smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001920593	1125778045	/nfs/dbraw/zinc/77/80/45/1125778045.db2.gz	MTAWZMIULVBHNF-SJGFGZQOSA-N	-1	0	296.282	3.709	50	30		CHEARM
CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C)cc2)c(O)c1	ZINC000606346856	1121666101	/nfs/dbraw/zinc/66/61/01/1121666101.db2.gz	ZJZFJLJEUYVXQM-UHFFFAOYSA-N	-1	0	297.402	3.993	50	30		CHEARM
O=C1c2ccccc2CC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000033474189	1129089709	/nfs/dbraw/zinc/08/97/09/1129089709.db2.gz	DEOMORNBLLGJQR-LCYFTJDESA-N	-1	0	295.294	3.513	50	30		CHEARM
CCc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000005125478	170068271	/nfs/dbraw/zinc/06/82/71/170068271.db2.gz	GHVWZONDWWXLCN-MHWRWJLKSA-N	-1	0	270.288	3.613	50	30		CHEARM
CC1(C)CC(=O)C(c2nc3ccccc3s2)=C([O-])C1	ZINC000005177989	170073878	/nfs/dbraw/zinc/07/38/78/170073878.db2.gz	PRRYHLSPFVHAHM-UHFFFAOYSA-N	-1	0	273.357	3.955	50	30		CHEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1	ZINC000005998841	170166353	/nfs/dbraw/zinc/16/63/53/170166353.db2.gz	VAZKCLAFKYKTIY-LICLKQGHSA-N	-1	0	298.346	3.629	50	30		CHEARM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)s1	ZINC000007333372	170278131	/nfs/dbraw/zinc/27/81/31/170278131.db2.gz	NQJJIAUFVJVNAV-DUXPYHPUSA-N	-1	0	294.278	3.621	50	30		CHEARM
COc1ccc(/C=C(\N=C(/C)c2ccccc2)C(=O)[O-])cc1	ZINC000019799830	170870403	/nfs/dbraw/zinc/87/04/03/170870403.db2.gz	HNSFREZQGRKTIC-YLRSGACBSA-N	-1	0	295.338	3.630	50	30		CHEARM
CCOc1ccc(/N=C/c2ccccc2O)c([S-])c1	ZINC000020841062	171275703	/nfs/dbraw/zinc/27/57/03/171275703.db2.gz	HSMOUZZQIBOUJH-MHWRWJLKSA-N	-1	0	273.357	3.830	50	30		CHEARM
N#Cc1ccc(-c2ccccc2C(=O)[O-])cc1Cl	ZINC000534630502	328331162	/nfs/dbraw/zinc/33/11/62/328331162.db2.gz	GXXRTYOTXXRDLB-UHFFFAOYSA-N	-1	0	257.676	3.577	50	30		CHEARM
C=C(C)C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1	ZINC000000247951	566900731	/nfs/dbraw/zinc/90/07/31/566900731.db2.gz	MWXYYJNCWKRQNC-UHFFFAOYSA-N	-1	0	294.310	3.715	50	30		CHEARM
COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000004252514	567856393	/nfs/dbraw/zinc/85/63/93/567856393.db2.gz	WGKASIDCKLLXKI-XBXARRHUSA-N	-1	0	288.730	3.950	50	30		CHEARM
COc1ccc(/C=N\c2ccc(/C=C\C(=O)[O-])cc2)cc1	ZINC000017354021	567875838	/nfs/dbraw/zinc/87/58/38/567875838.db2.gz	UIELBEHBZKVMEI-DPPOFUENSA-N	-1	0	281.311	3.544	50	30		CHEARM
CCN(CC)c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000000050453	567906031	/nfs/dbraw/zinc/90/60/31/567906031.db2.gz	LROSVNOAGKRHAE-CPNJWEJPSA-N	-1	0	296.370	3.982	50	30		CHEARM
