUJPDYGJNX-UHFFFAOYSA-N	-1	1	279.321	1.524	50	0		CCAAMM
Cc1cc(C)n(C[C@H](C)NCc2n[nH]c(=O)[n-]2)n1	ZINC000821508345	821464830	/nfs/dbraw/zinc/46/48/30/821464830.db2.gz	KMZQIVIPPPSSJV-QMMMGPOBSA-N	-1	1	250.306	0.502	50	0		CCAAMM
CCc1noc([C@@H](C)[N-]S(=O)(=O)c2cnn(C)c2)n1	ZINC000823569341	821524216	/nfs/dbraw/zinc/52/42/16/821524216.db2.gz	HLBXIOCMFPFHNM-SSDOTTSWSA-N	-1	1	285.329	0.405	50	0		CCAAMM
COC[C@@H]1[C@H](NC(=O)c2ncccc2[O-])[C@@H]2CCO[C@H]12	ZINC000223069906	230398912	/nfs/dbraw/zinc/39/89/12/230398912.db2.gz	FZDPVUHJJDZVFK-JQEKQURRSA-N	-1	1	278.308	0.567	50	0		CCAAMM
O=C(Nc1cnc2[n-]cnn2c1=O)c1ccc(F)cc1	ZINC000102811352	349685578	/nfs/dbraw/zinc/68/55/78/349685578.db2.gz	MQOGNIDJIHZTDS-UHFFFAOYSA-N	-1	1	273.227	0.809	50	0		CCAAMM
O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CCN1	ZINC000004202902	347991482	/nfs/dbraw/zinc/99/14/82/347991482.db2.gz	ARLOIFJEXPDJGV-LLVKDONJSA-N	-1	1	264.281	0.682	50	0		CCAAMM
O=C([O-])CNS(=O)(=O)c1c(F)cccc1F	ZINC000003289727	347980476	/nfs/dbraw/zinc/98/04/76/347980476.db2.gz	MSHZFLDBUGYYJF-UHFFFAOYSA-N	-1	1	251.210	0.328	50	0		CCAAMM
O=[P@@]([O-])(CN1CCOCC1)[C@@H]1CCCC[C@H]1O	ZINC000019730792	348068200	/nfs/dbraw/zinc/06/82/00/348068200.db2.gz	GQOFMOILUKYYEW-GHMZBOCLSA-N	-1	1	263.274	0.850	50	0		CCAAMM
CN1CCN(C(=O)c2cccc(O)c2)C[C@@H]1C(=O)[O-]	ZINC000067605846	348778978	/nfs/dbraw/zinc/77/89/78/348778978.db2.gz	BFMHVCBRMZFTRP-LLVKDONJSA-N	-1	1	264.281	0.233	50	0		CCAAMM
CN(CC(=O)c1ccc([O-])cc1)C(=O)C1=NNC(=O)CC1	ZINC000067820821	348785961	/nfs/dbraw/zinc/78/59/61/348785961.db2.gz	KJSVUOWSHGBTFI-UHFFFAOYSA-N	-1	1	289.291	0.299	50	0		CCAAMM
CSCC(C)(C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000252480203	352515751	/nfs/dbraw/zinc/51/57/51/352515751.db2.gz	BXXBOMIYDAAKQQ-UHFFFAOYSA-N	-1	1	292.386	0.536	50	0		CCAAMM
CSCC(C)(C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000252480203	352515753	/nfs/dbraw/zinc/51/57/53/352515753.db2.gz	BXXBOMIYDAAKQQ-UHFFFAOYSA-N	-1	1	292.386	0.536	50	0		CCAAMM
C[NH+](C)[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)C[C@@H]1O	ZINC000584902178	359242906	/nfs/dbraw/zinc/24/29/06/359242906.db2.gz	UPHYJFDHZDXWEE-JQWIXIFHSA-N	-1	1	268.288	0.278	50	0		CCAAMM
COc1cccc([C@@H]2[N-]S(=O)(=O)N=C2N)c1OC	ZINC000005093812	388762747	/nfs/dbraw/zinc/76/27/47/388762747.db2.gz	OGKDMAKTYKHLET-QMMMGPOBSA-N	-1	1	271.298	0.160	50	0		CCAAMM
Nn1c(=O)c(Cc2ccc(O)cc2)n[n-]c1=S	ZINC000101489398	389072891	/nfs/dbraw/zinc/07/28/91/389072891.db2.gz	PCWVEYULDCMBMK-UHFFFAOYSA-N	-1	1	250.283	0.311	50	0		CCAAMM
Nc1n[n-]c(S(=O)(=O)CCc2ccccc2)n1	ZINC000008015695	170313478	/nfs/dbraw/zinc/31/34/78/170313478.db2.gz	QSULSVGCMRYJAD-UHFFFAOYSA-N	-1	1	252.299	0.403	50	0		CCAAMM
Nc1nc(S(=O)(=O)CCc2ccccc2)n[n-]1	ZINC000008015695	170313480	/nfs/dbraw/zinc/31/34/80/170313480.db2.gz	QSULSVGCMRYJAD-UHFFFAOYSA-N	-1	1	252.299	0.403	50	0		CCAAMM
CCc1ccc2c(c1)/C(=C1/NC(=S)[N-]C1=O)C(=O)N2	ZINC000100161454	276673694	/nfs/dbraw/zinc/67/36/94/276673694.db2.gz	BAXLPGZJUXQOOZ-KTKRTIGZSA-N	-1	1	273.317	0.917	50	0		CCAAMM
CC(=O)N[C@@H](C(Cl)(Cl)Cl)[P@](=O)([O-])O	ZINC000027023664	278126761	/nfs/dbraw/zinc/12/67/61/278126761.db2.gz	OZMCKSGKGHEMGG-GSVOUGTGSA-N	-1	1	270.436	0.997	50	0		CCAAMM
Cc1ncsc1[C@@H]1CC(=O)Nc2nc(N)[n-]c(=O)c21	ZINC000585655782	570392585	/nfs/dbraw/zinc/39/25/85/570392585.db2.gz	LIQKBXLUQWLBND-RXMQYKEDSA-N	-1	1	277.309	0.834	50	0		CCAAMM
O=C([O-])[C@@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21	ZINC000001871563	574411649	/nfs/dbraw/zinc/41/16/49/574411649.db2.gz	ZWMZDKZTZLGVRQ-GXSJLCMTSA-N	-1	1	260.249	0.893	50	0	endogenous,in-man	CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-]CC1(n2cccn2)CC1	ZINC000952995443	649615594	/nfs/dbraw/zinc/61/55/94/649615594.db2.gz	MNVJIKSRMWARHU-UHFFFAOYSA-N	-1	1	297.340	0.229	50	0		CCAAMM
CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)C1CC1	ZINC000095974982	185049713	/nfs/dbraw/zinc/04/97/13/185049713.db2.gz	OOUAWUDMHIGCFM-UHFFFAOYSA-N	-1	1	272.326	0.812	50	0		CCAAMM
CCOC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000100021563	349655285	/nfs/dbraw/zinc/65/52/85/349655285.db2.gz	ILMOMEKRIPWEMJ-UHFFFAOYSA-N	-1	1	250.258	0.222	50	0		CCAAMM
O=c1cc(CSc2nnnn2-c2ccccc2)[n-][nH]1	ZINC000100121042	185706646	/nfs/dbraw/zinc/70/66/46/185706646.db2.gz	WHGHQICOEWLCDV-UHFFFAOYSA-N	-1	1	274.309	0.630	50	0		CCAAMM
O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O	ZINC000000129993	347940120	/nfs/dbraw/zinc/94/01/20/347940120.db2.gz	CTUUVOUXZNQMSU-NSHDSACASA-N	-1	1	285.259	0.702	50	0	in-vitro	CCAAMM
NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[n-]1	ZINC000000619426	347951592	/nfs/dbraw/zinc/95/15/92/347951592.db2.gz	UCASKLWVMXHOOO-UHFFFAOYSA-N	-1	1	276.321	0.597	50	0		CCAAMM
Cc1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(N)=O)cc1	ZINC000001270307	347953268	/nfs/dbraw/zinc/95/32/68/347953268.db2.gz	OQMLUDWVFQVBHR-UHFFFAOYSA-N	-1	1	281.297	0.013	50	0		CCAAMM
Cc1c(CCO)c(=O)[n-]n1S(=O)(=O)c1ccccc1	ZINC000001395007	347954595	/nfs/dbraw/zinc/95/45/95/347954595.db2.gz	BLNDDNIXPPPDKG-UHFFFAOYSA-N	-1	1	282.321	0.257	50	0		CCAAMM
CCOC(=O)N1CCN(c2nc3c(c(=O)[n-]2)CCC3)CC1	ZINC000006697171	348005289	/nfs/dbraw/zinc/00/52/89/348005289.db2.gz	AYEUZIKMXCVMBD-UHFFFAOYSA-N	-1	1	292.339	0.537	50	0		CCAAMM
COc1ccc(-n2c([O-])cc(=O)[nH]c2=O)c(OC)c1	ZINC000006667458	348005673	/nfs/dbraw/zinc/00/56/73/348005673.db2.gz	XOCUTHHHHWKXLI-UHFFFAOYSA-N	-1	1	264.237	0.677	50	0		CCAAMM
CSCC[C@@H](Nc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000017299778	348053486	/nfs/dbraw/zinc/05/34/86/348053486.db2.gz	UGFXVFBUWNUQKH-ZCFIWIBFSA-N	-1	1	267.314	0.971	50	0		CCAAMM
CCN(CC)C(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000018207959	348057234	/nfs/dbraw/zinc/05/72/34/348057234.db2.gz	GVLGYMNNHQFLQC-UHFFFAOYSA-N	-1	1	256.331	0.313	50	0		CCAAMM
C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H]1CCCO1	ZINC000028326129	348106739	/nfs/dbraw/zinc/10/67/39/348106739.db2.gz	LEZMEBGEAWKHFN-HTQZYQBOSA-N	-1	1	293.776	0.919	50	0		CCAAMM
CCOc1ccccc1-n1c(Cc2nn[n-]n2)n[nH]c1=O	ZINC000065506954	348719865	/nfs/dbraw/zinc/71/98/65/348719865.db2.gz	KHXNYWPAPDYLIW-UHFFFAOYSA-N	-1	1	287.283	0.063	50	0		CCAAMM
Cc1cc(F)ccc1CC(=O)N1CCN(C)[C@H](C(=O)[O-])C1	ZINC000067473243	348776198	/nfs/dbraw/zinc/77/61/98/348776198.db2.gz	TVHXLLXQCZIKPZ-ZDUSSCGKSA-N	-1	1	294.326	0.904	50	0		CCAAMM
Cc1nnc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)[nH]1	ZINC000067642463	348780866	/nfs/dbraw/zinc/78/08/66/348780866.db2.gz	FAEFNMLLWBGLIQ-ZETCQYMHSA-N	-1	1	298.306	0.841	50	0		CCAAMM
Cc1cccc(CC(=O)N2CCN(C)[C@H](C(=O)[O-])C2)c1	ZINC000067724156	348783231	/nfs/dbraw/zinc/78/32/31/348783231.db2.gz	YJDOINOOGDMAOR-ZDUSSCGKSA-N	-1	1	276.336	0.765	50	0		CCAAMM
COc1ccc(-n2cnnc2Cc2nnn[n-]2)cc1	ZINC000067805408	348785823	/nfs/dbraw/zinc/78/58/23/348785823.db2.gz	GRZQQEDKYDXMIJ-UHFFFAOYSA-N	-1	1	257.257	0.380	50	0		CCAAMM
COc1ccc(-n2cnnc2Cc2nn[n-]n2)cc1	ZINC000067805408	348785827	/nfs/dbraw/zinc/78/58/27/348785827.db2.gz	GRZQQEDKYDXMIJ-UHFFFAOYSA-N	-1	1	257.257	0.380	50	0		CCAAMM
CCc1nc(S(=O)(=O)C[C@@H]2CCCCO2)n[n-]1	ZINC000083817288	349311693	/nfs/dbraw/zinc/31/16/93/349311693.db2.gz	YEEHGPGJTDYACJ-QMMMGPOBSA-N	-1	1	259.331	0.710	50	0		CCAAMM
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cnc[nH]1)CC2	ZINC000091859767	180275094	/nfs/dbraw/zinc/27/50/94/180275094.db2.gz	BDUAMUAOIGKCPE-LLVKDONJSA-N	-1	1	292.339	0.307	50	0		CCAAMM
CN(Cc1ccccc1OCC(=O)[O-])C[C@@H]1COCCO1	ZINC000215172328	351935167	/nfs/dbraw/zinc/93/51/67/351935167.db2.gz	XGQOSQDJWHAXDF-CYBMUJFWSA-N	-1	1	295.335	0.997	50	0		CCAAMM
CN(C)c1ncc(CN2CCC(C(=O)[O-])CC2)cn1	ZINC000218466283	351958904	/nfs/dbraw/zinc/95/89/04/351958904.db2.gz	LCSLDVDPUIMPIU-UHFFFAOYSA-N	-1	1	264.329	0.839	50	0		CCAAMM
CC[C@@H](NC(=O)Cc1c(C)[n-][nH]c1=O)[C@H]1C[C@H](O)C1	ZINC000244874437	352314485	/nfs/dbraw/zinc/31/44/85/352314485.db2.gz	XBFPLUJOFXEUFV-FXPVBKGRSA-N	-1	1	267.329	0.220	50	0		CCAAMM
O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ncccc1[O-]	ZINC000375892721	295909736	/nfs/dbraw/zinc/90/97/36/295909736.db2.gz	VSDXARXCVUJYKS-NSHDSACASA-N	-1	1	283.287	0.932	50	0		CCAAMM
CNC(=O)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000584888079	359228316	/nfs/dbraw/zinc/22/83/16/359228316.db2.gz	GVIJLTIWJBCSOH-SECBINFHSA-N	-1	1	263.297	0.385	50	0		CCAAMM
O=C([O-])CNC(=O)CCCN1Cc2ccccc2C1	ZINC000426406081	389665483	/nfs/dbraw/zinc/66/54/83/389665483.db2.gz	JSRVAGPAXCISHN-UHFFFAOYSA-N	-1	1	262.309	0.983	50	0		CCAAMM
Cc1n[nH]c(CCC(=O)N[C@H](CC(=O)[O-])C(C)C)n1	ZINC000426707226	389677866	/nfs/dbraw/zinc/67/78/66/389677866.db2.gz	NWAMMELZFYQZIQ-SECBINFHSA-N	-1	1	268.317	0.661	50	0		CCAAMM
Cc1nc(CCC(=O)N[C@H](CC(=O)[O-])C(C)C)n[nH]1	ZINC000426707226	389677867	/nfs/dbraw/zinc/67/78/67/389677867.db2.gz	NWAMMELZFYQZIQ-SECBINFHSA-N	-1	1	268.317	0.661	50	0		CCAAMM
CN1C(=O)C(=C([O-])c2cc(Cl)c[nH]2)C(=O)N(C)C1=O	ZINC000103502003	397407329	/nfs/dbraw/zinc/40/73/29/397407329.db2.gz	HHUDQNIMPTVFHM-UHFFFAOYSA-N	-1	1	283.671	0.517	50	0		CCAAMM
COCC(=O)Nc1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000018221953	292184426	/nfs/dbraw/zinc/18/44/26/292184426.db2.gz	HEIYCMHEUIEJMQ-UHFFFAOYSA-N	-1	1	251.246	0.032	50	0		CCAAMM
CCc1cc(=O)[n-]c(SCC(=O)N2CCOCC2)n1	ZINC000005154902	170071152	/nfs/dbraw/zinc/07/11/52/170071152.db2.gz	MLCQVBSQJQIZHS-UHFFFAOYSA-N	-1	1	283.353	0.283	50	0		CCAAMM
Cc1nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c(=O)c1C	ZINC000008025830	170314572	/nfs/dbraw/zinc/31/45/72/170314572.db2.gz	JPPKQVGDWJXRHL-JTQLQIEISA-N	-1	1	297.380	0.774	50	0		CCAAMM
CN(C)C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000008516766	170338806	/nfs/dbraw/zinc/33/88/06/170338806.db2.gz	NEROIZGPYKCALA-UHFFFAOYSA-N	-1	1	278.280	0.331	50	0		CCAAMM
COc1ccccc1-n1c([O-])c(C(C)=O)c(=O)[nH]c1=O	ZINC000009190174	170365794	/nfs/dbraw/zinc/36/57/94/170365794.db2.gz	COBIMIFGCDRPGY-UHFFFAOYSA-N	-1	1	276.248	0.443	50	0		CCAAMM
CCOC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000009489218	170378640	/nfs/dbraw/zinc/37/86/40/170378640.db2.gz	CISVCLWKBHPBBE-UHFFFAOYSA-N	-1	1	250.258	0.634	50	0		CCAAMM
CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1	ZINC000022467920	171388812	/nfs/dbraw/zinc/38/88/12/171388812.db2.gz	YUSRJEQLYSEIHK-UHFFFAOYSA-N	-1	1	272.308	0.723	50	0		CCAAMM
CCCc1nnc(C(=O)N2CCc3[n-][nH]c(=O)c3CC2)o1	ZINC000071764225	176261676	/nfs/dbraw/zinc/26/16/76/176261676.db2.gz	GXYHZLQRDLQVSX-UHFFFAOYSA-N	-1	1	291.311	0.692	50	0		CCAAMM
C[C@@](O)(CNS(=O)(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000090276716	544520796	/nfs/dbraw/zinc/52/07/96/544520796.db2.gz	FZTSRXZTPPKKHH-SNVBAGLBSA-N	-1	1	295.263	0.079	50	0		CCAAMM
C[C@H](NC(=O)C=Cc1ccccc1)c1nc(=O)[n-][nH]1	ZINC000216240167	544812996	/nfs/dbraw/zinc/81/29/96/544812996.db2.gz	ONEIEPVSCQBRMF-FLOXNTQESA-N	-1	1	258.281	0.989	50	0		CCAAMM
O=C([O-])[C@H]1[C@@H]2CN(CC(=O)NCc3cccs3)C[C@@H]21	ZINC000534574436	328309523	/nfs/dbraw/zinc/30/95/23/328309523.db2.gz	PJDYXAFJIMYEHJ-IAZYJMLFSA-N	-1	1	280.349	0.627	50	0		CCAAMM
CCO[C@H]1COC[C@@H]1NC(=O)c1cncc([O-])c1	ZINC000534589625	328317566	/nfs/dbraw/zinc/31/75/66/328317566.db2.gz	VTIPXKUSLHSSTO-QWRGUYRKSA-N	-1	1	252.270	0.321	50	0		CCAAMM
C[C@@H](Oc1ccc(/C=C2\NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000014011426	533918700	/nfs/dbraw/zinc/91/87/00/533918700.db2.gz	OWTWMCDGDJMLEM-LWYMYGMPSA-N	-1	1	276.248	0.719	50	0		CCAAMM
CCOC(=O)CCN(C[P@H](=O)[O-])C(=O)OCC	ZINC000004524608	519086037	/nfs/dbraw/zinc/08/60/37/519086037.db2.gz	ROTJRYCPMYUBSD-UHFFFAOYSA-N	-1	1	267.218	0.823	50	0		CCAAMM
Cc1nc(CC(=O)N[C@H](CC(C)C)C(=O)[O-])n[nH]1	ZINC000863981844	645152824	/nfs/dbraw/zinc/15/28/24/645152824.db2.gz	NSAPIQCHCXYQQP-MRVPVSSYSA-N	-1	1	254.290	0.271	50	0		CCAAMM
CCN1Cc2ccccc2C[C@H]1C(=O)NCc1nn[n-]n1	ZINC000952868949	841571707	/nfs/dbraw/zinc/57/17/07/841571707.db2.gz	JCMBAXLCVUWELZ-LBPRGKRZSA-N	-1	1	286.339	0.263	50	0		CCAAMM
COCCN(C)[C@@H](C(=O)[O-])c1ccc(CO)cc1	ZINC000095375902	349604868	/nfs/dbraw/zinc/60/48/68/349604868.db2.gz	VLTXNPBSWNUEQC-GFCCVEGCSA-N	-1	1	253.298	0.883	50	0		CCAAMM