C=C(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-]	ZINC000003130232	567937951	/nfs/dbraw/zinc/93/79/51/567937951.db2.gz	YZMLVMMJVKBSRF-UHFFFAOYSA-N	-1	0	260.120	3.522	50	30		CHEARM
[O-]/N=C/c1ccccc1OCc1ccccc1Cl	ZINC000100893681	567939384	/nfs/dbraw/zinc/93/93/84/567939384.db2.gz	YEMBTGSCXXONLN-CXUHLZMHSA-N	-1	0	261.708	3.727	50	30		CHEARM
Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1	ZINC000082072070	1126757000	/nfs/dbraw/zinc/75/70/00/1126757000.db2.gz	DJKNVZDTUJFDCL-INIZCTEOSA-N	-1	0	298.386	3.915	50	30		CHEARM
Cc1ncsc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000078984934	1118560420	/nfs/dbraw/zinc/56/04/20/1118560420.db2.gz	ACGGTLBZYZGUJK-SECBINFHSA-N	-1	0	291.401	3.522	50	30		CHEARM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2)c1[O-]	ZINC000004990003	1120938765	/nfs/dbraw/zinc/93/87/65/1120938765.db2.gz	LANDACORXVGVKG-OVCLIPMQSA-N	-1	0	276.679	3.704	50	30		CHEARM
Cc1ccccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000096792728	185114397	/nfs/dbraw/zinc/11/43/97/185114397.db2.gz	USGAKVCLFQJATR-FLIBITNWSA-N	-1	0	266.296	3.589	50	30		CHEARM
CCc1c(C)c(C#N)c2nc3ccccc3n2c1[S-]	ZINC000005823266	170144107	/nfs/dbraw/zinc/14/41/07/170144107.db2.gz	NPRRJFACKVHMDG-UHFFFAOYSA-N	-1	0	267.357	3.519	50	30		CHEARM
O=c1oc2ccccc2c([O-])c1/C=N/c1ccc(Cl)cc1	ZINC000018158890	170744486	/nfs/dbraw/zinc/74/44/86/170744486.db2.gz	KFEYJBGERCBYHB-GIJQJNRQSA-N	-1	0	299.713	3.903	50	30		CHEARM
CCC([O-])=C1C(=O)CC(C)(C)[C@H](c2ccccc2)C1=O	ZINC000004025274	567185766	/nfs/dbraw/zinc/18/57/66/567185766.db2.gz	YHGZEZKUEMFPNZ-OAHLLOKOSA-N	-1	0	272.344	3.560	50	30		CHEARM
O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccccc1[O-]	ZINC000071784713	567204909	/nfs/dbraw/zinc/20/49/09/567204909.db2.gz	CHDPAERIXVAOKJ-JXMROGBWSA-N	-1	0	290.265	3.890	50	30		CHEARM
O=C1c2ccccc2C(=O)C1=Cc1ccc([O-])c(Cl)c1	ZINC000000443892	567830366	/nfs/dbraw/zinc/83/03/66/567830366.db2.gz	COHDXJFAVOSOEV-UHFFFAOYSA-N	-1	0	284.698	3.508	50	30		CHEARM
CCc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000000465514	567831657	/nfs/dbraw/zinc/83/16/57/567831657.db2.gz	VIDOTUHMAPQVEY-VAWYXSNFSA-N	-1	0	295.338	3.756	50	30		CHEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2[O-])c(C)c1	ZINC000002056880	567844577	/nfs/dbraw/zinc/84/45/77/567844577.db2.gz	NGUCZPJIMCCELT-RQZCQDPDSA-N	-1	0	284.315	3.976	50	30		CHEARM