COc1ccc(Cc2n[n-]c(=S)n(N)c2=O)cc1	ZINC000100123609	349655905	/nfs/dbraw/zinc/65/59/05/349655905.db2.gz	QLZDNQGMVXBSOY-UHFFFAOYSA-N	-1	1	264.310	0.614	50	0		CCAAMM
COc1cccc(/C=C2\NC(=S)[N-]C2=O)c1O	ZINC000100530979	349658546	/nfs/dbraw/zinc/65/85/46/349658546.db2.gz	BXSAFOKCMAPIMY-ALCCZGGFSA-N	-1	1	250.279	0.746	50	0		CCAAMM
Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])n[nH]1	ZINC000128252405	187360090	/nfs/dbraw/zinc/36/00/90/187360090.db2.gz	IZTPIMSJPOTBAD-MRVPVSSYSA-N	-1	1	253.258	0.034	50	0		CCAAMM
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)[O-])CC2)C1	ZINC000035126962	348157713	/nfs/dbraw/zinc/15/77/13/348157713.db2.gz	ZPEBEKHBEQIZHU-CHWSQXEVSA-N	-1	1	297.399	0.193	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)COC)o1	ZINC000044973325	348331067	/nfs/dbraw/zinc/33/10/67/348331067.db2.gz	IGULZEXPBNDHSI-QMMMGPOBSA-N	-1	1	290.341	0.295	50	0		CCAAMM
CC1CCC(N2C[C@H](C(=O)Nc3nnn[n-]3)CC2=O)CC1	ZINC000066927692	348761299	/nfs/dbraw/zinc/76/12/99/348761299.db2.gz	SOHKMIKNUZRVHF-HWOCKDDLSA-N	-1	1	292.343	0.565	50	0		CCAAMM
CC1CCC(N2C[C@H](C(=O)Nc3nn[n-]n3)CC2=O)CC1	ZINC000066927692	348761301	/nfs/dbraw/zinc/76/13/01/348761301.db2.gz	SOHKMIKNUZRVHF-HWOCKDDLSA-N	-1	1	292.343	0.565	50	0		CCAAMM
CO[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000069461279	348846683	/nfs/dbraw/zinc/84/66/83/348846683.db2.gz	RMJGUIJQTMMFSP-LLVKDONJSA-N	-1	1	278.308	0.721	50	0		CCAAMM
CCc1nc(S(=O)(=O)C[C@H]2CCCCO2)n[n-]1	ZINC000083817291	349311902	/nfs/dbraw/zinc/31/19/02/349311902.db2.gz	YEEHGPGJTDYACJ-MRVPVSSYSA-N	-1	1	259.331	0.710	50	0		CCAAMM
CN(Cc1[nH]c(=O)[nH]c1C(=O)[O-])C[C@@H]1CCCCO1	ZINC000215605737	351936642	/nfs/dbraw/zinc/93/66/42/351936642.db2.gz	FWKXOVVWQVBGJT-QMMMGPOBSA-N	-1	1	269.301	0.402	50	0		CCAAMM
CN1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H]1CO	ZINC000215886376	351938436	/nfs/dbraw/zinc/93/84/36/351938436.db2.gz	HSHJDGPFPWFCBI-SNVBAGLBSA-N	-1	1	284.743	0.794	50	0		CCAAMM
CCc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)n[nH]1	ZINC000531748113	358478867	/nfs/dbraw/zinc/47/88/67/358478867.db2.gz	MDNOXOOUXCJZNV-UHFFFAOYSA-N	-1	1	281.312	0.678	50	0		CCAAMM
O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(=O)[n-]o1	ZINC000215561157	189694945	/nfs/dbraw/zinc/69/49/45/189694945.db2.gz	UTJDUWHWNYOXHY-UHFFFAOYSA-N	-1	1	276.227	0.913	50	0		CCAAMM
C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc([O-])cc1	ZINC000049489300	388920754	/nfs/dbraw/zinc/92/07/54/388920754.db2.gz	FQCACOXGOVCUNP-QMMMGPOBSA-N	-1	1	269.322	0.833	50	0		CCAAMM
CN1c2ccccc2/C(=C2/NC(=S)[N-]C2=O)C1=O	ZINC000100285610	389071385	/nfs/dbraw/zinc/07/13/85/389071385.db2.gz	JNSJFAYUGCDBBT-HJWRWDBZSA-N	-1	1	259.290	0.378	50	0		CCAAMM
COc1ccc(CCS(=O)(=O)c2nc[n-]n2)cc1	ZINC000195579513	389128521	/nfs/dbraw/zinc/12/85/21/389128521.db2.gz	YZVQDBDKWXGFGL-UHFFFAOYSA-N	-1	1	267.310	0.830	50	0		CCAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)N1CCCC1	ZINC000021807856	171328201	/nfs/dbraw/zinc/32/82/01/171328201.db2.gz	WAHAQTAZQREMAS-UHFFFAOYSA-N	-1	1	279.325	0.773	50	0		CCAAMM
O=C([O-])C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1	ZINC000037433261	173203992	/nfs/dbraw/zinc/20/39/92/173203992.db2.gz	LKUMSSJVJLTUQY-UHFFFAOYSA-N	-1	1	274.280	0.895	50	0		CCAAMM
CCCn1cc(C(=O)N2CCN[C@H](C(=O)[O-])C2)c(C)n1	ZINC000071404198	176155482	/nfs/dbraw/zinc/15/54/82/176155482.db2.gz	MYGYNHWPKCWLMK-NSHDSACASA-N	-1	1	280.328	0.100	50	0		CCAAMM
CCN1c2ccccc2/C(=C2\NC(=S)[N-]C2=O)C1=O	ZINC000005686912	276254876	/nfs/dbraw/zinc/25/48/76/276254876.db2.gz	QGGGVCILGXYGCV-MDZDMXLPSA-N	-1	1	273.317	0.769	50	0		CCAAMM
COc1ccccc1[C@@H]1CC(=O)Nc2nc(N)[n-]c(=O)c21	ZINC000004944778	295386296	/nfs/dbraw/zinc/38/62/96/295386296.db2.gz	IWVLDALWLCXFNS-QMMMGPOBSA-N	-1	1	286.291	0.835	50	0		CCAAMM
O=c1c2c([n-]n1[C@H]1CCS(=O)(=O)C1)CCCC2	ZINC000101449758	304795550	/nfs/dbraw/zinc/79/55/50/304795550.db2.gz	QDPYFNCAEVQYNZ-QMMMGPOBSA-N	-1	1	256.327	0.827	50	0		CCAAMM
COCc1noc(C[N-]S(=O)(=O)c2cccnc2)n1	ZINC000534649179	328343516	/nfs/dbraw/zinc/34/35/16/328343516.db2.gz	PUJFHOZIHZPMQH-UHFFFAOYSA-N	-1	1	284.297	0.090	50	0		CCAAMM
CCc1noc([C@H](C)[N-]S(=O)(=O)c2cnn(CC)c2)n1	ZINC000823603581	821525696	/nfs/dbraw/zinc/52/56/96/821525696.db2.gz	ROANJBYWYOJCLB-QMMMGPOBSA-N	-1	1	299.356	0.888	50	0		CCAAMM
COc1ccccc1NN/C=C1/C(=O)[N-]C(=S)NC1=O	ZINC000095471028	349613694	/nfs/dbraw/zinc/61/36/94/349613694.db2.gz	OVNGUCXJDVCMQN-UHFFFAOYSA-N	-1	1	292.320	0.867	50	0		CCAAMM
COc1ccccc1NN/C=C1\C(=O)[N-]C(=S)NC1=O	ZINC000095471028	349613696	/nfs/dbraw/zinc/61/36/96/349613696.db2.gz	OVNGUCXJDVCMQN-UHFFFAOYSA-N	-1	1	292.320	0.867	50	0		CCAAMM
COc1ccccc1NNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000095471028	349613699	/nfs/dbraw/zinc/61/36/99/349613699.db2.gz	OVNGUCXJDVCMQN-UHFFFAOYSA-N	-1	1	292.320	0.867	50	0		CCAAMM
CO[C@@H]1CCCN(Cc2[nH]c(=O)[nH]c2C(=O)[O-])C1	ZINC000097347276	349638983	/nfs/dbraw/zinc/63/89/83/349638983.db2.gz	ZVGVEHIARMFMSH-SSDOTTSWSA-N	-1	1	255.274	0.012	50	0		CCAAMM
[NH3+][C@](CCC[P@](=O)([O-])O)(Cc1ccccc1)C(=O)[O-]	ZINC000002139831	347965338	/nfs/dbraw/zinc/96/53/38/347965338.db2.gz	INNSNCKMMLGBAD-GFCCVEGCSA-N	-1	1	287.252	0.969	50	0	biogenic	CCAAMM
O=C([O-])C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O	ZINC000000424886	347947447	/nfs/dbraw/zinc/94/74/47/347947447.db2.gz	PMJDDDWRTVLZAH-MRVPVSSYSA-N	-1	1	275.289	0.829	50	0		CCAAMM
Cc1ccnc(NC(=O)CSc2nc(N)cc(=O)[n-]2)c1	ZINC000000467891	347948254	/nfs/dbraw/zinc/94/82/54/347948254.db2.gz	OVLKJHYMKBMHCL-UHFFFAOYSA-N	-1	1	291.336	0.786	50	0		CCAAMM
CCOC(=O)Cc1cc(=O)n(-c2ccc(C(=O)[O-])cc2)[nH]1	ZINC000004206161	347991160	/nfs/dbraw/zinc/99/11/60/347991160.db2.gz	KUNPFEIAGGXAPW-UHFFFAOYSA-N	-1	1	290.275	0.969	50	0		CCAAMM
c1cc(N2CCOCC2)ccc1CN=Nc1nnn[n-]1	ZINC000015938678	348043386	/nfs/dbraw/zinc/04/33/86/348043386.db2.gz	GOGNLAVBTYAGTM-UHFFFAOYSA-N	-1	1	273.300	0.482	50	0		CCAAMM
c1cc(N2CCOCC2)ccc1CN=Nc1nn[n-]n1	ZINC000015938678	348043390	/nfs/dbraw/zinc/04/33/90/348043390.db2.gz	GOGNLAVBTYAGTM-UHFFFAOYSA-N	-1	1	273.300	0.482	50	0		CCAAMM
Cn1c(=O)cc([O-])nc1SCC(=O)NC(C)(C)C	ZINC000017945691	348056245	/nfs/dbraw/zinc/05/62/45/348056245.db2.gz	FNUBHLDYAFWZEM-UHFFFAOYSA-N	-1	1	271.342	0.493	50	0		CCAAMM
COCc1noc(-c2nc3c([n-]2)C(=O)NCC(C)(C)C3)n1	ZINC000065505769	348719116	/nfs/dbraw/zinc/71/91/16/348719116.db2.gz	XPKLCCQKOIEXKG-UHFFFAOYSA-N	-1	1	291.311	0.918	50	0		CCAAMM
O=C(CCc1ccc2c(c1)CCO2)Nc1nnn[n-]1	ZINC000079501489	349180781	/nfs/dbraw/zinc/18/07/81/349180781.db2.gz	LGVDYIRIFAGMDV-UHFFFAOYSA-N	-1	1	259.269	0.706	50	0		CCAAMM
O=C(CCc1ccc2c(c1)CCO2)Nc1nn[n-]n1	ZINC000079501489	349180785	/nfs/dbraw/zinc/18/07/85/349180785.db2.gz	LGVDYIRIFAGMDV-UHFFFAOYSA-N	-1	1	259.269	0.706	50	0		CCAAMM
CCCc1cc(N2CC[N@@H+](C)[C@@H](C(=O)[O-])C2)nc(C)n1	ZINC000216483760	351941991	/nfs/dbraw/zinc/94/19/91/351941991.db2.gz	XIXMWRJCTMOMHG-GFCCVEGCSA-N	-1	1	278.356	0.943	50	0		CCAAMM
Nc1nnc(CNC(=O)c2ccc3[nH]nnc3c2)s1	ZINC000223606894	351988190	/nfs/dbraw/zinc/98/81/90/351988190.db2.gz	ADQVTRYVUQHKMJ-UHFFFAOYSA-N	-1	1	275.297	0.322	50	0		CCAAMM
COC(=O)c1ccc([O-])c(NC(=O)CC(=O)N(C)C)c1	ZINC000225737655	352013156	/nfs/dbraw/zinc/01/31/56/352013156.db2.gz	PPDFGBXXWCMQJG-UHFFFAOYSA-N	-1	1	280.280	0.596	50	0		CCAAMM
CC(=O)N1CCN(C(=O)c2ccc([O-])cc2F)C[C@H](O)C1	ZINC000299797059	354053835	/nfs/dbraw/zinc/05/38/35/354053835.db2.gz	OMPTWMPDGKGTLN-LLVKDONJSA-N	-1	1	296.298	0.197	50	0		CCAAMM
O=C(CCC(=O)c1cccs1)Nc1ncn[n-]1	ZINC000023142723	388800817	/nfs/dbraw/zinc/80/08/17/388800817.db2.gz	RLCGNSDKHHPSRG-UHFFFAOYSA-N	-1	1	250.283	0.890	50	0		CCAAMM
COc1cc(/C=C2/NC(=S)[N-]C2=O)cc(OC)c1O	ZINC000012418357	388783400	/nfs/dbraw/zinc/78/34/00/388783400.db2.gz	NJSXTMCVJJZBDG-XVNBXDOJSA-N	-1	1	280.305	0.755	50	0		CCAAMM
COc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000036092295	388838626	/nfs/dbraw/zinc/83/86/26/388838626.db2.gz	LMLSSYWZBJKKEA-LBPRGKRZSA-N	-1	1	289.291	0.844	50	0	biogenic,in-vitro	CCAAMM
Cc1nnc(N2C[C@H](CC(=O)[O-])[C@H](c3c[nH]nn3)C2)s1	ZINC000299778369	389042009	/nfs/dbraw/zinc/04/20/09/389042009.db2.gz	QIPKBIAXFZUMKA-JGVFFNPUSA-N	-1	1	294.340	0.659	50	0		CCAAMM
Cc1nnc(N2C[C@H](CC(=O)[O-])[C@H](c3cnn[nH]3)C2)s1	ZINC000299778369	389042012	/nfs/dbraw/zinc/04/20/12/389042012.db2.gz	QIPKBIAXFZUMKA-JGVFFNPUSA-N	-1	1	294.340	0.659	50	0		CCAAMM
Cc1[nH]nc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1C	ZINC000426380334	389664554	/nfs/dbraw/zinc/66/45/54/389664554.db2.gz	FSACOKHMSZFWAZ-NSHDSACASA-N	-1	1	281.312	0.271	50	0		CCAAMM
FC(F)(F)c1cc(NCc2nn[n-]n2)n2ncnc2n1	ZINC000584906918	390356335	/nfs/dbraw/zinc/35/63/35/390356335.db2.gz	KBVJLNXKLJHLJL-UHFFFAOYSA-N	-1	1	285.193	0.268	50	0		CCAAMM
C[C@H]1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H](C)C1	ZINC000544757315	285841954	/nfs/dbraw/zinc/84/19/54/285841954.db2.gz	SGADDNPLBIMMLY-MYJAWHEDSA-N	-1	1	289.339	0.972	50	0		CCAAMM
CCOC(=O)c1c(N)n(C(=O)c2ccccc2)[n-]c1=O	ZINC000004721353	170004892	/nfs/dbraw/zinc/00/48/92/170004892.db2.gz	ZHVQACZWWWBFKJ-UHFFFAOYSA-N	-1	1	275.264	0.624	50	0		CCAAMM
c1ccc(-n2nnnc2SCc2nn[n-]n2)cc1	ZINC000006557736	170213103	/nfs/dbraw/zinc/21/31/03/170213103.db2.gz	XSBHYLGNWXMLTH-UHFFFAOYSA-N	-1	1	260.286	0.468	50	0		CCAAMM
Nc1n[n-]c(S(=O)(=O)Cc2ccc(F)cc2)n1	ZINC000008015727	170313726	/nfs/dbraw/zinc/31/37/26/170313726.db2.gz	KTBCBQYEPKRGMA-UHFFFAOYSA-N	-1	1	256.262	0.500	50	0		CCAAMM
Nc1nc(S(=O)(=O)Cc2ccc(F)cc2)n[n-]1	ZINC000008015727	170313727	/nfs/dbraw/zinc/31/37/27/170313727.db2.gz	KTBCBQYEPKRGMA-UHFFFAOYSA-N	-1	1	256.262	0.500	50	0		CCAAMM
COc1cccc([C@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)c1	ZINC000009317867	170371648	/nfs/dbraw/zinc/37/16/48/170371648.db2.gz	RKKHKCXYWWGKQE-SECBINFHSA-N	-1	1	286.291	0.835	50	0		CCAAMM
O=C([O-])[C@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1	ZINC000037435451	173206680	/nfs/dbraw/zinc/20/66/80/173206680.db2.gz	WRSGXPIZEUMBGG-SNVBAGLBSA-N	-1	1	260.253	0.647	50	0		CCAAMM
O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccccc2)CCN1	ZINC000071479590	176187663	/nfs/dbraw/zinc/18/76/63/176187663.db2.gz	CGGWEKUHXNLNSY-NNNHXZLVSA-N	-1	1	260.293	0.585	50	0		CCAAMM
CN(C)c1cccc(C(=O)NCc2nc(=O)[n-][nH]2)c1	ZINC000216023346	544814330	/nfs/dbraw/zinc/81/43/30/544814330.db2.gz	VAXHODHTZXKQNA-UHFFFAOYSA-N	-1	1	261.285	0.094	50	0		CCAAMM
CCOC(=O)c1cnn(-c2nc(C)cc(=O)[n-]2)c1N	ZINC000011729664	276302724	/nfs/dbraw/zinc/30/27/24/276302724.db2.gz	OGKKJBQATKFUPV-UHFFFAOYSA-N	-1	1	263.257	0.435	50	0		CCAAMM
CSCc1noc(-c2nc3c([n-]2)C(=O)NCCC3)n1	ZINC000095503352	649760287	/nfs/dbraw/zinc/76/02/87/649760287.db2.gz	BNKQPYDCTMDIPQ-UHFFFAOYSA-N	-1	1	279.325	0.999	50	0		CCAAMM
COc1cccc(C(=O)NC[C@H](C)c2nn[n-]n2)c1F	ZINC000097377534	349640136	/nfs/dbraw/zinc/64/01/36/349640136.db2.gz	BTAQSCIUOMJJKV-ZETCQYMHSA-N	-1	1	279.275	0.881	50	0		CCAAMM
Cc1nc2cc(C)ccn2c1C(=O)NCc1nn[n-]n1	ZINC000097527839	349643556	/nfs/dbraw/zinc/64/35/56/349643556.db2.gz	RALVLEUMHRTYEB-UHFFFAOYSA-N	-1	1	271.284	0.394	50	0		CCAAMM
C[C@H]1C[C@H](C)C([O-])=C(C(=O)CC2CC(=O)NC(=O)C2)C1=O	ZINC000100538060	349658777	/nfs/dbraw/zinc/65/87/77/349658777.db2.gz	HVVJIIFHRADPPT-YUMQZZPRSA-N	-1	1	293.319	0.429	50	0		CCAAMM
O=c1c2c3c(sc2ncn1Cc1nn[n-]n1)CCCC3	ZINC000004511491	347995947	/nfs/dbraw/zinc/99/59/47/347995947.db2.gz	QSBQXAOOVSQABJ-UHFFFAOYSA-N	-1	1	288.336	0.898	50	0	in-vivo	CCAAMM
C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(N)cc(=O)[n-]2)C1	ZINC000013598461	348028337	/nfs/dbraw/zinc/02/83/37/348028337.db2.gz	ASCWPLGREFNBDI-IUCAKERBSA-N	-1	1	296.396	0.949	50	0		CCAAMM
COc1cc(=O)[n-]c(SCC(=O)Nc2cc(C)on2)n1	ZINC000004632249	347999058	/nfs/dbraw/zinc/99/90/58/347999058.db2.gz	ZEVDFVHQGCZPIM-UHFFFAOYSA-N	-1	1	296.308	0.806	50	0		CCAAMM
COc1ccc([O-])c(C(=O)c2cnn(C(N)=O)c2)c1	ZINC000014248968	348034334	/nfs/dbraw/zinc/03/43/34/348034334.db2.gz	MISDATQQDBMYAG-UHFFFAOYSA-N	-1	1	261.237	0.755	50	0		CCAAMM
COc1ccc(C)cc1-n1cnnc1Cc1nnn[n-]1	ZINC000067833357	348786377	/nfs/dbraw/zinc/78/63/77/348786377.db2.gz	GCOIADDUSMPBSE-UHFFFAOYSA-N	-1	1	271.284	0.688	50	0		CCAAMM
COc1ccc(C)cc1-n1cnnc1Cc1nn[n-]n1	ZINC000067833357	348786382	/nfs/dbraw/zinc/78/63/82/348786382.db2.gz	GCOIADDUSMPBSE-UHFFFAOYSA-N	-1	1	271.284	0.688	50	0		CCAAMM
NN=c1nncc(CS(=O)(=O)c2ccccc2)[n-]1	ZINC000082317323	349298474	/nfs/dbraw/zinc/29/84/74/349298474.db2.gz	DEKBZFOMBFNWKR-UHFFFAOYSA-N	-1	1	265.298	0.131	50	0		CCAAMM
O=C([C@@H]1C[C@H]1C1CC1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000221689312	351980022	/nfs/dbraw/zinc/98/00/22/351980022.db2.gz	SVGARPXTLHEWAT-OUAUKWLOSA-N	-1	1	261.329	0.952	50	0		CCAAMM
C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000225436085	352004624	/nfs/dbraw/zinc/00/46/24/352004624.db2.gz	UBWPVGVKAWBTLC-BBBLOLIVSA-N	-1	1	283.328	0.553	50	0		CCAAMM
C[N@H+]1CCN2CCN(C(=O)c3ccc(F)c(O)c3)C[C@H]2C1	ZINC000253378346	352532121	/nfs/dbraw/zinc/53/21/21/352532121.db2.gz	CIIDUCQPYSILKJ-GFCCVEGCSA-N	-1	1	293.342	0.603	50	0		CCAAMM
CCc1nc(C)c(C(=O)NCCCc2nn[n-]n2)o1	ZINC000584888072	359227530	/nfs/dbraw/zinc/22/75/30/359227530.db2.gz	XDLCBKFPAGWING-UHFFFAOYSA-N	-1	1	264.289	0.421	50	0		CCAAMM
O=C([O-])C[C@H]1CN(C(=O)c2ccco2)C[C@H]1c1c[nH]nn1	ZINC000299786785	304084346	/nfs/dbraw/zinc/08/43/46/304084346.db2.gz	NINALTSNUWBOTP-DTWKUNHWSA-N	-1	1	290.279	0.728	50	0		CCAAMM
O=C([O-])C[C@H]1CN(C(=O)c2ccco2)C[C@H]1c1cnn[nH]1	ZINC000299786785	304084349	/nfs/dbraw/zinc/08/43/49/304084349.db2.gz	NINALTSNUWBOTP-DTWKUNHWSA-N	-1	1	290.279	0.728	50	0		CCAAMM
C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)[O-])CC2)C1	ZINC000237583276	189883234	/nfs/dbraw/zinc/88/32/34/189883234.db2.gz	OGSOVLMYLBBFSE-CHWSQXEVSA-N	-1	1	297.399	0.384	50	0		CCAAMM
O=C1[N-]C(=O)C2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1	ZINC000018095900	296356779	/nfs/dbraw/zinc/35/67/79/296356779.db2.gz	JBXDINDWSZYNQE-NSHDSACASA-N	-1	1	285.303	0.564	50	0		CCAAMM
CCc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n[nH]1	ZINC000262834237	389295990	/nfs/dbraw/zinc/29/59/90/389295990.db2.gz	SJVNKJLYHBKDSK-VIFPVBQESA-N	-1	1	267.285	0.288	50	0		CCAAMM
CCN(CCn1cccn1)C(=O)NCCCc1nn[n-]n1	ZINC000426599525	389674165	/nfs/dbraw/zinc/67/41/65/389674165.db2.gz	HYGOOUPPOSWIFD-UHFFFAOYSA-N	-1	1	292.347	0.061	50	0		CCAAMM
Cc1nn[nH]c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000426739094	389678816	/nfs/dbraw/zinc/67/88/16/389678816.db2.gz	RPHFXDVVKOQTKD-NSHDSACASA-N	-1	1	286.291	0.765	50	0		CCAAMM
C[C@H]1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H](C)C1	ZINC000544757316	390310571	/nfs/dbraw/zinc/31/05/71/390310571.db2.gz	SGADDNPLBIMMLY-RKDXNWHRSA-N	-1	1	289.339	0.972	50	0		CCAAMM
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1nnn[n-]1)C2	ZINC000080353976	292006679	/nfs/dbraw/zinc/00/66/79/292006679.db2.gz	FMPLYGGDAYCRNQ-JTQLQIEISA-N	-1	1	259.269	0.759	50	0		CCAAMM
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1nn[n-]n1)C2	ZINC000080353976	292006682	/nfs/dbraw/zinc/00/66/82/292006682.db2.gz	FMPLYGGDAYCRNQ-JTQLQIEISA-N	-1	1	259.269	0.759	50	0		CCAAMM
CCNC(=O)CNC(=O)c1cc(Cl)ccc1[O-]	ZINC000035141142	172008752	/nfs/dbraw/zinc/00/87/52/172008752.db2.gz	YGOYCLNZLRKBJB-UHFFFAOYSA-N	-1	1	256.689	0.912	50	0		CCAAMM
COc1cc(C(=O)N2CCN(CC(=O)[O-])CC2)ccc1C	ZINC000035680275	172351655	/nfs/dbraw/zinc/35/16/55/172351655.db2.gz	QXFRLJNZNSEBSP-UHFFFAOYSA-N	-1	1	292.335	0.846	50	0		CCAAMM
COC(=O)c1nc(NC(=O)CCc2c(C)noc2C)n[n-]1	ZINC000044910136	175275576	/nfs/dbraw/zinc/27/55/76/175275576.db2.gz	POWVCNUQYUBXJQ-UHFFFAOYSA-N	-1	1	293.283	0.767	50	0		CCAAMM
COC(=O)c1n[n-]c(NC(=O)CCc2c(C)noc2C)n1	ZINC000044910136	175275578	/nfs/dbraw/zinc/27/55/78/175275578.db2.gz	POWVCNUQYUBXJQ-UHFFFAOYSA-N	-1	1	293.283	0.767	50	0		CCAAMM
C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nc[nH]n1	ZINC000091624376	544528490	/nfs/dbraw/zinc/52/84/90/544528490.db2.gz	ATGQIJXOXLZWQQ-ZETCQYMHSA-N	-1	1	284.279	0.532	50	0		CCAAMM
CN(C(=O)Cc1cc(=O)[nH][n-]c1=O)[C@@H]1CCOC(C)(C)C1	ZINC000223404664	544825172	/nfs/dbraw/zinc/82/51/72/544825172.db2.gz	ZSAQFKSKQFKPOM-SNVBAGLBSA-N	-1	1	295.339	0.022	50	0		CCAAMM
CO[C@H]1COC[C@@H]1NC(=O)c1ccc(F)c([O-])c1	ZINC000534576698	328310158	/nfs/dbraw/zinc/31/01/58/328310158.db2.gz	QBEGLHMPQXUCAK-ONGXEEELSA-N	-1	1	255.245	0.675	50	0		CCAAMM
O=C(NCc1noc([C@@H]2CCCO2)n1)c1ccc([O-])cn1	ZINC000534650024	328336531	/nfs/dbraw/zinc/33/65/31/328336531.db2.gz	LWZHAQSPECHMGX-JTQLQIEISA-N	-1	1	290.279	0.952	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CNC(=O)Cc1cn(C)c2ccccc12	ZINC000101917673	349672142	/nfs/dbraw/zinc/67/21/42/349672142.db2.gz	ASYHCLKUURXTST-CYBMUJFWSA-N	-1	1	298.346	0.959	50	0		CCAAMM
CCOC(=O)C=C(C)NNc1nc(C)cc(=O)[n-]1	ZINC000016671301	348049914	/nfs/dbraw/zinc/04/99/14/348049914.db2.gz	LSIVEZVMDZSPHE-SOFGYWHQSA-N	-1	1	252.274	0.462	50	0		CCAAMM
CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000032633368	348136001	/nfs/dbraw/zinc/13/60/01/348136001.db2.gz	IWYWWHOPHHGGKJ-SSDOTTSWSA-N	-1	1	260.315	0.716	50	0		CCAAMM
CCc1c(C)[nH]c2[n-]c3c(c(=O)c12)c(=O)n(C)c(=O)n3C	ZINC000075283593	349030953	/nfs/dbraw/zinc/03/09/53/349030953.db2.gz	SUBRRGUPWDGDLR-UHFFFAOYSA-N	-1	1	288.307	0.278	50	0		CCAAMM
CN(C)CC(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000167816724	350814443	/nfs/dbraw/zinc/81/44/43/350814443.db2.gz	LDCVCYOEFBFADG-UHFFFAOYSA-N	-1	1	257.315	0.062	50	0		CCAAMM
O=C1[N-]C(=S)NC1=Cc1cnn(-c2ccccc2)n1	ZINC000009377949	284867024	/nfs/dbraw/zinc/86/70/24/284867024.db2.gz	NKYSVXQEQSZNGD-POHAHGRESA-N	-1	1	271.305	0.613	50	0		CCAAMM
CC(Nc1ncccc1C)=C1C(=O)[N-]C(=S)NC1=O	ZINC000011666636	388773772	/nfs/dbraw/zinc/77/37/72/388773772.db2.gz	IPMAOWUXFPWSSL-UHFFFAOYSA-N	-1	1	276.321	0.607	50	0		CCAAMM
O=C(NCCCCCN1CCOCC1)c1cnc[nH]c1=O	ZINC000219948715	389138358	/nfs/dbraw/zinc/13/83/58/389138358.db2.gz	KOSBAGMGSVOEPO-UHFFFAOYSA-N	-1	1	294.355	0.002	50	0		CCAAMM
O=C([O-])[C@@H]1C[C@@H](O)CN1CCOc1ccc(F)cc1	ZINC000228616933	389154470	/nfs/dbraw/zinc/15/44/70/389154470.db2.gz	BDIGRCALXPCHNW-PWSUYJOCSA-N	-1	1	269.272	0.724	50	0		CCAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2=O	ZINC000426594794	389673240	/nfs/dbraw/zinc/67/32/40/389673240.db2.gz	HGSPUHPHXZKVKO-ZJUUUORDSA-N	-1	1	292.339	0.045	50	0		CCAAMM
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1	ZINC000647741406	390155717	/nfs/dbraw/zinc/15/57/17/390155717.db2.gz	FVVVGZWXKKVIML-GMTAPVOTSA-N	-1	1	286.291	0.731	50	0		CCAAMM
Nc1n[n-]c(S(=O)(=O)CCCc2ccccc2)n1	ZINC000008015722	170313654	/nfs/dbraw/zinc/31/36/54/170313654.db2.gz	BNLLNNMRSKIGDN-UHFFFAOYSA-N	-1	1	266.326	0.793	50	0		CCAAMM
Nc1nc(S(=O)(=O)CCCc2ccccc2)n[n-]1	ZINC000008015722	170313655	/nfs/dbraw/zinc/31/36/55/170313655.db2.gz	BNLLNNMRSKIGDN-UHFFFAOYSA-N	-1	1	266.326	0.793	50	0		CCAAMM
CCC(=O)c1c([O-])n(-c2ccccc2)c(=O)[nH]c1=O	ZINC000009190193	170365923	/nfs/dbraw/zinc/36/59/23/170365923.db2.gz	XREDTEBPFYJSQF-UHFFFAOYSA-N	-1	1	260.249	0.824	50	0		CCAAMM
COCCNC(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000035597426	172287406	/nfs/dbraw/zinc/28/74/06/172287406.db2.gz	BORCJRZHIJMZFY-UHFFFAOYSA-N	-1	1	288.325	0.097	50	0		CCAAMM
Cc1ccc2[nH]nc(C(=O)N3CCN[C@@H](C(=O)[O-])C3)c2c1	ZINC000071756801	176260608	/nfs/dbraw/zinc/26/06/08/176260608.db2.gz	RVJCZZVQFGQHIJ-LLVKDONJSA-N	-1	1	288.307	0.370	50	0		CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccccn1	ZINC000072240906	176348698	/nfs/dbraw/zinc/34/86/98/176348698.db2.gz	TZHNIJDGRJXVIV-UHFFFAOYSA-N	-1	1	268.298	0.439	50	0		CCAAMM
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ncn[n-]1	ZINC000023142656	326870905	/nfs/dbraw/zinc/87/09/05/326870905.db2.gz	IQLVXIHVNXYPAW-VIFPVBQESA-N	-1	1	277.284	0.213	50	0		CCAAMM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC000952993310	614981533	/nfs/dbraw/zinc/98/15/33/614981533.db2.gz	MPFSNZLHCAFPDM-SSDOTTSWSA-N	-1	1	275.330	0.663	50	0		CCAAMM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC000952993310	614981536	/nfs/dbraw/zinc/98/15/36/614981536.db2.gz	MPFSNZLHCAFPDM-SSDOTTSWSA-N	-1	1	275.330	0.663	50	0		CCAAMM
CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1nn[n-]n1	ZINC000023231529	622868766	/nfs/dbraw/zinc/86/87/66/622868766.db2.gz	NVZFPTAKQNEFOL-UHFFFAOYSA-N	-1	1	292.303	0.904	50	0		CCAAMM
CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)[nH]n1	ZINC000585086428	839586956	/nfs/dbraw/zinc/58/69/56/839586956.db2.gz	ZZIROYNVPAMIQA-RXMQYKEDSA-N	-1	1	253.711	0.840	50	0		CCAAMM
CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1nn[n-]n1	ZINC000952868947	841571561	/nfs/dbraw/zinc/57/15/61/841571561.db2.gz	JCMBAXLCVUWELZ-GFCCVEGCSA-N	-1	1	286.339	0.263	50	0		CCAAMM
O=C1NCCCc2[n-]c(-c3noc([C@H]4CCCO4)n3)nc21	ZINC000095529540	185004951	/nfs/dbraw/zinc/00/49/51/185004951.db2.gz	NZMGQVJUBAKYAZ-MRVPVSSYSA-N	-1	1	289.295	0.987	50	0		CCAAMM
O=C1NCCCc2nc(-c3noc([C@H]4CCCO4)n3)[n-]c21	ZINC000095529540	185004952	/nfs/dbraw/zinc/00/49/52/185004952.db2.gz	NZMGQVJUBAKYAZ-MRVPVSSYSA-N	-1	1	289.295	0.987	50	0		CCAAMM
COc1ccc(CCn2c(=O)cc([O-])[nH]c2=O)cc1	ZINC000100250559	230391691	/nfs/dbraw/zinc/39/16/91/230391691.db2.gz	NMJDBIBOYMAZRC-UHFFFAOYSA-N	-1	1	262.265	0.706	50	0		CCAAMM
Cn1nccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1	ZINC000095335350	349600406	/nfs/dbraw/zinc/60/04/06/349600406.db2.gz	MKYPGPASGYYHQD-LLVKDONJSA-N	-1	1	283.295	0.453	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2ccccc2F)c(=O)[nH]c1=O	ZINC000100316118	136524159	/nfs/dbraw/zinc/52/41/59/136524159.db2.gz	XWINXVOPWZDRAY-SECBINFHSA-N	-1	1	264.212	0.614	50	0		CCAAMM
NC(=O)c1nn(-c2cccc(Cl)c2)c([O-])cc1=O	ZINC000015923883	348042848	/nfs/dbraw/zinc/04/28/48/348042848.db2.gz	MFGJQVGVVATWLJ-UHFFFAOYSA-N	-1	1	265.656	0.690	50	0		CCAAMM
O=C(NN1CC(=O)[N-]C1=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	ZINC000029023663	348109917	/nfs/dbraw/zinc/10/99/17/348109917.db2.gz	ZIFJULCBRXVPRW-NXEZZACHSA-N	-1	1	277.255	0.512	50	0		CCAAMM
O=c1[nH]cc(S(=O)(=O)[N-]C2CCCCC2)c(=O)[nH]1	ZINC000033327114	348145561	/nfs/dbraw/zinc/14/55/61/348145561.db2.gz	NNBURCJPIPZLGE-UHFFFAOYSA-N	-1	1	273.314	0.087	50	0		CCAAMM
O=C([O-])CC1S/C(=N/N=Cc2cccnc2)NC1=O	ZINC000254502035	352538246	/nfs/dbraw/zinc/53/82/46/352538246.db2.gz	XGXYFECPACVPQO-MRVPVSSYSA-N	-1	1	278.293	0.478	50	0		CCAAMM
CCn1ncnc1[C@@H]1CC(=O)Nc2[n-]nc(C(=O)OC)c21	ZINC000065372826	348711712	/nfs/dbraw/zinc/71/17/12/348711712.db2.gz	DQBULKREFLBZIP-ZCFIWIBFSA-N	-1	1	290.283	0.282	50	0		CCAAMM
CO[C@H](C)C(=O)NCCc1n[n-]c(=S)n1C1CC1	ZINC000067079707	348766484	/nfs/dbraw/zinc/76/64/84/348766484.db2.gz	UHRGUXIZZLNTAO-SSDOTTSWSA-N	-1	1	270.358	0.969	50	0		CCAAMM
O=c1c2ccc(C(F)(F)F)cc2ncn1Cc1nn[n-]n1	ZINC000584901530	359241422	/nfs/dbraw/zinc/24/14/22/359241422.db2.gz	BBJKKGYFRHNNQK-UHFFFAOYSA-N	-1	1	296.212	0.977	50	0		CCAAMM
C[C@@H](CN1CCOCC1)C(=O)NCc1ccc(C(=O)[O-])o1	ZINC000221263675	397434764	/nfs/dbraw/zinc/43/47/64/397434764.db2.gz	FWFFRAWRWAGTIR-JTQLQIEISA-N	-1	1	296.323	0.562	50	0		CCAAMM
CCOc1ccc(Cc2c([O-])[nH]c(=O)n(C)c2=O)cc1	ZINC000101871340	397404418	/nfs/dbraw/zinc/40/44/18/397404418.db2.gz	GCYZQGWRFISFKW-UHFFFAOYSA-N	-1	1	276.292	0.769	50	0		CCAAMM
NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000005155057	170071463	/nfs/dbraw/zinc/07/14/63/170071463.db2.gz	YXGBQFOCXQTGEU-UHFFFAOYSA-N	-1	1	253.205	0.778	50	0		CCAAMM
CCc1c(C)nc(SCC(=O)NCCOC)[n-]c1=O	ZINC000005155378	170071652	/nfs/dbraw/zinc/07/16/52/170071652.db2.gz	IOCNJIHVCWRAQG-UHFFFAOYSA-N	-1	1	285.369	0.495	50	0		CCAAMM
CN(C)C(=O)CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000010003315	170394923	/nfs/dbraw/zinc/39/49/23/170394923.db2.gz	XXQUBAFLVGJIKQ-UHFFFAOYSA-N	-1	1	253.287	0.239	50	0		CCAAMM
CN(C(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1)C1CC1	ZINC000049249190	411670894	/nfs/dbraw/zinc/67/08/94/411670894.db2.gz	VJDWRECBLVDMIZ-UHFFFAOYSA-N	-1	1	284.337	0.955	50	0		CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-][C@]1(C)CCCOC1	ZINC000329694161	411760371	/nfs/dbraw/zinc/76/03/71/411760371.db2.gz	WXUHSSQRGQBMSN-SNVBAGLBSA-N	-1	1	275.330	0.413	50	0		CCAAMM
O=C(CN1CCSC1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000040493745	174293345	/nfs/dbraw/zinc/29/33/45/174293345.db2.gz	JJPSILZLGUKZGO-UHFFFAOYSA-N	-1	1	295.246	0.931	50	0		CCAAMM