O/N=C/c1ccc(OCc2ccccc2Cl)cc1	ZINC000004498704	567857610	/nfs/dbraw/zinc/85/76/10/567857610.db2.gz	RIXPNWPKNIZOHD-CXUHLZMHSA-N	-1	0	261.708	3.727	50	30		CHEARM
CCCOc1ccc(C/N=C/c2ccccc2O)cc1	ZINC000057411752	567900875	/nfs/dbraw/zinc/90/08/75/567900875.db2.gz	ZZMCIHODLRFHBT-QGOAFFKASA-N	-1	0	269.344	3.800	50	30		CHEARM
C=CCc1ccccc1OCc1cccc(C(=O)[O-])c1	ZINC000000314902	567926650	/nfs/dbraw/zinc/92/66/50/567926650.db2.gz	KHBWACKDMZQJCG-UHFFFAOYSA-N	-1	0	268.312	3.692	50	30	biogenic	CHEARM
O=C1c2ccccc2S/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036031843	570233346	/nfs/dbraw/zinc/23/33/46/570233346.db2.gz	SNIXENINYQUBHV-RIYZIHGNSA-N	-1	0	299.307	3.630	50	30		CHEARM
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[n-]c1=O	ZINC000018201386	570391385	/nfs/dbraw/zinc/39/13/85/570391385.db2.gz	TZDBIWSNHLSLBP-UHFFFAOYSA-N	-1	0	272.307	3.581	50	30		CHEARM
CSc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000606347257	1121666107	/nfs/dbraw/zinc/66/61/07/1121666107.db2.gz	XUGZUZBJSJRMDL-UHFFFAOYSA-N	-1	0	286.356	3.553	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2ccc(C)cc2C)s1	ZINC000102763764	185790192	/nfs/dbraw/zinc/79/01/92/185790192.db2.gz	XUPOAZBWVCHAEP-AWEZNQCLSA-N	-1	0	297.379	3.879	50	30		CHEARM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1	ZINC000007712435	170298379	/nfs/dbraw/zinc/29/83/79/170298379.db2.gz	PLZWJHILFXJAIA-FPYGCLRLSA-N	-1	0	288.249	3.559	50	30		CHEARM
C=CCc1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000004184729	566888786	/nfs/dbraw/zinc/88/87/86/566888786.db2.gz	GSOKBROHIZVMNG-UHFFFAOYSA-N	-1	0	298.338	3.701	50	30	biogenic	CHEARM
CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(C#N)cc2)c1	ZINC000012926367	566931205	/nfs/dbraw/zinc/93/12/05/566931205.db2.gz	LCDXPLWBCGWCFO-UHFFFAOYSA-N	-1	0	294.354	3.814	50	30		CHEARM
[O-]c1c(C=Nc2ccccn2)sc2ccccc12	ZINC000018165250	567940014	/nfs/dbraw/zinc/94/00/14/567940014.db2.gz	QAMFHXKQMYJFCD-CXUHLZMHSA-N	-1	0	254.314	3.753	50	30		CHEARM
N#CC(C(=O)c1ccc(Cl)cc1)=C([O-])c1cccs1	ZINC000103259711	570286788	/nfs/dbraw/zinc/28/67/88/570286788.db2.gz	MINIPQYOOVWMBP-LLVKDONJSA-N	-1	0	289.743	3.607	50	30		CHEARM
CC(C)(C#N)c1ccc(-c2cccc(OCC(=O)[O-])c2)cc1	ZINC000534631069	328331340	/nfs/dbraw/zinc/33/13/40/328331340.db2.gz	XRIMAAHXUFSKIS-UHFFFAOYSA-N	-1	0	295.338	3.618	50	30		CHEARM