Cn1c([O-])c([C@H]2NCCc3ccccc32)c(=O)n(C)c1=O	ZINC000020113209	302897299	/nfs/dbraw/zinc/89/72/99/302897299.db2.gz	YHTABYITLXLOPB-LBPRGKRZSA-N	-1	1	287.319	0.025	50	0	biogenic	CCAAMM
COCC(C)(C)NC(=O)c1cnc2cc(=O)[n-]n2c1C	ZINC000534587807	328316189	/nfs/dbraw/zinc/31/61/89/328316189.db2.gz	UNBWGDSBLUWIMK-UHFFFAOYSA-N	-1	1	278.312	0.898	50	0		CCAAMM
COC[C@H](NC(=O)Cc1c(C)[n-][nH]c1=O)c1ccccn1	ZINC000534641638	328328831	/nfs/dbraw/zinc/32/88/31/328328831.db2.gz	PORNHSZBKCIMOU-LBPRGKRZSA-N	-1	1	290.323	0.865	50	0		CCAAMM
CCO[C@@H]1C[C@@H]1C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000195567990	336056521	/nfs/dbraw/zinc/05/65/21/336056521.db2.gz	VWFPXWCUYGXUSN-HRDYMLBCSA-N	-1	1	253.306	0.187	50	0		CCAAMM
O=C(NCc1noc(C2CC2)n1)c1cncc([O-])c1	ZINC000339941334	526840660	/nfs/dbraw/zinc/84/06/60/526840660.db2.gz	HDCWJDYELSVHDX-UHFFFAOYSA-N	-1	1	260.253	0.978	50	0		CCAAMM
COc1ccc2nc(CNC(=O)N[C@@H](C)C(=O)[O-])[nH]c2c1	ZINC000952986793	617287825	/nfs/dbraw/zinc/28/78/25/617287825.db2.gz	GJWUFSSWAHKPNO-ZETCQYMHSA-N	-1	1	292.295	0.844	50	0		CCAAMM
CC(C)C(=O)Nc1cccc(C(=O)NCc2nn[n-]n2)c1	ZINC000095148308	624627378	/nfs/dbraw/zinc/62/73/78/624627378.db2.gz	YFOANGKMRNYMAB-UHFFFAOYSA-N	-1	1	288.311	0.724	50	0		CCAAMM
O=C([O-])c1ccc(C(=O)NCCc2c[nH]nn2)s1	ZINC000426531820	812842462	/nfs/dbraw/zinc/84/24/62/812842462.db2.gz	QWOIZSBQBDNHDX-UHFFFAOYSA-N	-1	1	266.282	0.537	50	0		CCAAMM
O=C([O-])c1ccc(C(=O)NCCc2cnn[nH]2)s1	ZINC000426531820	812842471	/nfs/dbraw/zinc/84/24/71/812842471.db2.gz	QWOIZSBQBDNHDX-UHFFFAOYSA-N	-1	1	266.282	0.537	50	0		CCAAMM
Nc1nnc(CCCNC(=O)c2ncccc2[O-])s1	ZINC000219847888	230397004	/nfs/dbraw/zinc/39/70/04/230397004.db2.gz	PTHJBNQFRQTRHR-UHFFFAOYSA-N	-1	1	279.325	0.584	50	0		CCAAMM
COc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1	ZINC000100316144	349657152	/nfs/dbraw/zinc/65/71/52/349657152.db2.gz	WWINABMEKVBWOZ-SNVBAGLBSA-N	-1	1	276.248	0.483	50	0		CCAAMM
C[C@@H]1C[C@@H](C)C([O-])=C(C(=O)CC2CC(=O)NC(=O)C2)C1=O	ZINC000100538063	349658460	/nfs/dbraw/zinc/65/84/60/349658460.db2.gz	HVVJIIFHRADPPT-HTQZYQBOSA-N	-1	1	293.319	0.429	50	0		CCAAMM
CCN(CC)C(=O)CSc1nc([O-])cc(=O)n1CC	ZINC000102798789	349684361	/nfs/dbraw/zinc/68/43/61/349684361.db2.gz	CZMZJBUILOCHSY-UHFFFAOYSA-N	-1	1	285.369	0.929	50	0		CCAAMM
CCN(CC)C(=O)CSc1nc(=O)cc([O-])n1CC	ZINC000102798789	349684362	/nfs/dbraw/zinc/68/43/62/349684362.db2.gz	CZMZJBUILOCHSY-UHFFFAOYSA-N	-1	1	285.369	0.929	50	0		CCAAMM
[NH3+][C@@H](Cc1ccc(C[P@](=O)([O-])O)cc1)C(=O)[O-]	ZINC000001550959	347956368	/nfs/dbraw/zinc/95/63/68/347956368.db2.gz	SAQLLHDEEMZENJ-VIFPVBQESA-N	-1	1	259.198	0.319	50	0	biogenic,in-vitro	CCAAMM
CCOC(=O)CSCC[C@H]1N[C@@H](C(=O)[O-])CS1	ZINC000001846340	347962840	/nfs/dbraw/zinc/96/28/40/347962840.db2.gz	IKOCLISPVJZJEA-SFYZADRCSA-N	-1	1	279.383	0.789	50	0	in-man	CCAAMM
CCC1(CCc2ccncc2)C(=O)[N-]C(=O)NC1=O	ZINC000002995321	347975789	/nfs/dbraw/zinc/97/57/89/347975789.db2.gz	MJLMKZSRIPQLJT-UHFFFAOYSA-N	-1	1	261.281	0.777	50	0		CCAAMM
Cc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1F	ZINC000004495761	347996016	/nfs/dbraw/zinc/99/60/16/347996016.db2.gz	SRPGEMARWALCCQ-UHFFFAOYSA-N	-1	1	299.283	0.312	50	0		CCAAMM
CCCCNC(=O)c1c([O-])nc2sccn2c1=O	ZINC000016689983	348050169	/nfs/dbraw/zinc/05/01/69/348050169.db2.gz	SDKUFXWDIPOCIY-UHFFFAOYSA-N	-1	1	267.310	0.992	50	0		CCAAMM
CN(Cc1ccccc1OCC(=O)[O-])C[C@H]1COCCO1	ZINC000215172375	351934896	/nfs/dbraw/zinc/93/48/96/351934896.db2.gz	XGQOSQDJWHAXDF-ZDUSSCGKSA-N	-1	1	295.335	0.997	50	0		CCAAMM
O=C(c1ccc(F)c([O-])c1)N1C[C@H](CO)C[C@H](CO)C1	ZINC000215988696	351938938	/nfs/dbraw/zinc/93/89/38/351938938.db2.gz	VLSMVUHCOALOIH-AOOOYVTPSA-N	-1	1	283.299	0.594	50	0		CCAAMM
C[C@@H](NC(=O)c1cnc2ccccc2n1)c1nc(=O)[n-][nH]1	ZINC000216054260	351939152	/nfs/dbraw/zinc/93/91/52/351939152.db2.gz	HYPOQZULFRRJAG-SSDOTTSWSA-N	-1	1	284.279	0.532	50	0		CCAAMM
O=C([O-])CCC[NH2+]CC[P@](=O)([O-])CN1CCOCC1	ZINC000002904329	304051408	/nfs/dbraw/zinc/05/14/08/304051408.db2.gz	LZJCVGCXPMVSQF-UHFFFAOYSA-N	-1	1	294.288	0.001	50	0		CCAAMM
CN(C)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000012141672	388778739	/nfs/dbraw/zinc/77/87/39/388778739.db2.gz	ZVUGHHXICHDJHH-UHFFFAOYSA-N	-1	1	272.326	0.225	50	0		CCAAMM
CC(=O)N[C@H](CC(=O)Nc1ncn[n-]1)c1cccs1	ZINC000048341139	388890129	/nfs/dbraw/zinc/89/01/29/388890129.db2.gz	NEJYAIBTORZTJP-MRVPVSSYSA-N	-1	1	279.325	0.494	50	0		CCAAMM
O=C([O-])C[C@H]1COCCN1C(=O)c1[nH]nc2ccccc21	ZINC000072423990	388963540	/nfs/dbraw/zinc/96/35/40/388963540.db2.gz	ZCKGIMXPDKQLOO-VIFPVBQESA-N	-1	1	289.291	0.879	50	0		CCAAMM
C[C@@H](C[N@H+]1CCc2[nH]nc(C(=O)[O-])c2C1)N1CCOCC1	ZINC000244719132	389204263	/nfs/dbraw/zinc/20/42/63/389204263.db2.gz	LXRZCEWGNHPRKP-JTQLQIEISA-N	-1	1	294.355	0.187	50	0		CCAAMM
O=C([O-])C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1	ZINC000238058049	131075299	/nfs/dbraw/zinc/07/52/99/131075299.db2.gz	AGJQAZHPTRGKTD-VIFPVBQESA-N	-1	1	279.296	0.603	50	0		CCAAMM
COCCC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)[O-])C1	ZINC000091818874	292384370	/nfs/dbraw/zinc/38/43/70/292384370.db2.gz	ZJACFFVVOJYGFK-GFCCVEGCSA-N	-1	1	259.302	0.664	50	0		CCAAMM
COC(=O)c1nc(NC(=O)c2ccc(F)cc2)n[n-]1	ZINC000006372148	170195971	/nfs/dbraw/zinc/19/59/71/170195971.db2.gz	CYAQTWKBNHAHHY-UHFFFAOYSA-N	-1	1	264.216	0.983	50	0		CCAAMM
COC(=O)c1n[n-]c(NC(=O)c2ccc(F)cc2)n1	ZINC000006372148	170195972	/nfs/dbraw/zinc/19/59/72/170195972.db2.gz	CYAQTWKBNHAHHY-UHFFFAOYSA-N	-1	1	264.216	0.983	50	0		CCAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NC[C@@H](C)O	ZINC000008764575	170354802	/nfs/dbraw/zinc/35/48/02/170354802.db2.gz	DXNNTUQHYQEUHX-MRVPVSSYSA-N	-1	1	291.303	0.847	50	0	biogenic	CCAAMM
CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1	ZINC000024663775	171438840	/nfs/dbraw/zinc/43/88/40/171438840.db2.gz	XRDMGODUFJYWKC-SECBINFHSA-N	-1	1	292.291	0.836	50	0		CCAAMM
C[C@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)[O-])CC1	ZINC000035687297	172355403	/nfs/dbraw/zinc/35/54/03/172355403.db2.gz	GMAAXOBBQMWPMZ-GFCCVEGCSA-N	-1	1	297.399	0.526	50	0		CCAAMM
O=C([O-])[C@]1(NC(=O)c2ccc3[nH]nnc3c2)CCSC1	ZINC000043509563	175059990	/nfs/dbraw/zinc/05/99/90/175059990.db2.gz	MGJDYJPXNMVUAO-LBPRGKRZSA-N	-1	1	292.320	0.648	50	0		CCAAMM
CC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[n-]1	ZINC000007420692	277063209	/nfs/dbraw/zinc/06/32/09/277063209.db2.gz	XLTPFSKFLRAOMN-UHFFFAOYSA-N	-1	1	261.285	0.839	50	0		CCAAMM
O=C1[N-]C(=S)NC1=C1C(=O)Nc2ccc(F)cc21	ZINC000016671756	280282026	/nfs/dbraw/zinc/28/20/26/280282026.db2.gz	JIUAHHYMXUZMEU-BQYQJAHWSA-N	-1	1	263.253	0.905	50	0		CCAAMM
Cc1cc(=O)[n-]c(NC(=O)c2ccc(-n3cncn3)nn2)n1	ZINC000096097896	280636932	/nfs/dbraw/zinc/63/69/32/280636932.db2.gz	TTXNGSVEEVSVGI-UHFFFAOYSA-N	-1	1	298.266	0.114	50	0		CCAAMM
CN1C[C@]2(CCCN(C(=O)c3ncccc3[O-])C2)OC1=O	ZINC000072121926	290311902	/nfs/dbraw/zinc/31/19/02/290311902.db2.gz	PBMZXLXUTBTBAP-AWEZNQCLSA-N	-1	1	291.307	0.844	50	0		CCAAMM
O=C1[N-][C@](O)(C(F)(F)F)C[C@@](O)(C(F)(F)F)N1	ZINC000095917877	304687398	/nfs/dbraw/zinc/68/73/98/304687398.db2.gz	ADRWILLWLBACGF-QWWZWVQMSA-N	-1	1	268.113	0.191	50	0		CCAAMM
COCCc1noc(C[N-]S(=O)(=O)c2cccnc2)n1	ZINC000534674473	328348980	/nfs/dbraw/zinc/34/89/80/328348980.db2.gz	MDVWJZGGPJMBHB-UHFFFAOYSA-N	-1	1	298.324	0.132	50	0		CCAAMM
Cc1ncsc1[C@H]1CC(=O)Nc2nc(N)[n-]c(=O)c21	ZINC000585655783	570392695	/nfs/dbraw/zinc/39/26/95/570392695.db2.gz	LIQKBXLUQWLBND-YFKPBYRVSA-N	-1	1	277.309	0.834	50	0		CCAAMM
CC(C)c1cc(C(=O)NC[C@H](C)c2nn[n-]n2)no1	ZINC000097102544	349627877	/nfs/dbraw/zinc/62/78/77/349627877.db2.gz	LSYANFZUTMVVTJ-ZETCQYMHSA-N	-1	1	264.289	0.845	50	0		CCAAMM
COc1ccc(-n2nc(C(N)=O)c(=O)cc2[O-])cc1	ZINC000013140548	348025721	/nfs/dbraw/zinc/02/57/21/348025721.db2.gz	ARIUKBLPJBWGIQ-UHFFFAOYSA-N	-1	1	261.237	0.046	50	0		CCAAMM
O=[P@@]([O-])(CN1CCOCC1)[C@H]1CCCC[C@@H]1O	ZINC000019730790	348068364	/nfs/dbraw/zinc/06/83/64/348068364.db2.gz	GQOFMOILUKYYEW-QWRGUYRKSA-N	-1	1	263.274	0.850	50	0		CCAAMM
COC[C@@H](C)NC(=O)c1c([O-])nc2sccn2c1=O	ZINC000016689990	348050078	/nfs/dbraw/zinc/05/00/78/348050078.db2.gz	SKZCNNMZVRYVOW-ZCFIWIBFSA-N	-1	1	283.309	0.226	50	0		CCAAMM
CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000032633369	348136270	/nfs/dbraw/zinc/13/62/70/348136270.db2.gz	IWYWWHOPHHGGKJ-ZETCQYMHSA-N	-1	1	260.315	0.716	50	0		CCAAMM
Cc1cc(Cl)cc2c(=O)n(Cc3nn[n-]n3)cnc12	ZINC000042628386	348287468	/nfs/dbraw/zinc/28/74/68/348287468.db2.gz	OHIAQXXGCDCGFX-UHFFFAOYSA-N	-1	1	276.687	0.920	50	0		CCAAMM
Cc1ccc(C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)o1	ZINC000254756634	352538969	/nfs/dbraw/zinc/53/89/69/352538969.db2.gz	XWXKTGKKVUQLTI-MRVPVSSYSA-N	-1	1	281.293	0.984	50	0		CCAAMM
CC1CCC(N2C[C@@H](C(=O)Nc3nnn[n-]3)CC2=O)CC1	ZINC000066927693	348761135	/nfs/dbraw/zinc/76/11/35/348761135.db2.gz	SOHKMIKNUZRVHF-KYHHOPLUSA-N	-1	1	292.343	0.565	50	0		CCAAMM
CC1CCC(N2C[C@@H](C(=O)Nc3nn[n-]n3)CC2=O)CC1	ZINC000066927693	348761136	/nfs/dbraw/zinc/76/11/36/348761136.db2.gz	SOHKMIKNUZRVHF-KYHHOPLUSA-N	-1	1	292.343	0.565	50	0		CCAAMM
O=C(c1ncccc1[O-])N1CCCN(c2cccnn2)CC1	ZINC000075131344	349024281	/nfs/dbraw/zinc/02/42/81/349024281.db2.gz	YXMDTKWJBDAKBY-UHFFFAOYSA-N	-1	1	299.334	0.930	50	0		CCAAMM
O=C(NCc1cnc2cnccn12)c1ncccc1[O-]	ZINC000216392762	351941485	/nfs/dbraw/zinc/94/14/85/351941485.db2.gz	MUISQLLOFAIMHL-UHFFFAOYSA-N	-1	1	269.264	0.760	50	0		CCAAMM
C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)[O-])CC2)C1	ZINC000237539238	352270948	/nfs/dbraw/zinc/27/09/48/352270948.db2.gz	OGSOVLMYLBBFSE-STQMWFEESA-N	-1	1	297.399	0.384	50	0		CCAAMM
Cc1cc(=O)[n-]c(NS(=O)(=O)c2ccc(N)cc2)n1	ZINC000018129169	388791871	/nfs/dbraw/zinc/79/18/71/388791871.db2.gz	DYFIKPYMDZVONX-UHFFFAOYSA-N	-1	1	280.309	0.874	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)[C@H]2CC23CCC3)CC1	ZINC000426517763	389670885	/nfs/dbraw/zinc/67/08/85/389670885.db2.gz	CWIAYZYKMXBPPY-LLVKDONJSA-N	-1	1	266.341	0.796	50	0		CCAAMM
O=C([O-])CN1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000035680317	172351351	/nfs/dbraw/zinc/35/13/51/172351351.db2.gz	SASBMKDAHNBVDQ-UHFFFAOYSA-N	-1	1	280.299	0.597	50	0		CCAAMM
CC(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1cccnc1	ZINC000254838326	630928455	/nfs/dbraw/zinc/92/84/55/630928455.db2.gz	BYAQYGIMMYGBPV-VIFPVBQESA-N	-1	1	292.320	0.868	50	0		CCAAMM
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ncccc1[O-])C2	ZINC000072129239	631092006	/nfs/dbraw/zinc/09/20/06/631092006.db2.gz	JDAXFSDEPMXDFO-UHFFFAOYSA-N	-1	1	286.291	0.377	50	0		CCAAMM
C[N-]S(=O)(=O)c1cc(-c2nc(N(C)C)no2)co1	ZINC000095439322	349611287	/nfs/dbraw/zinc/61/12/87/349611287.db2.gz	UZHXZORYOYPBKM-UHFFFAOYSA-N	-1	1	272.286	0.304	50	0		CCAAMM
COc1ccc(CCNC(=O)Cc2nn[n-]n2)cc1	ZINC000016749951	348051186	/nfs/dbraw/zinc/05/11/86/348051186.db2.gz	RSMLXHMIIMLWDQ-UHFFFAOYSA-N	-1	1	261.285	0.110	50	0		CCAAMM
O=c1cc(CSc2nnc(C3CC3)o2)nc(CO)[n-]1	ZINC000057279652	348605689	/nfs/dbraw/zinc/60/56/89/348605689.db2.gz	FZQIBIVCCGWXMU-UHFFFAOYSA-N	-1	1	280.309	0.815	50	0		CCAAMM
O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1nnn[n-]1	ZINC000079493406	349179593	/nfs/dbraw/zinc/17/95/93/349179593.db2.gz	OOVOZOGGBPLGSW-QMMMGPOBSA-N	-1	1	258.241	0.013	50	0		CCAAMM
O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1nn[n-]n1	ZINC000079493406	349179597	/nfs/dbraw/zinc/17/95/97/349179597.db2.gz	OOVOZOGGBPLGSW-QMMMGPOBSA-N	-1	1	258.241	0.013	50	0		CCAAMM
CCC[C@H](NC(=O)c1cc(C)on1)c1nn[n-]n1	ZINC000089949658	349415993	/nfs/dbraw/zinc/41/59/93/349415993.db2.gz	NNPGLLRGWYOBME-ZETCQYMHSA-N	-1	1	250.262	0.767	50	0		CCAAMM
C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000170629325	350850234	/nfs/dbraw/zinc/85/02/34/350850234.db2.gz	UBWPVGVKAWBTLC-KXUCPTDWSA-N	-1	1	283.328	0.553	50	0		CCAAMM
O=S(=O)(CCO)c1n[n-]c(CCC2CCCC2)n1	ZINC000176949552	351190368	/nfs/dbraw/zinc/19/03/68/351190368.db2.gz	FLLBUXDSROMXLR-UHFFFAOYSA-N	-1	1	273.358	0.694	50	0		CCAAMM
O=C(CC1(n2cccc2)CCOCC1)Nc1nnn[n-]1	ZINC000218281183	351956459	/nfs/dbraw/zinc/95/64/59/351956459.db2.gz	MXIMPAANYJKWQX-UHFFFAOYSA-N	-1	1	276.300	0.536	50	0		CCAAMM