CCCCCCCC(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000100032483	464502566	/nfs/dbraw/zinc/50/25/66/464502566.db2.gz	IXIGWKNBFPKCCD-UHFFFAOYSA-N	-1	0	264.321	3.634	50	30		CHEARM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000001243716	567836468	/nfs/dbraw/zinc/83/64/68/567836468.db2.gz	GVNZBVMCFWWQMS-GZTJUZNOSA-N	-1	0	294.383	3.798	50	30		CHEARM
CCc1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1	ZINC000050294896	567925629	/nfs/dbraw/zinc/92/56/29/567925629.db2.gz	XGVWIYUYYQGYCF-UHFFFAOYSA-N	-1	0	296.421	3.625	50	30		CHEARM
CSc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000011903724	570221084	/nfs/dbraw/zinc/22/10/84/570221084.db2.gz	HJMVMJJGZICBKR-MHWRWJLKSA-N	-1	0	286.356	3.553	50	30		CHEARM
[O-]/N=C/c1cc(Cl)ccc1OCc1ccccc1F	ZINC000006926919	170256383	/nfs/dbraw/zinc/25/63/83/170256383.db2.gz	KEKBECBIDVNXRO-CAOOACKPSA-N	-1	0	279.698	3.866	50	30		CHEARM
O=C([O-])c1ccc(/C=C2/CCc3ccccc3C2=O)cc1	ZINC000033741918	171819727	/nfs/dbraw/zinc/81/97/27/171819727.db2.gz	ZAGOZLOKZDYDOG-PTNGSMBKSA-N	-1	0	278.307	3.597	50	30		CHEARM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000003157968	567851566	/nfs/dbraw/zinc/85/15/66/567851566.db2.gz	HCHZQSBSCGUKAA-UHFFFAOYSA-N	-1	0	263.337	3.684	50	30		CHEARM
Cc1cc(C)cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000012403639	567862897	/nfs/dbraw/zinc/86/28/97/567862897.db2.gz	ONGGLRPGYSKLST-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
N#C[C@H](CC(=O)[O-])[C@H](Cc1ccccc1)c1ccccc1	ZINC000004673193	570247864	/nfs/dbraw/zinc/24/78/64/570247864.db2.gz	NZQVHSSRRPRSOJ-DLBZAZTESA-N	-1	0	279.339	3.627	50	30		CHEARM
CCCc1cccc(/C=N/c2ccc(C(=O)[O-])cc2)c1O	ZINC000004529731	570331905	/nfs/dbraw/zinc/33/19/05/570331905.db2.gz	QUECWVPFFZPGCT-WOJGMQOQSA-N	-1	0	283.327	3.794	50	30		CHEARM
O=C1OC(c2ccccc2)N=C1C=Nc1ccccc1O	ZINC000252679161	1117902911	/nfs/dbraw/zinc/90/29/11/1117902911.db2.gz	IRPCEGJWSOWIST-UHFFFAOYSA-N	-1	0	280.283	3.503	50	30		CHEARM
O=C(/C=C/c1ccccc1)c1ccc([O-])c(Cl)c1	ZINC000044602952	1120136027	/nfs/dbraw/zinc/13/60/27/1120136027.db2.gz	VBJPFIJLQXICEF-SOFGYWHQSA-N	-1	0	258.704	3.942	50	30		CHEARM
C=CC[Si](CC=C)(CC=C)C[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000198087995	1123648812	/nfs/dbraw/zinc/64/88/12/1123648812.db2.gz	PRPQNQPEIJSRIQ-STQMWFEESA-N	-1	0	250.414	3.714	50	30		CHEARM
N#Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000085476854	179079540	/nfs/dbraw/zinc/07/95/40/179079540.db2.gz	MUZFISYMSYFCBF-UHFFFAOYSA-N	-1	0	257.676	3.577	50	30		CHEARM