O=C(CC1(n2cccc2)CCOCC1)Nc1nn[n-]n1	ZINC000218281183	351956463	/nfs/dbraw/zinc/95/64/63/351956463.db2.gz	MXIMPAANYJKWQX-UHFFFAOYSA-N	-1	1	276.300	0.536	50	0		CCAAMM
O=C([O-])c1n[nH]c2c1C[N@@H+](C[C@H]1CCCOC1)CC2	ZINC000244796147	352312750	/nfs/dbraw/zinc/31/27/50/352312750.db2.gz	RTZMXEILFPTULU-SECBINFHSA-N	-1	1	265.313	0.893	50	0		CCAAMM
CCN(CC)C(=O)CSc1nc(O)cc(=O)[n-]1	ZINC000012411523	388783067	/nfs/dbraw/zinc/78/30/67/388783067.db2.gz	KBVBBFLIJRFXSQ-UHFFFAOYSA-N	-1	1	257.315	0.848	50	0		CCAAMM
COC(=O)c1ccc2c(c1)nc(-c1nc[nH]n1)[n-]c2=O	ZINC000012788378	388786887	/nfs/dbraw/zinc/78/68/87/388786887.db2.gz	HWCTYEKHBKNKBG-UHFFFAOYSA-N	-1	1	271.236	0.495	50	0		CCAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1Cc1cccc2nonc21	ZINC000097447025	389068003	/nfs/dbraw/zinc/06/80/03/389068003.db2.gz	UJZVBISYDWRVJL-LBPRGKRZSA-N	-1	1	299.290	0.957	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)[C@@H]1COc2ccccc2C1	ZINC000426519173	389671028	/nfs/dbraw/zinc/67/10/28/389671028.db2.gz	CYOXYZTUOAEEHM-NSHDSACASA-N	-1	1	287.323	0.500	50	0		CCAAMM
CCc1nc2ccccc2n1CCC(=O)NCc1nn[n-]n1	ZINC000426690764	389676929	/nfs/dbraw/zinc/67/69/29/389676929.db2.gz	VXHUWQXTIJFTPO-UHFFFAOYSA-N	-1	1	299.338	0.818	50	0		CCAAMM
Cc1ccc([O-])c(C(=O)c2cnn3c(N)nnc3c2)c1	ZINC000006590001	170216604	/nfs/dbraw/zinc/21/66/04/170216604.db2.gz	HJWXAYAGYOTQRR-UHFFFAOYSA-N	-1	1	269.264	0.952	50	0		CCAAMM
CN(C(=O)Cc1cc(=O)[nH][n-]c1=O)[C@H]1CCOC(C)(C)C1	ZINC000223404730	544824257	/nfs/dbraw/zinc/82/42/57/544824257.db2.gz	ZSAQFKSKQFKPOM-JTQLQIEISA-N	-1	1	295.339	0.022	50	0		CCAAMM
Cc1ccc2c(c1)CC1(CN2C)C(=O)[N-]C(=O)NC1=O	ZINC000017209504	278871098	/nfs/dbraw/zinc/87/10/98/278871098.db2.gz	DYQCKAHLRGVTGH-UHFFFAOYSA-N	-1	1	273.292	0.340	50	0		CCAAMM
COCC1(CNC(=O)Cc2c(C)[n-][nH]c2=O)CC1	ZINC000534642184	328328794	/nfs/dbraw/zinc/32/87/94/328328794.db2.gz	BEUFHXJCNZPSJM-UHFFFAOYSA-N	-1	1	253.302	0.509	50	0		CCAAMM
C[C@@H](c1nn[n-]n1)N(C)C(=O)COc1ccccc1	ZINC000095136478	349590521	/nfs/dbraw/zinc/59/05/21/349590521.db2.gz	VIBZOQXMRZQZOD-VIFPVBQESA-N	-1	1	261.285	0.798	50	0		CCAAMM
O=C(COc1ccccc1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000095168845	349593569	/nfs/dbraw/zinc/59/35/69/349593569.db2.gz	XCWIDKFHHBUNQV-NSHDSACASA-N	-1	1	287.323	0.985	50	0		CCAAMM
CCOC(=O)c1nc(CNC(=O)c2cc(C)sn2)n[n-]1	ZINC000600841926	362078451	/nfs/dbraw/zinc/07/84/51/362078451.db2.gz	KWBHWJLRIWFAKQ-UHFFFAOYSA-N	-1	1	295.324	0.676	50	0		CCAAMM
CCOC(=O)c1n[n-]c(CNC(=O)c2cc(C)sn2)n1	ZINC000600841926	362078455	/nfs/dbraw/zinc/07/84/55/362078455.db2.gz	KWBHWJLRIWFAKQ-UHFFFAOYSA-N	-1	1	295.324	0.676	50	0		CCAAMM
Cn1c([O-])cc(=O)c2cccc(OC[C@@H](O)C(C)(C)O)c21	ZINC000001280171	347954515	/nfs/dbraw/zinc/95/45/15/347954515.db2.gz	WJEIDEFTSKCCHI-GFCCVEGCSA-N	-1	1	293.319	0.755	50	0		CCAAMM
O=C([O-])COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1	ZINC000002788647	347973061	/nfs/dbraw/zinc/97/30/61/347973061.db2.gz	ZXOHIHGUNPSEOF-GXSJLCMTSA-N	-1	1	283.305	0.938	50	0		CCAAMM
O=C(c1cc(Br)ccc1[O-])N1CCNC(=O)C1	ZINC000028622661	348107518	/nfs/dbraw/zinc/10/75/18/348107518.db2.gz	IQAMBHJMGFHODA-UHFFFAOYSA-N	-1	1	299.124	0.727	50	0		CCAAMM
C[C@@H](C(=O)[O-])N1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000051638978	348491925	/nfs/dbraw/zinc/49/19/25/348491925.db2.gz	PRGUOGWZEOPNTN-NSHDSACASA-N	-1	1	294.326	0.986	50	0		CCAAMM
Cc1ccc(CC2(NC(=O)Cc3nn[n-]n3)CC2)cc1	ZINC000067540314	348777346	/nfs/dbraw/zinc/77/73/46/348777346.db2.gz	MHRPUVPESHCUFS-UHFFFAOYSA-N	-1	1	271.324	0.942	50	0		CCAAMM
C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)[O-])CC2)C1	ZINC000237353048	352261786	/nfs/dbraw/zinc/26/17/86/352261786.db2.gz	OGSOVLMYLBBFSE-OLZOCXBDSA-N	-1	1	297.399	0.384	50	0		CCAAMM
COc1cccc2ncn(CCCc3nn[n-]n3)c(=O)c21	ZINC000584898837	359239354	/nfs/dbraw/zinc/23/93/54/359239354.db2.gz	OTHJDIMZHQHAOW-UHFFFAOYSA-N	-1	1	286.295	0.551	50	0		CCAAMM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C)[nH]n2)C1	ZINC000630249465	370021129	/nfs/dbraw/zinc/02/11/29/370021129.db2.gz	MYPKSRRMSHQCAJ-NSHDSACASA-N	-1	1	253.258	0.034	50	0		CCAAMM
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ncn[n-]1	ZINC000023142653	388801264	/nfs/dbraw/zinc/80/12/64/388801264.db2.gz	IQLVXIHVNXYPAW-SECBINFHSA-N	-1	1	277.284	0.213	50	0		CCAAMM
Cn1nnnc1SCC(=O)[N-]C(=O)c1ccccc1	ZINC000004807657	170020049	/nfs/dbraw/zinc/02/00/49/170020049.db2.gz	JILVPTYHVDDPII-UHFFFAOYSA-N	-1	1	277.309	0.259	50	0		CCAAMM
CCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[n-]1	ZINC000007418570	170284031	/nfs/dbraw/zinc/28/40/31/170284031.db2.gz	ZIOJLHZDEFUCRJ-UHFFFAOYSA-N	-1	1	261.285	0.921	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)c2ccc(O)cc2O)n1	ZINC000009056646	170362645	/nfs/dbraw/zinc/36/26/45/170362645.db2.gz	JUPIHHKZNMFWGC-UHFFFAOYSA-N	-1	1	293.304	0.738	50	0		CCAAMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCCCS1	ZINC000329804898	411760656	/nfs/dbraw/zinc/76/06/56/411760656.db2.gz	AIKFTFPWMCAWGF-MRVPVSSYSA-N	-1	1	291.398	1.129	50	0		CCAAMM
NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1	ZINC000020282926	171132893	/nfs/dbraw/zinc/13/28/93/171132893.db2.gz	ISHOIIZDYCEMMT-UHFFFAOYSA-N	-1	1	265.298	0.563	50	0		CCAAMM
Cc1ccc2c([O-])c(C(=O)N3CCOCC3)cnc2n1	ZINC000035227491	172070564	/nfs/dbraw/zinc/07/05/64/172070564.db2.gz	USTZEMXENWIWJV-UHFFFAOYSA-N	-1	1	273.292	0.704	50	0		CCAAMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CCOCC1)c2=O	ZINC000035227491	172070568	/nfs/dbraw/zinc/07/05/68/172070568.db2.gz	USTZEMXENWIWJV-UHFFFAOYSA-N	-1	1	273.292	0.704	50	0		CCAAMM
O=C([O-])c1cncc(NC(=O)C[C@@H]2COCCN2)c1	ZINC000072122365	176320127	/nfs/dbraw/zinc/32/01/27/176320127.db2.gz	XIUXDBBBYAPRLY-SNVBAGLBSA-N	-1	1	265.269	0.097	50	0		CCAAMM
CC(=O)Nc1ccc(/C=C2\NC(=S)[N-]C2=O)cc1	ZINC000016740020	277064964	/nfs/dbraw/zinc/06/49/64/277064964.db2.gz	KQWCACRAESFLQU-POHAHGRESA-N	-1	1	261.306	0.990	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2nccs2)n1	ZINC000004959369	326813605	/nfs/dbraw/zinc/81/36/05/326813605.db2.gz	GZZAIPPCBLMMJX-UHFFFAOYSA-N	-1	1	283.338	0.539	50	0		CCAAMM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C(=O)[O-])[NH2+]1	ZINC000003847516	574411995	/nfs/dbraw/zinc/41/19/95/574411995.db2.gz	ZWMZDKZTZLGVRQ-ONGXEEELSA-N	-1	1	260.249	0.893	50	0	endogenous,in-man	CCAAMM
Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1	ZINC000095324402	349600076	/nfs/dbraw/zinc/60/00/76/349600076.db2.gz	WJQFNADMWUTDPJ-LLVKDONJSA-N	-1	1	272.312	0.923	50	0		CCAAMM
CO[C@H]1CCCN(Cc2[nH]c(=O)[nH]c2C(=O)[O-])C1	ZINC000097347279	349638558	/nfs/dbraw/zinc/63/85/58/349638558.db2.gz	ZVGVEHIARMFMSH-ZETCQYMHSA-N	-1	1	255.274	0.012	50	0		CCAAMM
COC(=O)[C@]([O-])(NC(=O)c1ccccc1)C(F)(F)F	ZINC000002257411	347966500	/nfs/dbraw/zinc/96/65/00/347966500.db2.gz	ZMIGOCAYOHUNFN-SNVBAGLBSA-N	-1	1	277.198	0.840	50	0		CCAAMM
O=C([O-])c1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1	ZINC000004176576	347990342	/nfs/dbraw/zinc/99/03/42/347990342.db2.gz	MOJLIMGDPWKZAO-NSHDSACASA-N	-1	1	269.322	0.662	50	0		CCAAMM
CCCNC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000033324836	348145590	/nfs/dbraw/zinc/14/55/90/348145590.db2.gz	RVZZCOGLSMBAKN-UHFFFAOYSA-N	-1	1	267.314	0.677	50	0		CCAAMM
CCN(CC(=O)NC(C)C)C(=O)c1ncccc1[O-]	ZINC000042388370	348278187	/nfs/dbraw/zinc/27/81/87/348278187.db2.gz	KCLGCTGPOMFSKZ-UHFFFAOYSA-N	-1	1	265.313	0.774	50	0		CCAAMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccncc1	ZINC000067245102	348769649	/nfs/dbraw/zinc/76/96/49/348769649.db2.gz	MLZFUXOWJYTRSE-UHFFFAOYSA-N	-1	1	296.308	0.070	50	0		CCAAMM
Cn1ccnc1C(=O)NCc1n[n-]c(=S)n1C1CC1	ZINC000075092402	349020772	/nfs/dbraw/zinc/02/07/72/349020772.db2.gz	YAUSXSKMRFBVME-UHFFFAOYSA-N	-1	1	278.341	0.939	50	0		CCAAMM
CC(C)c1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n[nH]1	ZINC000236600950	352199771	/nfs/dbraw/zinc/19/97/71/352199771.db2.gz	WOAPUZIFASUXIT-SECBINFHSA-N	-1	1	281.312	0.849	50	0		CCAAMM
C[C@H](CN1CCc2[nH]nc(C(=O)[O-])c2C1)N1CCOCC1	ZINC000244719133	352311618	/nfs/dbraw/zinc/31/16/18/352311618.db2.gz	LXRZCEWGNHPRKP-SNVBAGLBSA-N	-1	1	294.355	0.187	50	0		CCAAMM
O=C([O-])CCC(=O)N1CCC[C@H](CN2CCOCC2)C1	ZINC000426615428	304044725	/nfs/dbraw/zinc/04/47/25/304044725.db2.gz	JTPZEQCFVBZTFS-GFCCVEGCSA-N	-1	1	284.356	0.422	50	0		CCAAMM
O=C([O-])Cc1ccc(CN2CCOC[C@H](O)C2)cc1	ZINC000077436432	388989344	/nfs/dbraw/zinc/98/93/44/388989344.db2.gz	GPZQSEBILHMAFJ-CYBMUJFWSA-N	-1	1	265.309	0.507	50	0		CCAAMM
CC(C)n1nccc1C(=O)NCCCc1nn[n-]n1	ZINC000426658172	389676344	/nfs/dbraw/zinc/67/63/44/389676344.db2.gz	FSLBJIMUIDEJAV-UHFFFAOYSA-N	-1	1	263.305	0.340	50	0		CCAAMM
COc1cccc(C(=O)N2CCN([C@H](C)C(=O)[O-])CC2)c1	ZINC000020180679	171044991	/nfs/dbraw/zinc/04/49/91/171044991.db2.gz	MMXIPFKRVJSCRV-LLVKDONJSA-N	-1	1	292.335	0.926	50	0		CCAAMM
CCN(CCC(=O)[O-])CC(=O)Nc1c(C)n[nH]c1C	ZINC000038024984	174008633	/nfs/dbraw/zinc/00/86/33/174008633.db2.gz	HQCUDZKDVQXKAX-UHFFFAOYSA-N	-1	1	268.317	0.762	50	0		CCAAMM
O=C([O-])CCCC(=O)N1CCN(C2CCOCC2)CC1	ZINC000534649890	328336238	/nfs/dbraw/zinc/33/62/38/328336238.db2.gz	ZDFNNCRFLXQMRW-UHFFFAOYSA-N	-1	1	284.356	0.565	50	0		CCAAMM
CCCC[C@@H](NC(=O)Cc1n[nH]c(C)n1)C(=O)[O-]	ZINC000863981668	614476574	/nfs/dbraw/zinc/47/65/74/614476574.db2.gz	GSDVNBLWCMMEDJ-MRVPVSSYSA-N	-1	1	254.290	0.415	50	0		CCAAMM
CCOCCCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC000952883523	841589383	/nfs/dbraw/zinc/58/93/83/841589383.db2.gz	MXUWXWHUCYZZKF-NSHDSACASA-N	-1	1	281.360	0.798	50	0		CCAAMM
COCC[C@@]1(C(=O)[O-])CCCN(CCS(C)(=O)=O)C1	ZINC000091595732	349469497	/nfs/dbraw/zinc/46/94/97/349469497.db2.gz	BSRQIYWIWMEUHN-LBPRGKRZSA-N	-1	1	293.385	0.234	50	0		CCAAMM
O=C(COc1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000095168846	349594074	/nfs/dbraw/zinc/59/40/74/349594074.db2.gz	XCWIDKFHHBUNQV-LLVKDONJSA-N	-1	1	287.323	0.985	50	0		CCAAMM
O=C(CCCCCNc1ncccn1)Nc1nnn[n-]1	ZINC000095479491	349614535	/nfs/dbraw/zinc/61/45/35/349614535.db2.gz	JKUSDKQZVJACQV-UHFFFAOYSA-N	-1	1	276.304	0.601	50	0		CCAAMM
O=C(CCCCCNc1ncccn1)Nc1nn[n-]n1	ZINC000095479491	349614536	/nfs/dbraw/zinc/61/45/36/349614536.db2.gz	JKUSDKQZVJACQV-UHFFFAOYSA-N	-1	1	276.304	0.601	50	0		CCAAMM
C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CN(C)CCO1	ZINC000097100809	349627574	/nfs/dbraw/zinc/62/75/74/349627574.db2.gz	UQSDRRCCNSAYCN-RNCFNFMXSA-N	-1	1	282.315	0.980	50	0		CCAAMM
C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CN(C)CCO1	ZINC000097100807	349627756	/nfs/dbraw/zinc/62/77/56/349627756.db2.gz	UQSDRRCCNSAYCN-ZANVPECISA-N	-1	1	282.315	0.980	50	0		CCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N(C)C)n1	ZINC000097173507	349630820	/nfs/dbraw/zinc/63/08/20/349630820.db2.gz	ILPPMKIVTPFZNB-UHFFFAOYSA-N	-1	1	255.343	0.903	50	0		CCAAMM
Cc1c(C(=O)NCc2nn[n-]n2)c2cc(O)ccc2n1C	ZINC000097785503	349648167	/nfs/dbraw/zinc/64/81/67/349648167.db2.gz	NCYTWARORJIVQA-UHFFFAOYSA-N	-1	1	286.295	0.635	50	0		CCAAMM
COc1cccc(-n2nc(C(C)=O)c(=O)[n-]c2=O)c1	ZINC000001382819	347954177	/nfs/dbraw/zinc/95/41/77/347954177.db2.gz	ROVHUUUAHUWHID-UHFFFAOYSA-N	-1	1	261.237	0.132	50	0		CCAAMM
COC(=O)[C@]([O-])(NC(=O)c1ccccc1F)C(F)(F)F	ZINC000002311814	347965710	/nfs/dbraw/zinc/96/57/10/347965710.db2.gz	NYPBARIZRPQQCT-SNVBAGLBSA-N	-1	1	295.188	0.979	50	0		CCAAMM
O=C([O-])COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1	ZINC000002788644	347973102	/nfs/dbraw/zinc/97/31/02/347973102.db2.gz	ZXOHIHGUNPSEOF-KOLCDFICSA-N	-1	1	283.305	0.938	50	0		CCAAMM
COC(=O)c1ccc(/C=C2/NC(=S)[N-]C2=O)cc1	ZINC000000275737	347943205	/nfs/dbraw/zinc/94/32/05/347943205.db2.gz	UTJPDMSFFBJCJB-RMKNXTFCSA-N	-1	1	262.290	0.818	50	0		CCAAMM
CCOC(=O)c1ccc(Cc2c([O-])nc(N)[nH]c2=O)cc1	ZINC000019892762	348072870	/nfs/dbraw/zinc/07/28/70/348072870.db2.gz	HPJYZSXIXLGHTC-UHFFFAOYSA-N	-1	1	289.291	0.825	50	0		CCAAMM
CCCCNC(=O)CCCCc1c([O-])nc(N)[nH]c1=O	ZINC000019892766	348073336	/nfs/dbraw/zinc/07/33/36/348073336.db2.gz	SXTYCFPPCVQWNI-UHFFFAOYSA-N	-1	1	282.344	0.687	50	0		CCAAMM
C[C@H]1CN(C(=O)CSc2nc(N)cc(=O)[n-]2)C[C@H](C)O1	ZINC000016039466	348044101	/nfs/dbraw/zinc/04/41/01/348044101.db2.gz	WDJUNOJXIAAGMD-YUMQZZPRSA-N	-1	1	298.368	0.080	50	0		CCAAMM
CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ncccc1[O-])CC2	ZINC000091780815	180252783	/nfs/dbraw/zinc/25/27/83/180252783.db2.gz	YDIRJLYRLCGADM-NEPJUHHUSA-N	-1	1	292.335	0.789	50	0		CCAAMM
COc1ccccc1CCC(=O)N[C@@H](C)c1nc(=O)[n-][nH]1	ZINC000215763850	351937422	/nfs/dbraw/zinc/93/74/22/351937422.db2.gz	MYCOBKMWGYXNFS-VIFPVBQESA-N	-1	1	290.323	0.917	50	0		CCAAMM
CCOc1cccc(C(=O)N[C@@H](C)c2nc(=O)[n-][nH]2)c1	ZINC000215688188	351938061	/nfs/dbraw/zinc/93/80/61/351938061.db2.gz	GQVLKBGRVCVQQO-QMMMGPOBSA-N	-1	1	276.296	0.988	50	0		CCAAMM
O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nnn[n-]1	ZINC000252507376	352518532	/nfs/dbraw/zinc/51/85/32/352518532.db2.gz	WJNARPNWVRNDFR-UHFFFAOYSA-N	-1	1	285.267	0.420	50	0		CCAAMM
O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nn[n-]n1	ZINC000252507376	352518537	/nfs/dbraw/zinc/51/85/37/352518537.db2.gz	WJNARPNWVRNDFR-UHFFFAOYSA-N	-1	1	285.267	0.420	50	0		CCAAMM
CNC(=O)[C@H]1CCCN(C(=O)c2cc(C)ncc2[O-])C1	ZINC000584896972	359236837	/nfs/dbraw/zinc/23/68/37/359236837.db2.gz	AKPYSMQVJQXJAI-JTQLQIEISA-N	-1	1	277.324	0.694	50	0		CCAAMM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C)[nH]n2)C1	ZINC000630249463	370021397	/nfs/dbraw/zinc/02/13/97/370021397.db2.gz	MYPKSRRMSHQCAJ-LLVKDONJSA-N	-1	1	253.258	0.034	50	0		CCAAMM
O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ncccc1[O-]	ZINC000072149229	388959950	/nfs/dbraw/zinc/95/99/50/388959950.db2.gz	KIGVBXRYANKNAO-NSHDSACASA-N	-1	1	299.334	0.976	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)NC2CCCCC2)n1	ZINC000005045304	170060241	/nfs/dbraw/zinc/06/02/41/170060241.db2.gz	QTIXMNHIILMVDV-UHFFFAOYSA-N	-1	1	282.369	0.893	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2ccc(O)cc2)n1	ZINC000006025524	170170041	/nfs/dbraw/zinc/17/00/41/170170041.db2.gz	CNRMEZLXUXZPIE-UHFFFAOYSA-N	-1	1	292.320	0.789	50	0		CCAAMM
C[C@H]1CCCCN1C(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000008671285	170344553	/nfs/dbraw/zinc/34/45/53/170344553.db2.gz	SAMDVPIDUGIHNU-QMMMGPOBSA-N	-1	1	282.369	0.845	50	0		CCAAMM
Cc1noc(C)c1C(=O)OCC(=O)[N-]C(=O)c1ccco1	ZINC000009112756	170363770	/nfs/dbraw/zinc/36/37/70/170363770.db2.gz	CNNKLRFLEVBUMV-UHFFFAOYSA-N	-1	1	292.247	0.998	50	0		CCAAMM
COc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)[O-])CC1	ZINC000020180673	171044799	/nfs/dbraw/zinc/04/47/99/171044799.db2.gz	YPVSSCZERQBAQI-NSHDSACASA-N	-1	1	292.335	0.926	50	0		CCAAMM
O=C([O-])[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1	ZINC000071747992	176259123	/nfs/dbraw/zinc/25/91/23/176259123.db2.gz	WJKUFBDSFUYJKE-ZDUSSCGKSA-N	-1	1	287.319	0.595	50	0		CCAAMM
C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nc(=O)[n-][nH]1	ZINC000216023405	544814051	/nfs/dbraw/zinc/81/40/51/544814051.db2.gz	HIDPHPIFPKCNEP-ZETCQYMHSA-N	-1	1	290.279	0.247	50	0		CCAAMM
CC(C)/C=c1\[n-]c(=O)/c(=C\c2ccccc2)[nH]c1=O	ZINC000000000889	277320497	/nfs/dbraw/zinc/32/04/97/277320497.db2.gz	LCIIOYPBHIZBOD-QRBCZBMESA-N	-1	1	256.305	0.329	50	0		CCAAMM
Cc1cc(C(=O)N[C@@H](C)CN2CCOCC2)c([O-])cn1	ZINC000534644876	328330610	/nfs/dbraw/zinc/33/06/10/328330610.db2.gz	RRRXPZXLANNETR-NSHDSACASA-N	-1	1	279.340	0.546	50	0		CCAAMM
C[C@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(C2CC2)no1	ZINC000534661979	328350059	/nfs/dbraw/zinc/35/00/59/328350059.db2.gz	FWTCWIMKRJFVOQ-ZETCQYMHSA-N	-1	1	297.340	0.720	50	0		CCAAMM
Cc1ccc2nc(CNC(=O)NCC(=O)[O-])[nH]c2c1	ZINC000780619270	581237010	/nfs/dbraw/zinc/23/70/10/581237010.db2.gz	HRWQNHVKFFBOMQ-UHFFFAOYSA-N	-1	1	262.269	0.755	50	0		CCAAMM
O=C(NCc1nn[n-]n1)[C@@H](c1cccnc1)N1CCCC1	ZINC000095356586	349602223	/nfs/dbraw/zinc/60/22/23/349602223.db2.gz	KHFCDVLXSDAXIA-GFCCVEGCSA-N	-1	1	287.327	0.048	50	0		CCAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1Cc1cccc2nonc21	ZINC000097447024	349641240	/nfs/dbraw/zinc/64/12/40/349641240.db2.gz	UJZVBISYDWRVJL-GFCCVEGCSA-N	-1	1	299.290	0.957	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2ccccc2C)c(=O)[nH]c1=O	ZINC000100316112	349657273	/nfs/dbraw/zinc/65/72/73/349657273.db2.gz	ABSJRFMVBLONRB-SNVBAGLBSA-N	-1	1	260.249	0.783	50	0		CCAAMM
NC(=O)CCc1n[n-]c(=S)n1Cc1ccco1	ZINC000014093435	348032277	/nfs/dbraw/zinc/03/22/77/348032277.db2.gz	SSLZMYMNQDTHCN-UHFFFAOYSA-N	-1	1	252.299	1.000	50	0		CCAAMM
CC[C@H](C)NC(=O)c1c([O-])nc2sccn2c1=O	ZINC000016689987	348050142	/nfs/dbraw/zinc/05/01/42/348050142.db2.gz	IWCXSJIGLPIAHG-LURJTMIESA-N	-1	1	267.310	0.990	50	0		CCAAMM
Cn1cnc(S(=O)(=O)[N-]Cc2cccnc2)c1Cl	ZINC000027934458	348103405	/nfs/dbraw/zinc/10/34/05/348103405.db2.gz	XZYXRTHRPGCSQO-UHFFFAOYSA-N	-1	1	286.744	0.947	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCCC2)o1	ZINC000031483146	348126106	/nfs/dbraw/zinc/12/61/06/348126106.db2.gz	PNLWHMCVDXORAM-UHFFFAOYSA-N	-1	1	272.326	0.860	50	0		CCAAMM
C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)[O-])CC2)C1	ZINC000035126958	348157758	/nfs/dbraw/zinc/15/77/58/348157758.db2.gz	ZPEBEKHBEQIZHU-BETUJISGSA-N	-1	1	297.399	0.193	50	0		CCAAMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1CC1	ZINC000104135624	185906096	/nfs/dbraw/zinc/90/60/96/185906096.db2.gz	JQHZTRSZHYJGBO-UHFFFAOYSA-N	-1	1	260.297	0.461	50	0		CCAAMM
C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(N)=O	ZINC000058280571	348624262	/nfs/dbraw/zinc/62/42/62/348624262.db2.gz	CMKSSCVIYNWOEC-YFKPBYRVSA-N	-1	1	264.253	0.117	50	0		CCAAMM
Fc1cnc(NCc2nn[n-]n2)nc1N1CCCC1	ZINC000065384613	348712980	/nfs/dbraw/zinc/71/29/80/348712980.db2.gz	JYCVSWZTPDHINV-UHFFFAOYSA-N	-1	1	264.268	0.341	50	0		CCAAMM
CCN(CC(=O)NN1CC(=O)[N-]C1=O)c1ccccc1	ZINC000065043045	348706703	/nfs/dbraw/zinc/70/67/03/348706703.db2.gz	KGUJVHDYDNMGLH-UHFFFAOYSA-N	-1	1	276.296	0.096	50	0		CCAAMM
CN1CC[C@H](NC(=O)c2cc(F)ccc2[O-])C1=O	ZINC000080029634	349198692	/nfs/dbraw/zinc/19/86/92/349198692.db2.gz	UQVPMUYIMIKEMK-VIFPVBQESA-N	-1	1	252.245	0.492	50	0		CCAAMM
O=C([O-])C[N@H+]1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1	ZINC000091931064	180288164	/nfs/dbraw/zinc/28/81/64/180288164.db2.gz	PBCMANRYQIKIIS-RKDXNWHRSA-N	-1	1	250.254	0.266	50	0		CCAAMM
Nc1c(Br)c(=O)[n-]c(=O)n1-c1ccccc1	ZINC000002205593	388757125	/nfs/dbraw/zinc/75/71/25/388757125.db2.gz	OVAYAVUUDZGTPY-UHFFFAOYSA-N	-1	1	282.097	0.871	50	0		CCAAMM
Nc1cc(=O)[n-]c(SCC(=O)N2CCCC2)n1	ZINC000012566495	388786280	/nfs/dbraw/zinc/78/62/80/388786280.db2.gz	LDMNOPGQZGPRMA-UHFFFAOYSA-N	-1	1	254.315	0.067	50	0		CCAAMM
Cn1cc(CC(=O)Nc2nnn[n-]2)c2ccccc21	ZINC000049750543	388923042	/nfs/dbraw/zinc/92/30/42/388923042.db2.gz	CODFSHWCAXZQKU-UHFFFAOYSA-N	-1	1	256.269	0.873	50	0		CCAAMM
Cn1cc(CC(=O)Nc2nn[n-]n2)c2ccccc21	ZINC000049750543	388923048	/nfs/dbraw/zinc/92/30/48/388923048.db2.gz	CODFSHWCAXZQKU-UHFFFAOYSA-N	-1	1	256.269	0.873	50	0		CCAAMM
COc1cccc([C@@H]2CC(=O)Nc3nc(N)[n-]c(=O)c32)c1	ZINC000009317866	170371741	/nfs/dbraw/zinc/37/17/41/170371741.db2.gz	RKKHKCXYWWGKQE-VIFPVBQESA-N	-1	1	286.291	0.835	50	0		CCAAMM
Cc1nc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n[nH]1	ZINC000285307456	196246632	/nfs/dbraw/zinc/24/66/32/196246632.db2.gz	HUWJETOWNWUKRX-LURJTMIESA-N	-1	1	285.329	0.757	50	0		CCAAMM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[nH]1	ZINC000285307456	196246634	/nfs/dbraw/zinc/24/66/34/196246634.db2.gz	HUWJETOWNWUKRX-LURJTMIESA-N	-1	1	285.329	0.757	50	0		CCAAMM
Cc1nc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)no1	ZINC000072304732	176365972	/nfs/dbraw/zinc/36/59/72/176365972.db2.gz	ZCIQHOXQAQYHEL-UHFFFAOYSA-N	-1	1	285.263	0.545	50	0		CCAAMM
Cc1nc(N2CCCC2)ncc1-c1cc(=O)n2nc[n-]c2n1	ZINC000101451710	281923897	/nfs/dbraw/zinc/92/38/97/281923897.db2.gz	XNSLIBJIFYPDLM-UHFFFAOYSA-N	-1	1	297.322	0.783	50	0		CCAAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C1=O	ZINC000002133306	289850337	/nfs/dbraw/zinc/85/03/37/289850337.db2.gz	IGLDQCXWNWDXGF-LRDDRELGSA-N	-1	1	299.330	0.906	50	0	biogenic	CCAAMM
CCO[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000195567995	336056598	/nfs/dbraw/zinc/05/65/98/336056598.db2.gz	VWFPXWCUYGXUSN-IWSPIJDZSA-N	-1	1	253.306	0.187	50	0		CCAAMM
CN(CC(=O)[O-])c1ncc(CN2CCCC2)cn1	ZINC000534652428	819385826	/nfs/dbraw/zinc/38/58/26/819385826.db2.gz	FBDRYCIMRFSBPO-UHFFFAOYSA-N	-1	1	250.302	0.593	50	0		CCAAMM
CC(C)Cc1nc(C[N-]S(=O)(=O)c2cn[nH]c2)no1	ZINC000821487035	821464028	/nfs/dbraw/zinc/46/40/28/821464028.db2.gz	HBEFIVMGDUIYIO-UHFFFAOYSA-N	-1	1	285.329	0.470	50	0		CCAAMM
CCc1noc([C@@H](C)[N-]S(=O)(=O)c2cnn(CC)c2)n1	ZINC000823603580	821526574	/nfs/dbraw/zinc/52/65/74/821526574.db2.gz	ROANJBYWYOJCLB-MRVPVSSYSA-N	-1	1	299.356	0.888	50	0		CCAAMM
COC(=O)C[C@@H](c1cnn(C)c1)c1c(C)[n-][nH]c1=O	ZINC000095474974	349614393	/nfs/dbraw/zinc/61/43/93/349614393.db2.gz	CMLHCDXSDTYRNZ-VIFPVBQESA-N	-1	1	264.285	0.852	50	0		CCAAMM
O=C(C[C@@H]1CC(=O)Oc2ccccc21)Nc1nnn[n-]1	ZINC000095476352	349614413	/nfs/dbraw/zinc/61/44/13/349614413.db2.gz	ZENQQENDDBJCHI-SSDOTTSWSA-N	-1	1	273.252	0.621	50	0		CCAAMM
O=C(C[C@@H]1CC(=O)Oc2ccccc21)Nc1nn[n-]n1	ZINC000095476352	349614415	/nfs/dbraw/zinc/61/44/15/349614415.db2.gz	ZENQQENDDBJCHI-SSDOTTSWSA-N	-1	1	273.252	0.621	50	0		CCAAMM
CN(Cc1c[nH]nc1C(=O)[O-])Cc1n[nH]c2c1CCC2	ZINC000097532256	349643476	/nfs/dbraw/zinc/64/34/76/349643476.db2.gz	ZDYXDEJOXMDZAP-UHFFFAOYSA-N	-1	1	275.312	0.952	50	0		CCAAMM
c1nc(-c2nonc2[N-]Cn2nnc3ccccc32)no1	ZINC000000045612	347937190	/nfs/dbraw/zinc/93/71/90/347937190.db2.gz	XAUCCFHSIMMXTN-UHFFFAOYSA-N	-1	1	284.239	0.934	50	0		CCAAMM
CCOC(=O)[C@@]1(O)CC(C)=NN1C(=O)c1ccccc1[O-]	ZINC000001030806	347952423	/nfs/dbraw/zinc/95/24/23/347952423.db2.gz	DCQYMHUCWPQYDG-AWEZNQCLSA-N	-1	1	292.291	0.866	50	0		CCAAMM
O=c1c2c3c(sc2ncn1Cc1nn[n-]n1)CCC3	ZINC000004511492	347995887	/nfs/dbraw/zinc/99/58/87/347995887.db2.gz	PROAVBVPCTUUKI-UHFFFAOYSA-N	-1	1	274.309	0.508	50	0		CCAAMM
COc1ccc(OC)c(-n2c([O-])cc(=O)[nH]c2=O)c1	ZINC000005526729	348001140	/nfs/dbraw/zinc/00/11/40/348001140.db2.gz	GKPKRZWRSHAXEL-UHFFFAOYSA-N	-1	1	264.237	0.677	50	0		CCAAMM
CCOC(=O)c1cnc(N2CCOCC2)[n-]c1=O	ZINC000008772769	348012811	/nfs/dbraw/zinc/01/28/11/348012811.db2.gz	JUWSURXCRLIMJE-UHFFFAOYSA-N	-1	1	253.258	0.196	50	0		CCAAMM
CCOC(=O)c1[n-]nc2c1C(=O)N(c1ccccc1)C2=O	ZINC000017886405	348055511	/nfs/dbraw/zinc/05/55/11/348055511.db2.gz	IXJXTERQVHTICW-SECBINFHSA-N	-1	1	285.259	0.550	50	0		CCAAMM
CCOC(=O)c1n[n-]c2c1C(=O)N(c1ccccc1)C2=O	ZINC000017886405	348055513	/nfs/dbraw/zinc/05/55/13/348055513.db2.gz	IXJXTERQVHTICW-SECBINFHSA-N	-1	1	285.259	0.550	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)o1	ZINC000031549023	348126568	/nfs/dbraw/zinc/12/65/68/348126568.db2.gz	KSYUPUPNBNQTNQ-UHFFFAOYSA-N	-1	1	281.293	0.835	50	0		CCAAMM
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(N)=O	ZINC000058280572	348624698	/nfs/dbraw/zinc/62/46/98/348624698.db2.gz	CMKSSCVIYNWOEC-RXMQYKEDSA-N	-1	1	264.253	0.117	50	0		CCAAMM
CSc1ccccc1-n1c(Cc2nn[n-]n2)n[nH]c1=O	ZINC000065490014	348718321	/nfs/dbraw/zinc/71/83/21/348718321.db2.gz	QXUSPNOODUDHMU-UHFFFAOYSA-N	-1	1	289.324	0.386	50	0		CCAAMM
C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000062913781	348672866	/nfs/dbraw/zinc/67/28/66/348672866.db2.gz	NRKNIPPLVXUZMD-ZDUSSCGKSA-N	-1	1	274.280	0.895	50	0		CCAAMM
O=C(Nc1nn[n-]n1)C1=NO[C@H](c2ccccc2)C1	ZINC000071796046	348911310	/nfs/dbraw/zinc/91/13/10/348911310.db2.gz	RNGXRHSRWYUDDR-VIFPVBQESA-N	-1	1	258.241	0.656	50	0		CCAAMM
CC(C)CNC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000169785278	350839691	/nfs/dbraw/zinc/83/96/91/350839691.db2.gz	LYOHVLDDTPBZFN-SECBINFHSA-N	-1	1	252.322	0.745	50	0		CCAAMM
C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000170629321	350850340	/nfs/dbraw/zinc/85/03/40/350850340.db2.gz	UBWPVGVKAWBTLC-UTLUCORTSA-N	-1	1	283.328	0.553	50	0		CCAAMM
O=C([O-])c1n[nH]cc1CN1CCC(c2nnc[nH]2)CC1	ZINC000215515558	351937008	/nfs/dbraw/zinc/93/70/08/351937008.db2.gz	ZOKJDUCWDHSTAL-UHFFFAOYSA-N	-1	1	276.300	0.606	50	0		CCAAMM
CC(=O)N[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])C1	ZINC000215733824	351938171	/nfs/dbraw/zinc/93/81/71/351938171.db2.gz	RWEHHUAAIROWML-CYBMUJFWSA-N	-1	1	292.335	0.860	50	0		CCAAMM