N#Cc1cccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1	ZINC000079111964	567123844	/nfs/dbraw/zinc/12/38/44/567123844.db2.gz	QWTAMWTYDFTKCC-UHFFFAOYSA-N	-1	0	295.323	3.614	50	30		CHEARM
CCCCCSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1	ZINC000031773584	567182787	/nfs/dbraw/zinc/18/27/87/567182787.db2.gz	BLPSHRQDBLBQAJ-UHFFFAOYSA-N	-1	0	299.399	3.591	50	30		CHEARM
CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2C)c([O-])c1	ZINC000032502229	567193101	/nfs/dbraw/zinc/19/31/01/567193101.db2.gz	XCKVMYUTJKTZBH-JXMROGBWSA-N	-1	0	295.338	3.555	50	30		CHEARM
CC(C)[C@@H](C)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000000402484	567829458	/nfs/dbraw/zinc/82/94/58/567829458.db2.gz	MNTFGPTUJSZCLY-JTQLQIEISA-N	-1	0	258.317	3.560	50	30		CHEARM
Cc1ccc(Sc2ccc(/C=N/[O-])cc2[N+](=O)[O-])cc1	ZINC000003028560	567851356	/nfs/dbraw/zinc/85/13/56/567851356.db2.gz	GLQPVPOASIGPKW-OQLLNIDSSA-N	-1	0	288.328	3.863	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cnc3ccccc3c2)c1	ZINC000254817545	567859584	/nfs/dbraw/zinc/85/95/84/567859584.db2.gz	XSFUOEAMKWMCGM-UHFFFAOYSA-N	-1	0	293.282	3.599	50	30		CHEARM
C=CCc1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000002905638	567860639	/nfs/dbraw/zinc/86/06/39/567860639.db2.gz	FKZJQQFOABZGMD-UHFFFAOYSA-N	-1	0	268.312	3.692	50	30	biogenic	CHEARM
Clc1ccc2[nH]c(=NN=Cc3ccoc3)oc2c1	ZINC000013551183	567866199	/nfs/dbraw/zinc/86/61/99/567866199.db2.gz	DNSCQNNKALIYPX-MKMNVTDBSA-N	-1	0	261.668	3.520	50	30		CHEARM
[O-]/N=C/c1ccc(-c2ccccc2OC(F)(F)F)o1	ZINC000015924184	567871974	/nfs/dbraw/zinc/87/19/74/567871974.db2.gz	HVZHTVWSSHHIAX-FRKPEAEDSA-N	-1	0	271.194	3.653	50	30		CHEARM
C=C1C(=NNc2cc(C)ccc2C)C(=O)N=C([O-])C1C#N	ZINC000004631885	567896930	/nfs/dbraw/zinc/89/69/30/567896930.db2.gz	UKDSRWADNCQVLT-VHEBQXMUSA-N	-1	0	282.303	3.705	50	30		CHEARM
CCOc1ccc(C/N=C/c2ccccc2O)cc1OCC	ZINC000057411756	567900904	/nfs/dbraw/zinc/90/09/04/567900904.db2.gz	DFXFJVOMKMLNOT-CPNJWEJPSA-N	-1	0	299.370	3.809	50	30		CHEARM
CCc1ccc(C(=O)C(C#N)=C([O-])c2ccc(C)s2)cc1	ZINC000102763746	567942252	/nfs/dbraw/zinc/94/22/52/567942252.db2.gz	DTVQQFBBIZAEIO-CQSZACIVSA-N	-1	0	297.379	3.824	50	30		CHEARM
N#Cc1cccc(CSc2ccccc2C(=O)[O-])c1	ZINC000012812196	570395814	/nfs/dbraw/zinc/39/58/14/570395814.db2.gz	ZUCMPWPGWUCFKR-UHFFFAOYSA-N	-1	0	269.325	3.549	50	30		CHEARM
C=CC[Si](CC=C)(CC=C)C[C@@H]1C[C@H]1C(=O)[O-]	ZINC000198088011	1119157941	/nfs/dbraw/zinc/15/79/41/1119157941.db2.gz	PRPQNQPEIJSRIQ-QWHCGFSZSA-N	-1	0	250.414	3.714	50	30		CHEARM