NC1=NC(=O)[C@@H](Cc2ccccc2C(=O)[O-])S1	ZINC000096306113	389058873	/nfs/dbraw/zinc/05/88/73/389058873.db2.gz	CGVSQNMFHKRENQ-MRVPVSSYSA-N	-1	1	250.279	0.884	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)CC1	ZINC000426493187	389669160	/nfs/dbraw/zinc/66/91/60/389669160.db2.gz	MXIATUICPVGGEZ-TXEJJXNPSA-N	-1	1	284.356	0.156	50	0		CCAAMM
CCCCNC(=O)[C@@H](C)N1CCC[C@H](c2n[n-]c(=N)o2)C1	ZINC000585116353	390356806	/nfs/dbraw/zinc/35/68/06/390356806.db2.gz	RMXZBYJETXUZTL-MNOVXSKESA-N	-1	1	295.387	0.966	50	0		CCAAMM
CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccn2C)n[n-]1	ZINC000585131303	390358701	/nfs/dbraw/zinc/35/87/01/390358701.db2.gz	RIDDKGUQFDDASQ-MRVPVSSYSA-N	-1	1	291.311	0.811	50	0		CCAAMM
CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccn2C)[n-]1	ZINC000585131303	390358704	/nfs/dbraw/zinc/35/87/04/390358704.db2.gz	RIDDKGUQFDDASQ-MRVPVSSYSA-N	-1	1	291.311	0.811	50	0		CCAAMM
CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccn2C)n1	ZINC000585131303	390358705	/nfs/dbraw/zinc/35/87/05/390358705.db2.gz	RIDDKGUQFDDASQ-MRVPVSSYSA-N	-1	1	291.311	0.811	50	0		CCAAMM
O=C([O-])c1nn2c(nc(-c3ccccc3)cc2=O)[nH]1	ZINC000006315796	304283215	/nfs/dbraw/zinc/28/32/15/304283215.db2.gz	NRMOOPDXYOLKQV-UHFFFAOYSA-N	-1	1	256.221	0.783	50	0		CCAAMM
O=C([O-])CCN1CCN(Cc2cscn2)CC1	ZINC000035687186	172354991	/nfs/dbraw/zinc/35/49/91/172354991.db2.gz	FMWAUXGMBSOGKJ-UHFFFAOYSA-N	-1	1	255.343	0.735	50	0		CCAAMM
O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccccc2)CCN1	ZINC000071479589	176187355	/nfs/dbraw/zinc/18/73/55/176187355.db2.gz	CGGWEKUHXNLNSY-SYTKJHMZSA-N	-1	1	260.293	0.585	50	0		CCAAMM
O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@H](CO)[C@H](O)C1	ZINC000072163177	176330397	/nfs/dbraw/zinc/33/03/97/176330397.db2.gz	SLSHIFYPPIBRGH-ZWNOBZJWSA-N	-1	1	299.754	0.790	50	0		CCAAMM
COc1ccc(N2CCn3c2n[n-]c(=O)c3=O)cc1	ZINC000034936017	295156159	/nfs/dbraw/zinc/15/61/59/295156159.db2.gz	NYPJHNCSQQPCJU-UHFFFAOYSA-N	-1	1	260.253	0.504	50	0		CCAAMM
O=C([O-])c1n[nH]cc1CN1CCC2(CNC(=O)O2)CC1	ZINC000828305533	821757575	/nfs/dbraw/zinc/75/75/75/821757575.db2.gz	TUYWPOVPFXCOPW-UHFFFAOYSA-N	-1	1	280.284	0.182	50	0		CCAAMM
CN(N/C=C1\C(=O)[N-]C(=S)NC1=O)c1ccccc1	ZINC000095470900	349613572	/nfs/dbraw/zinc/61/35/72/349613572.db2.gz	ZSLKSVXLZBFMHC-UHFFFAOYSA-N	-1	1	276.321	0.883	50	0		CCAAMM
CN(N/C=C1/C(=O)[N-]C(=S)NC1=O)c1ccccc1	ZINC000095470900	349613575	/nfs/dbraw/zinc/61/35/75/349613575.db2.gz	ZSLKSVXLZBFMHC-UHFFFAOYSA-N	-1	1	276.321	0.883	50	0		CCAAMM
CN(NC=C1C(=O)[N-]C(=S)NC1=O)c1ccccc1	ZINC000095470900	349613577	/nfs/dbraw/zinc/61/35/77/349613577.db2.gz	ZSLKSVXLZBFMHC-UHFFFAOYSA-N	-1	1	276.321	0.883	50	0		CCAAMM
COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)c1ccc[nH]c1=O	ZINC000095474372	349613614	/nfs/dbraw/zinc/61/36/14/349613614.db2.gz	FTFNLLLMDHUJHN-VIFPVBQESA-N	-1	1	277.280	0.807	50	0		CCAAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3cccs3)C2)c1=O	ZINC000101763731	349669168	/nfs/dbraw/zinc/66/91/68/349669168.db2.gz	BTTMAIJMVTYLGI-ZCFIWIBFSA-N	-1	1	292.320	0.279	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nccs2)o1	ZINC000032914078	348141032	/nfs/dbraw/zinc/14/10/32/348141032.db2.gz	PIMDCFWPWZYVRZ-UHFFFAOYSA-N	-1	1	287.322	0.897	50	0		CCAAMM
Cc1nc2[n-]c(NC(=O)c3ccco3)nn2c(=O)c1C	ZINC000096795027	291462355	/nfs/dbraw/zinc/46/23/55/291462355.db2.gz	VGKOVICIDHWYGG-UHFFFAOYSA-N	-1	1	273.252	0.880	50	0		CCAAMM
O=C([O-])[C@@H]1c2[nH]cnc2CCN1C(=O)C1CCOCC1	ZINC000072421684	304162436	/nfs/dbraw/zinc/16/24/36/304162436.db2.gz	FZWDNFKCHCRQIE-NSHDSACASA-N	-1	1	279.296	0.347	50	0		CCAAMM
O=C(Nc1nn[n-]n1)c1cnc2c(F)cccc2c1O	ZINC000218122672	389135923	/nfs/dbraw/zinc/13/59/23/389135923.db2.gz	FMQJQTGUZYLBCG-UHFFFAOYSA-N	-1	1	274.215	0.845	50	0		CCAAMM
CCCn1ccnc1CN1CCN(CCC(=O)[O-])CC1	ZINC000385293095	389765921	/nfs/dbraw/zinc/76/59/21/389765921.db2.gz	CULKIWOAMDYOTF-UHFFFAOYSA-N	-1	1	280.372	0.885	50	0		CCAAMM
CCOCCCNC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000575314881	390837236	/nfs/dbraw/zinc/83/72/36/390837236.db2.gz	WLURAGUMVWJQPE-SNVBAGLBSA-N	-1	1	282.348	0.515	50	0		CCAAMM
Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccco1	ZINC000006417445	170199789	/nfs/dbraw/zinc/19/97/89/170199789.db2.gz	AZHOLXTYPMXROX-UHFFFAOYSA-N	-1	1	288.263	0.719	50	0		CCAAMM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN(C)C	ZINC000013027529	170529447	/nfs/dbraw/zinc/52/94/47/170529447.db2.gz	SWDKFZTUAYNQSD-UHFFFAOYSA-N	-1	1	286.353	0.533	50	0		CCAAMM
CC(C)(CO)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000020721599	171270469	/nfs/dbraw/zinc/27/04/69/171270469.db2.gz	UHQDEPLWFHGIMA-UHFFFAOYSA-N	-1	1	261.281	0.424	50	0		CCAAMM
Cc1noc(C)c1CC(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000035680834	172352648	/nfs/dbraw/zinc/35/26/48/172352648.db2.gz	DONPEXMDUKLTQO-UHFFFAOYSA-N	-1	1	295.339	0.453	50	0		CCAAMM
Cc1ccc(F)cc1C(=O)N1CCN[C@H](C(=O)[O-])C1	ZINC000071708030	176248659	/nfs/dbraw/zinc/24/86/59/176248659.db2.gz	LNJPXVIJOZZBPA-NSHDSACASA-N	-1	1	266.272	0.633	50	0		CCAAMM
CC(C)=C[C@H]1[C@H](C(=O)NN2CC(=O)[N-]C2=O)C1(C)C	ZINC000029023742	277327031	/nfs/dbraw/zinc/32/70/31/277327031.db2.gz	JMCBUOXISNGMBI-WCBMZHEXSA-N	-1	1	265.313	0.808	50	0		CCAAMM
CC(C)c1nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)[O-])no1	ZINC000534631040	328331411	/nfs/dbraw/zinc/33/14/11/328331411.db2.gz	KKMWORXBMWTAHZ-JTQLQIEISA-N	-1	1	291.311	0.928	50	0		CCAAMM
O=C(NCc1noc([C@H]2CCCO2)n1)c1ccc([O-])cn1	ZINC000534650025	328336467	/nfs/dbraw/zinc/33/64/67/328336467.db2.gz	LWZHAQSPECHMGX-SNVBAGLBSA-N	-1	1	290.279	0.952	50	0		CCAAMM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](C(=O)[O-])[NH2+]1	ZINC000003204425	574411959	/nfs/dbraw/zinc/41/19/59/574411959.db2.gz	ZWMZDKZTZLGVRQ-KOLCDFICSA-N	-1	1	260.249	0.893	50	0	endogenous,in-man	CCAAMM
CCc1noc([C@H](C)[N-]S(=O)(=O)c2cnn(C)c2)n1	ZINC000823569343	821526626	/nfs/dbraw/zinc/52/66/26/821526626.db2.gz	HLBXIOCMFPFHNM-ZETCQYMHSA-N	-1	1	285.329	0.405	50	0		CCAAMM
O=C([C@@H]1CCCS1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC000952882538	841587618	/nfs/dbraw/zinc/58/76/18/841587618.db2.gz	SDJWEYFVSVYZMU-UWVGGRQHSA-N	-1	1	281.385	0.876	50	0		CCAAMM
COc1ccccc1-c1cc(C(=O)Nc2nn[n-]n2)n[nH]1	ZINC000095476199	349614680	/nfs/dbraw/zinc/61/46/80/349614680.db2.gz	OFJNOORQODWZAX-UHFFFAOYSA-N	-1	1	285.267	0.851	50	0		CCAAMM
CCOCCNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000097609982	349644687	/nfs/dbraw/zinc/64/46/87/349644687.db2.gz	KOOGWWJVLCPRPM-UHFFFAOYSA-N	-1	1	251.286	0.414	50	0		CCAAMM
CC(=O)c1c([O-])n(-c2cccc(F)c2)c(=O)[nH]c1=O	ZINC000100316129	349657227	/nfs/dbraw/zinc/65/72/27/349657227.db2.gz	PFVNKLREUUMAKX-VIFPVBQESA-N	-1	1	264.212	0.614	50	0		CCAAMM
O=C(CSc1nccc(=O)[n-]1)N1CCCCC1	ZINC000018172836	348055947	/nfs/dbraw/zinc/05/59/47/348055947.db2.gz	BJYLTMYHPGRUNO-UHFFFAOYSA-N	-1	1	253.327	0.875	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)o1	ZINC000031613947	348126590	/nfs/dbraw/zinc/12/65/90/348126590.db2.gz	ICUPKYGJKTVGTJ-UHFFFAOYSA-N	-1	1	286.231	0.480	50	0		CCAAMM
CN(CCn1ccc2ccccc21)C(=O)Cc1nn[n-]n1	ZINC000067605657	348778656	/nfs/dbraw/zinc/77/86/56/348778656.db2.gz	XUZHDHZVEAVZON-UHFFFAOYSA-N	-1	1	284.323	0.856	50	0		CCAAMM
CCc1ccccc1OC1CN(C(=O)Cc2nn[n-]n2)C1	ZINC000067774872	348785266	/nfs/dbraw/zinc/78/52/66/348785266.db2.gz	UNKXOYUBRNQOGP-UHFFFAOYSA-N	-1	1	287.323	0.594	50	0		CCAAMM
CN1CCC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1=O	ZINC000067921665	348790586	/nfs/dbraw/zinc/79/05/86/348790586.db2.gz	HZTLSJXHEWULNS-HNNXBMFYSA-N	-1	1	289.335	0.872	50	0		CCAAMM
COc1ccc(CCC(=O)Nc2nnn[n-]2)cc1OC	ZINC000075284547	349030895	/nfs/dbraw/zinc/03/08/95/349030895.db2.gz	DAHXVETZLFOXJR-UHFFFAOYSA-N	-1	1	277.284	0.788	50	0		CCAAMM
COc1ccc(CCC(=O)Nc2nn[n-]n2)cc1OC	ZINC000075284547	349030897	/nfs/dbraw/zinc/03/08/97/349030897.db2.gz	DAHXVETZLFOXJR-UHFFFAOYSA-N	-1	1	277.284	0.788	50	0		CCAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c[nH]nc2C)o1	ZINC000170619715	350849433	/nfs/dbraw/zinc/84/94/33/350849433.db2.gz	KQZTZXTVRWPGHM-UHFFFAOYSA-N	-1	1	299.308	0.576	50	0		CCAAMM
CCN1C[C@H](CN(C)C(=O)c2ccc([O-])cn2)CC1=O	ZINC000299777805	354050470	/nfs/dbraw/zinc/05/04/70/354050470.db2.gz	OFZTZAMGDWRXPK-JTQLQIEISA-N	-1	1	277.324	0.728	50	0		CCAAMM
O=C([O-])c1cnc(CN2CCC(CCO)CC2)cn1	ZINC000299803792	354055533	/nfs/dbraw/zinc/05/55/33/354055533.db2.gz	CQAHVXUQQNXOLY-UHFFFAOYSA-N	-1	1	265.313	0.769	50	0		CCAAMM
O=c1cc([O-])[nH]c(=O)n1CCc1ccc(F)cc1	ZINC000009058795	388766134	/nfs/dbraw/zinc/76/61/34/388766134.db2.gz	NBHXUKXLCIEXLE-UHFFFAOYSA-N	-1	1	250.229	0.624	50	0		CCAAMM
C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(C)n2)C1	ZINC000096418476	389060135	/nfs/dbraw/zinc/06/01/35/389060135.db2.gz	YWEKANNBBSLQKW-VIFPVBQESA-N	-1	1	258.347	0.809	50	0		CCAAMM
O=C(NC(=S)Nc1nnn[n-]1)C1CCCCC1	ZINC000005829814	170145083	/nfs/dbraw/zinc/14/50/83/170145083.db2.gz	HIDFJIXHVVZDGK-UHFFFAOYSA-N	-1	1	254.319	0.593	50	0		CCAAMM
O=C(NC(=S)Nc1nn[n-]n1)C1CCCCC1	ZINC000005829814	170145084	/nfs/dbraw/zinc/14/50/84/170145084.db2.gz	HIDFJIXHVVZDGK-UHFFFAOYSA-N	-1	1	254.319	0.593	50	0		CCAAMM
C[C@@H]1CCCCN1C(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000008671284	170344900	/nfs/dbraw/zinc/34/49/00/170344900.db2.gz	SAMDVPIDUGIHNU-MRVPVSSYSA-N	-1	1	282.369	0.845	50	0		CCAAMM
C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1nnn[n-]1	ZINC000071796055	176264461	/nfs/dbraw/zinc/26/44/61/176264461.db2.gz	BNGVCLIJCHQJSI-MRVPVSSYSA-N	-1	1	280.332	0.613	50	0		CCAAMM
C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1nn[n-]n1	ZINC000071796055	176264463	/nfs/dbraw/zinc/26/44/63/176264463.db2.gz	BNGVCLIJCHQJSI-MRVPVSSYSA-N	-1	1	280.332	0.613	50	0		CCAAMM
CCC[C@H](NCC(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000218057446	329066954	/nfs/dbraw/zinc/06/69/54/329066954.db2.gz	DUISVLDVEQMUAS-DCAQKATOSA-N	-1	1	272.345	0.465	50	0		CCAAMM
CO[C@@H](C)CS(=O)(=O)[N-]c1cnc2ccnn2c1	ZINC000585129751	839616399	/nfs/dbraw/zinc/61/63/99/839616399.db2.gz	UTXNQJYMFOCHNB-QMMMGPOBSA-N	-1	1	270.314	0.506	50	0		CCAAMM
Cc1c(CCO)c(=O)[n-]n1C(=O)c1c(F)cccc1F	ZINC000001390476	347954489	/nfs/dbraw/zinc/95/44/89/347954489.db2.gz	QEJGOCHENXCWKJ-UHFFFAOYSA-N	-1	1	282.246	0.986	50	0		CCAAMM
COc1ccc(-n2nc(C(C)=O)c(=O)[n-]c2=O)cc1	ZINC000001383297	347954550	/nfs/dbraw/zinc/95/45/50/347954550.db2.gz	INDANFLNUJWOPV-UHFFFAOYSA-N	-1	1	261.237	0.132	50	0		CCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C)o1	ZINC000030706258	348119768	/nfs/dbraw/zinc/11/97/68/348119768.db2.gz	QBVWQHFEXSJXGB-MRVPVSSYSA-N	-1	1	288.325	0.049	50	0		CCAAMM
CN1CCN(C(=O)c2cccc(O)c2)C[C@H]1C(=O)[O-]	ZINC000067605848	348778814	/nfs/dbraw/zinc/77/88/14/348778814.db2.gz	BFMHVCBRMZFTRP-NSHDSACASA-N	-1	1	264.281	0.233	50	0		CCAAMM
CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]Cc1nnc[n-]1)C2	ZINC000067726834	348783303	/nfs/dbraw/zinc/78/33/03/348783303.db2.gz	LDRRTJZWYJBPKJ-MRVPVSSYSA-N	-1	1	290.327	0.366	50	0		CCAAMM
C[C@@H](CN1CCCC1=O)NC(=O)c1ncccc1[O-]	ZINC000069452295	348845816	/nfs/dbraw/zinc/84/58/16/348845816.db2.gz	VOLBMDQGTIPFKR-VIFPVBQESA-N	-1	1	263.297	0.528	50	0		CCAAMM
Cc1nc([C@H]2CCCN2Cc2c[nH]nc2C(=O)[O-])n[nH]1	ZINC000215182402	351934950	/nfs/dbraw/zinc/93/49/50/351934950.db2.gz	HDVVIOVYSMGUPO-SECBINFHSA-N	-1	1	276.300	0.872	50	0		CCAAMM
[NH3+][C@](CC[P@](=O)([O-])O)(Cc1ccccc1)C(=O)[O-]	ZINC000020112462	388794938	/nfs/dbraw/zinc/79/49/38/388794938.db2.gz	ISDPXZKXSZVIEF-LLVKDONJSA-N	-1	1	273.225	0.579	50	0	biogenic	CCAAMM
O=C(Nc1nn[n-]n1)c1cc2ccccc2c(=O)o1	ZINC000005704926	388763203	/nfs/dbraw/zinc/76/32/03/388763203.db2.gz	RWDXTEJZVXSSOX-UHFFFAOYSA-N	-1	1	257.209	0.558	50	0		CCAAMM
C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000585139523	390358747	/nfs/dbraw/zinc/35/87/47/390358747.db2.gz	MTAJESUVSALDRF-RNCFNFMXSA-N	-1	1	265.313	0.912	50	0		CCAAMM
C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000585139525	390358758	/nfs/dbraw/zinc/35/87/58/390358758.db2.gz	MTAJESUVSALDRF-ZANVPECISA-N	-1	1	265.313	0.912	50	0		CCAAMM