O=C([O-])c1ccc(/C=C2/CSc3ccccc3C2=O)cc1	ZINC000096792532	185114418	/nfs/dbraw/zinc/11/44/18/185114418.db2.gz	CURSLZRHPWEDBJ-LCYFTJDESA-N	-1	0	296.347	3.757	50	30		CHEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccccn1	ZINC000100033108	185702261	/nfs/dbraw/zinc/70/22/61/185702261.db2.gz	AHSQFVPMFKTIHM-FRKPEAEDSA-N	-1	0	267.115	3.845	50	30		CHEARM
Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/[O-]	ZINC000000075254	169527315	/nfs/dbraw/zinc/52/73/15/169527315.db2.gz	VTKVLLAIUHHKGI-LHHJGKSTSA-N	-1	0	271.103	3.765	50	30		CHEARM
C=CCOc1ccc(CNc2ccccc2C(=O)[O-])cc1C	ZINC000002546407	169806703	/nfs/dbraw/zinc/80/67/03/169806703.db2.gz	RBCJDLUGXLKBBJ-UHFFFAOYSA-N	-1	0	297.354	3.870	50	30		CHEARM
O=C([O-])CCCCC(=NNc1ccccc1)c1ccccn1	ZINC000005265653	170081344	/nfs/dbraw/zinc/08/13/44/170081344.db2.gz	RUXZNQAFIDACGZ-CAPFRKAQSA-N	-1	0	297.358	3.543	50	30		CHEARM
CC1(C)[C@@]2(C(=O)[O-])CC[C@]1(C)C(N=Nc1ccccc1)C2	ZINC000005592193	170116867	/nfs/dbraw/zinc/11/68/67/170116867.db2.gz	IQOTWUCLAKEYNN-YVPLBCMISA-N	-1	0	286.375	3.756	50	30		CHEARM
O=C([O-])c1ccc(/C=C2\CCc3ccccc3C2=O)cc1	ZINC000006339675	170193978	/nfs/dbraw/zinc/19/39/78/170193978.db2.gz	ZAGOZLOKZDYDOG-RVDMUPIBSA-N	-1	0	278.307	3.597	50	30		CHEARM
O=C(/C=C/c1ccccc1O)c1cc(Cl)ccc1[O-]	ZINC000039023373	174161903	/nfs/dbraw/zinc/16/19/03/174161903.db2.gz	OZKSXJSJFXQLSC-FNORWQNLSA-N	-1	0	274.703	3.647	50	30		CHEARM
C=CCC(C(=O)c1ccccc1)=C([O-])c1ccccc1	ZINC000101194788	566889667	/nfs/dbraw/zinc/88/96/67/566889667.db2.gz	HZACIMYFKUZRTQ-UHFFFAOYSA-N	-1	0	264.324	3.945	50	30		CHEARM
O=C([O-])c1ccc(N=Cc2c(O)ccc3ccccc32)cc1	ZINC000252463714	567053543	/nfs/dbraw/zinc/05/35/43/567053543.db2.gz	VZEJBHQYZBEMMM-UHFFFAOYSA-N	-1	0	291.306	3.994	50	30		CHEARM
O=C([O-])c1ccc(/N=C/c2ccc3ccccc3n2)cc1	ZINC000002339796	567100033	/nfs/dbraw/zinc/10/00/33/567100033.db2.gz	WOZWUWZYIHTHAX-WOJGMQOQSA-N	-1	0	276.295	3.684	50	30		CHEARM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1	ZINC000004587146	567872654	/nfs/dbraw/zinc/87/26/54/567872654.db2.gz	PVFJIOXYWPTUOR-OVCLIPMQSA-N	-1	0	294.763	3.936	50	30		CHEARM
CSc1ccc(C/N=C/c2ccccc2O)cc1	ZINC000057411760	567900898	/nfs/dbraw/zinc/90/08/98/567900898.db2.gz	MXHQDJVWIBSYAW-LFIBNONCSA-N	-1	0	257.358	3.733	50	30		CHEARM
Cc1ccc2cc(/N=C/c3ccccc3O)ccc2n1	ZINC000000254971	567925625	/nfs/dbraw/zinc/92/56/25/567925625.db2.gz	JWYSJICCYMZGTC-WOJGMQOQSA-N	-1	0	262.312	3.999	50	30		CHEARM