O=C(COc1ccc(Cl)cc1)Nc1nnn[n-]1	ZINC000006225692	397371812	/nfs/dbraw/zinc/37/18/12/397371812.db2.gz	NRPYRSXBPLUEMD-UHFFFAOYSA-N	-1	1	253.649	0.871	50	0		CCAAMM
O=C(COc1ccc(Cl)cc1)Nc1nn[n-]n1	ZINC000006225692	397371816	/nfs/dbraw/zinc/37/18/16/397371816.db2.gz	NRPYRSXBPLUEMD-UHFFFAOYSA-N	-1	1	253.649	0.871	50	0		CCAAMM
CN1CCCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CC1	ZINC000034926446	397375419	/nfs/dbraw/zinc/37/54/19/397375419.db2.gz	DQYGRMHIKHASHW-NXEZZACHSA-N	-1	1	254.330	0.507	50	0		CCAAMM
CN1CCCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	ZINC000034926447	397375639	/nfs/dbraw/zinc/37/56/39/397375639.db2.gz	DQYGRMHIKHASHW-UWVGGRQHSA-N	-1	1	254.330	0.507	50	0		CCAAMM
CO[C@H]1C[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC000650185950	397703129	/nfs/dbraw/zinc/70/31/29/397703129.db2.gz	WIQKWJOXFJNSLC-BDAKNGLRSA-N	-1	1	252.318	0.900	50	0		CCAAMM
O=C1C[C@H]([P@@](=O)([O-])CN2CCCCCC2=O)CO1	ZINC000004811811	170021300	/nfs/dbraw/zinc/02/13/00/170021300.db2.gz	HKOHUMPIZFCECB-VIFPVBQESA-N	-1	1	275.241	0.932	50	0		CCAAMM
COCCNC(=O)CSc1nc(C)c(C)c(=O)[n-]1	ZINC000005155274	170071467	/nfs/dbraw/zinc/07/14/67/170071467.db2.gz	GNUDZRIIZMNEAQ-UHFFFAOYSA-N	-1	1	271.342	0.241	50	0		CCAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC(=O)NC)n1	ZINC000007654306	170296013	/nfs/dbraw/zinc/29/60/13/170296013.db2.gz	YFWPQUZQCGYXOW-ZETCQYMHSA-N	-1	1	298.368	0.659	50	0		CCAAMM
C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000037406104	173181744	/nfs/dbraw/zinc/18/17/44/173181744.db2.gz	DFZCBCHFKIKESI-RXMQYKEDSA-N	-1	1	265.237	0.716	50	0		CCAAMM
Cc1cc(C)nc(-n2nc3[nH]c(C)cc(=O)c3c2[O-])n1	ZINC000018244520	301260819	/nfs/dbraw/zinc/26/08/19/301260819.db2.gz	XQMMJHRIMBVWSB-UHFFFAOYSA-N	-1	1	271.280	0.722	50	0		CCAAMM
Cc1cc(C)nc(-n2nc3[nH]c(C)cc([O-])c-3c2=O)n1	ZINC000018244520	301260823	/nfs/dbraw/zinc/26/08/23/301260823.db2.gz	XQMMJHRIMBVWSB-UHFFFAOYSA-N	-1	1	271.280	0.722	50	0		CCAAMM
O=C(NCc1noc([C@H]2CCCO2)n1)c1ncccc1[O-]	ZINC000534588819	328316808	/nfs/dbraw/zinc/31/68/08/328316808.db2.gz	CYQLCWQQIZSCFH-SECBINFHSA-N	-1	1	290.279	0.952	50	0		CCAAMM
CCOC(=O)c1cnc(=NN(C)C[C@H](C)O)[n-]c1C	ZINC000952883924	841589601	/nfs/dbraw/zinc/58/96/01/841589601.db2.gz	ZMVRJWMTAXYGFE-QMMMGPOBSA-N	-1	1	268.317	0.601	50	0		CCAAMM
O=C1[N-][C@@](O)(C(F)(F)F)C[C@@](O)(C(F)(F)F)N1	ZINC000095917876	349615808	/nfs/dbraw/zinc/61/58/08/349615808.db2.gz	ADRWILLWLBACGF-ZXZARUISSA-N	-1	1	268.113	0.191	50	0		CCAAMM
O=C1[N-][C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)N1	ZINC000095917876	349615810	/nfs/dbraw/zinc/61/58/10/349615810.db2.gz	ADRWILLWLBACGF-ZXZARUISSA-N	-1	1	268.113	0.191	50	0		CCAAMM
CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)[O-]	ZINC000004086238	347989210	/nfs/dbraw/zinc/98/92/10/347989210.db2.gz	KQLYNTGVFIMIPD-QWHCGFSZSA-N	-1	1	276.336	0.926	50	0	biogenic	CCAAMM
COC(=O)c1nn(-c2ccc(OC)cc2)c([O-])cc1=O	ZINC000015923709	348042776	/nfs/dbraw/zinc/04/27/76/348042776.db2.gz	IDXWGPJZRWLHPP-UHFFFAOYSA-N	-1	1	276.248	0.733	50	0		CCAAMM
CCN(CC)C(=O)CSc1nc([O-])cc(=O)n1C	ZINC000018192364	348056053	/nfs/dbraw/zinc/05/60/53/348056053.db2.gz	NCOZDCLQADDNRO-UHFFFAOYSA-N	-1	1	271.342	0.446	50	0		CCAAMM
CCOc1ccc(N2CCn3c2n[n-]c(=O)c3=O)cc1	ZINC000034936019	348153064	/nfs/dbraw/zinc/15/30/64/348153064.db2.gz	OAVARTGKOTYGGA-UHFFFAOYSA-N	-1	1	274.280	0.894	50	0		CCAAMM
O=C([O-])CCCCNC(=O)c1ccc2[nH]nnc2c1	ZINC000070199765	348879203	/nfs/dbraw/zinc/87/92/03/348879203.db2.gz	GNVDXPHEPITNEX-UHFFFAOYSA-N	-1	1	262.269	0.943	50	0		CCAAMM
CC[S@](=O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000072285537	348920419	/nfs/dbraw/zinc/92/04/19/348920419.db2.gz	YIGBGJSUHIAKDV-HXUWFJFHSA-N	-1	1	293.348	0.422	50	0		CCAAMM
Cn1c2ccc(S(=O)(=O)[N-]c3cnc[nH]3)cc2oc1=O	ZINC000225529965	352008192	/nfs/dbraw/zinc/00/81/92/352008192.db2.gz	ZTIFBKOJYSZITC-UHFFFAOYSA-N	-1	1	294.292	0.655	50	0		CCAAMM
COCCn1cnnc1[C@H](C)NC(=O)c1ncccc1[O-]	ZINC000220710838	351974697	/nfs/dbraw/zinc/97/46/97/351974697.db2.gz	ADFFANLCUXULLX-VIFPVBQESA-N	-1	1	291.311	0.516	50	0		CCAAMM
CC(C)n1cccc1C(=O)NCCCc1nn[n-]n1	ZINC000584890270	359230248	/nfs/dbraw/zinc/23/02/48/359230248.db2.gz	DQBRKXKEWTWCHT-UHFFFAOYSA-N	-1	1	262.317	0.945	50	0		CCAAMM
COc1cc(Cn2c([O-])cc(=O)[nH]c2=O)cc(OC)c1	ZINC000012350756	388780751	/nfs/dbraw/zinc/78/07/51/388780751.db2.gz	RZLORVLJIUWQCL-UHFFFAOYSA-N	-1	1	278.264	0.672	50	0		CCAAMM
S=c1[n-]nc(N2CCOCC2)n1C[C@@H]1CCCO1	ZINC000012505165	388784880	/nfs/dbraw/zinc/78/48/80/388784880.db2.gz	PPRYRQSBWFHMST-VIFPVBQESA-N	-1	1	270.358	0.956	50	0		CCAAMM
COCCC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)[O-])C1	ZINC000091818877	292379156	/nfs/dbraw/zinc/37/91/56/292379156.db2.gz	ZJACFFVVOJYGFK-LBPRGKRZSA-N	-1	1	259.302	0.664	50	0		CCAAMM
CC[C@@H](CO)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000038105274	174119866	/nfs/dbraw/zinc/11/98/66/174119866.db2.gz	JJFMNXSTZHOSSN-LURJTMIESA-N	-1	1	267.738	0.123	50	0		CCAAMM
COC(=O)c1nc(NC(=O)c2ccoc2C)n[n-]1	ZINC000044894058	175273590	/nfs/dbraw/zinc/27/35/90/175273590.db2.gz	BIYWUQHRRGKCSA-UHFFFAOYSA-N	-1	1	250.214	0.745	50	0		CCAAMM
COC(=O)c1n[n-]c(NC(=O)c2ccoc2C)n1	ZINC000044894058	175273591	/nfs/dbraw/zinc/27/35/91/175273591.db2.gz	BIYWUQHRRGKCSA-UHFFFAOYSA-N	-1	1	250.214	0.745	50	0		CCAAMM
C[C@H](NC(=O)c1cccc2ccnn21)c1nn[n-]n1	ZINC000072143668	176324188	/nfs/dbraw/zinc/32/41/88/176324188.db2.gz	GUBFSICZYQUFQA-ZETCQYMHSA-N	-1	1	257.257	0.338	50	0		CCAAMM
C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(=O)[nH]c(=O)[nH]1	ZINC000534642127	328328816	/nfs/dbraw/zinc/32/88/16/328328816.db2.gz	WGKQNRWTFOXQAI-NSHDSACASA-N	-1	1	253.258	0.327	50	0		CCAAMM
CC(C)c1nc(CN2Cc3[nH]cnc3C[C@@H]2C(=O)[O-])no1	ZINC000534631041	328331395	/nfs/dbraw/zinc/33/13/95/328331395.db2.gz	KKMWORXBMWTAHZ-SNVBAGLBSA-N	-1	1	291.311	0.928	50	0		CCAAMM
CC(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])N(C)C2)c1	ZINC000220596245	527353659	/nfs/dbraw/zinc/35/36/59/527353659.db2.gz	LLBNQUUFGKWMST-STQMWFEESA-N	-1	1	290.319	0.776	50	0		CCAAMM
O=C([O-])CCN1CCN(C(=O)C[C@H]2CCOC2)CC1	ZINC000401205153	803783101	/nfs/dbraw/zinc/78/31/01/803783101.db2.gz	QREIQHZNWYDJMU-LLVKDONJSA-N	-1	1	270.329	0.032	50	0		CCAAMM
O=C1CCCN1C[P@](=O)([O-])CN1CCOCC1	ZINC000000062016	347938166	/nfs/dbraw/zinc/93/81/66/347938166.db2.gz	DCKKGMDDWRTDJO-UHFFFAOYSA-N	-1	1	262.246	0.126	50	0		CCAAMM
COc1cccn(Cc2n[n-]c(=S)n2C)c1=O	ZINC000000169173	347940660	/nfs/dbraw/zinc/94/06/60/347940660.db2.gz	USYCZXYLGRLGOB-UHFFFAOYSA-N	-1	1	252.299	0.696	50	0		CCAAMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1	ZINC000001568163	347956197	/nfs/dbraw/zinc/95/61/97/347956197.db2.gz	AUDPUFBIVWMAED-LLVKDONJSA-N	-1	1	259.265	0.835	50	0		CCAAMM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(NC(C)=O)c2=O	ZINC000002359823	347966304	/nfs/dbraw/zinc/96/63/04/347966304.db2.gz	JBHJWZDKMWGYMV-UHFFFAOYSA-N	-1	1	293.304	0.562	50	0		CCAAMM
Cc1cc(NC(=O)CCSc2nc(N)cc(=O)[n-]2)no1	ZINC000013945460	348031438	/nfs/dbraw/zinc/03/14/38/348031438.db2.gz	TWARMHSMXSABQJ-UHFFFAOYSA-N	-1	1	295.324	0.769	50	0		CCAAMM
NC(=O)CCc1n[n-]c(=S)n1C[C@H]1CCCO1	ZINC000014093434	348032523	/nfs/dbraw/zinc/03/25/23/348032523.db2.gz	PFSWSBBXRMEJGE-SSDOTTSWSA-N	-1	1	256.331	0.538	50	0		CCAAMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1	ZINC000019014718	348057989	/nfs/dbraw/zinc/05/79/89/348057989.db2.gz	AUDPUFBIVWMAED-NSHDSACASA-N	-1	1	259.265	0.835	50	0		CCAAMM
O=c1ccc(=O)n(Cc2nnc(Cc3ccccc3)[nH]2)[n-]1	ZINC000065382717	348712991	/nfs/dbraw/zinc/71/29/91/348712991.db2.gz	NUGFAJOJKOZNCY-UHFFFAOYSA-N	-1	1	283.291	0.294	50	0		CCAAMM
O=c1ccc(=O)n(Cc2n[nH]c(Cc3ccccc3)n2)[n-]1	ZINC000065382717	348712992	/nfs/dbraw/zinc/71/29/92/348712992.db2.gz	NUGFAJOJKOZNCY-UHFFFAOYSA-N	-1	1	283.291	0.294	50	0		CCAAMM
Cc1nc[nH]c1-c1nnc(SCC(=O)[O-])n1C	ZINC000067432921	348773906	/nfs/dbraw/zinc/77/39/06/348773906.db2.gz	XURJHFGAMOJTOJ-UHFFFAOYSA-N	-1	1	253.287	0.690	50	0		CCAAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2nnnn2c1	ZINC000079486983	349179136	/nfs/dbraw/zinc/17/91/36/349179136.db2.gz	WMVNYQCDBJVUQP-UHFFFAOYSA-N	-1	1	298.188	0.514	50	0		CCAAMM
O=C(NCCn1ccnn1)c1c([O-])cccc1F	ZINC000131765612	350286688	/nfs/dbraw/zinc/28/66/88/350286688.db2.gz	RVZOEPLPDLMOPJ-UHFFFAOYSA-N	-1	1	250.233	0.553	50	0		CCAAMM
CCN1C[C@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1=O	ZINC000240886240	352305039	/nfs/dbraw/zinc/30/50/39/352305039.db2.gz	IOBAXFMKRZYSGE-SECBINFHSA-N	-1	1	287.323	0.149	50	0		CCAAMM
Cc1cc(C)n(CCN2CCc3[nH]nc(C(=O)[O-])c3C2)n1	ZINC000252488318	352516611	/nfs/dbraw/zinc/51/66/11/352516611.db2.gz	IOYMHSLGBGLMRN-UHFFFAOYSA-N	-1	1	289.339	0.980	50	0		CCAAMM
Cc1[nH]c(=S)[n-]c(=O)c1Oc1ccc(=O)n(C)n1	ZINC000005640460	291457739	/nfs/dbraw/zinc/45/77/39/291457739.db2.gz	CYJKUWISTQVGEN-UHFFFAOYSA-N	-1	1	266.282	0.627	50	0		CCAAMM
O=C([O-])c1ccccc1C[N@@H+]1CC[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000065423663	304269284	/nfs/dbraw/zinc/26/92/84/304269284.db2.gz	RPKGADZAXLZIJJ-CMPLNLGQSA-N	-1	1	279.292	0.795	50	0		CCAAMM
COc1ccc2c(c1)c(C(=O)Nc1nnn[n-]1)cn2C	ZINC000079464739	388997069	/nfs/dbraw/zinc/99/70/69/388997069.db2.gz	AFVJIBOBWNFEQM-UHFFFAOYSA-N	-1	1	272.268	0.952	50	0		CCAAMM
COc1ccc2c(c1)c(C(=O)Nc1nn[n-]n1)cn2C	ZINC000079464739	388997073	/nfs/dbraw/zinc/99/70/73/388997073.db2.gz	AFVJIBOBWNFEQM-UHFFFAOYSA-N	-1	1	272.268	0.952	50	0		CCAAMM
CC(C)c1nc(=NC[C@H]2CCCCS2(=O)=O)o[n-]1	ZINC000329631052	389179688	/nfs/dbraw/zinc/17/96/88/389179688.db2.gz	ICDNEDKTWXVAFW-SECBINFHSA-N	-1	1	273.358	0.994	50	0		CCAAMM
O=C([O-])[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1	ZINC000262986652	389297326	/nfs/dbraw/zinc/29/73/26/389297326.db2.gz	NVYIBUUWBMYFIZ-JTQLQIEISA-N	-1	1	265.269	0.213	50	0		CCAAMM
C[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@H](C)[NH2+]1	ZINC000153970764	389309711	/nfs/dbraw/zinc/30/97/11/389309711.db2.gz	VLIHAGSRPKPCTO-AOOOYVTPSA-N	-1	1	286.335	0.746	50	0		CCAAMM
Cc1nc2cc(C)ccn2c1C(=O)NCCCc1nn[n-]n1	ZINC000426438829	389667799	/nfs/dbraw/zinc/66/77/99/389667799.db2.gz	JNIAZTXNCUHESB-UHFFFAOYSA-N	-1	1	299.338	0.827	50	0		CCAAMM
O=C(NCCCc1nn[n-]n1)N1CCC(F)(F)CC1	ZINC000426504148	389670358	/nfs/dbraw/zinc/67/03/58/389670358.db2.gz	YCASGSXKXSGHKF-UHFFFAOYSA-N	-1	1	274.275	0.573	50	0		CCAAMM
CCOC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000010003336	170394793	/nfs/dbraw/zinc/39/47/93/170394793.db2.gz	YUQGXHIIAOIQEZ-UHFFFAOYSA-N	-1	1	254.271	0.714	50	0		CCAAMM
O=C([O-])CCNS(=O)(=O)c1c(F)cccc1F	ZINC000037405934	173181803	/nfs/dbraw/zinc/18/18/03/173181803.db2.gz	KFZXTSILIWEYLV-UHFFFAOYSA-N	-1	1	265.237	0.718	50	0		CCAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1cccnc1	ZINC000071285160	176109657	/nfs/dbraw/zinc/10/96/57/176109657.db2.gz	WEWDMYKOGJYNIC-UHFFFAOYSA-N	-1	1	298.306	0.692	50	0		CCAAMM
Cn1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cn1	ZINC000076936013	177133105	/nfs/dbraw/zinc/13/31/05/177133105.db2.gz	VGYHSONDMPHXOY-JTQLQIEISA-N	-1	1	259.331	0.731	50	0		CCAAMM
C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nc[nH]n1	ZINC000091624377	544527891	/nfs/dbraw/zinc/52/78/91/544527891.db2.gz	ATGQIJXOXLZWQQ-SSDOTTSWSA-N	-1	1	284.279	0.532	50	0		CCAAMM
O=c1[n-]c(=S)c2c(n1CCN1CCOCC1)CCC2	ZINC000008737562	280385864	/nfs/dbraw/zinc/38/58/64/280385864.db2.gz	HFXPMBLCCWIDFD-UHFFFAOYSA-N	-1	1	281.381	0.727	50	0		CCAAMM
Cc1ccc2c(c1)/C(=C1/NC(=S)[N-]C1=O)C(=O)N2	ZINC000100291128	281049303	/nfs/dbraw/zinc/04/93/03/281049303.db2.gz	LAMQCFGZZNMIOI-HJWRWDBZSA-N	-1	1	259.290	0.663	50	0		CCAAMM
Cc1c(C(=O)N2CCN(CCC(=O)[O-])CC2)ccn1C	ZINC000534579057	328311232	/nfs/dbraw/zinc/31/12/32/328311232.db2.gz	JJFXLFBWCRRWHQ-UHFFFAOYSA-N	-1	1	279.340	0.566	50	0		CCAAMM
CC[C@@H](NC(=O)NCc1nn[n-]n1)c1nc(C)c[nH]1	ZINC000670469141	545237112	/nfs/dbraw/zinc/23/71/12/545237112.db2.gz	JFVASZMLWVCILN-SSDOTTSWSA-N	-1	1	264.293	0.182	50	0		CCAAMM
Cn1ncc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)n1	ZINC000952881447	841584886	/nfs/dbraw/zinc/58/48/86/841584886.db2.gz	RKYAROUXDLAIBB-NSHDSACASA-N	-1	1	296.327	0.920	50	0		CCAAMM