N#C[C@@H](CC(=O)[O-])[C@H](Cc1ccccc1)c1ccccc1	ZINC000004673195	570247811	/nfs/dbraw/zinc/24/78/11/570247811.db2.gz	NZQVHSSRRPRSOJ-IAGOWNOFSA-N	-1	0	279.339	3.627	50	30		CHEARM
COc1ccc(O)c(/C=N/c2sc(C)c(C)c2C#N)c1	ZINC000013130827	570360551	/nfs/dbraw/zinc/36/05/51/570360551.db2.gz	CIEPWXMKBGEIJV-CAOOACKPSA-N	-1	0	286.356	3.701	50	30		CHEARM
CCCCC(=N/O)/C(=N\[O-])c1ccc2c(c1)CCCC2	ZINC000005417510	170096950	/nfs/dbraw/zinc/09/69/50/170096950.db2.gz	MECIXUUEYMGIFD-IQRFGFHNSA-N	-1	0	274.364	3.764	50	30		CHEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2)c1	ZINC000005981742	170165129	/nfs/dbraw/zinc/16/51/29/170165129.db2.gz	XTDMHASTSPNCIG-GZTJUZNOSA-N	-1	0	294.383	3.798	50	30		CHEARM
N#CC(=C([O-])c1ccco1)c1nc2cc(F)ccc2s1	ZINC000095389708	567127969	/nfs/dbraw/zinc/12/79/69/567127969.db2.gz	SDOQPHCDCYBFHV-SECBINFHSA-N	-1	0	286.287	3.518	50	30		CHEARM
O=C1c2ccccc2/C(=N/[O-])c2ccc3ccccc3c21	ZINC000102311428	567218747	/nfs/dbraw/zinc/21/87/47/567218747.db2.gz	WIRCQTMANDCPPD-ZPHPHTNESA-N	-1	0	273.291	3.611	50	30		CHEARM
C/C(=N\CCc1c[nH]c2ccccc12)c1ccccc1O	ZINC000000099882	567818193	/nfs/dbraw/zinc/81/81/93/567818193.db2.gz	ZWJMBJLWLVQRKH-CPNJWEJPSA-N	-1	0	278.355	3.925	50	30		CHEARM
Cc1ccc(C)c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000000100618	567818240	/nfs/dbraw/zinc/81/82/40/567818240.db2.gz	SSADERBYVNYBEK-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
Cc1cc(C)c(O)c(C(=O)/C=C/c2cccs2)c1	ZINC000004368339	567863920	/nfs/dbraw/zinc/86/39/20/567863920.db2.gz	HQLLRZXKGRCDAT-AATRIKPKSA-N	-1	0	258.342	3.967	50	30		CHEARM
N#Cc1ccccc1Oc1ccc(C(=O)[O-])cc1Cl	ZINC000048803794	567926763	/nfs/dbraw/zinc/92/67/63/567926763.db2.gz	FLWFXICVOGXLHF-UHFFFAOYSA-N	-1	0	273.675	3.702	50	30		CHEARM
CCN(CC)c1ccc(C=Nc2ccccc2)c(O)c1	ZINC000252461675	570270370	/nfs/dbraw/zinc/27/03/70/570270370.db2.gz	NJVXPGOKQZBFPC-UHFFFAOYSA-N	-1	0	268.360	3.989	50	30		CHEARM
Cc1ccccc1NC=CC(=O)c1ccccc1[O-]	ZINC000071772509	1118392532	/nfs/dbraw/zinc/39/25/32/1118392532.db2.gz	QGOYOWRNXQPOIE-ZHACJKMWSA-N	-1	0	253.301	3.509	50	30		CHEARM
CCc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000098006971	1129638184	/nfs/dbraw/zinc/63/81/84/1129638184.db2.gz	QENRGZSNQJSIKS-XFXZXTDPSA-N	-1	0	294.350	3.772	50	30		CHEARM
Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1C	ZINC000254696740	1129705229	/nfs/dbraw/zinc/70/52/29/1129705229.db2.gz	ATJIOBDMUBXYPE-UHFFFAOYSA-N	-1	0	270.288	3.668	50	30		CHEARM
C=CCn1c(=O)c2c([n-]c1=S)sc1c2CC[C@@H](C)C1	ZINC000238937470	131079301	/nfs/dbraw/zinc/07/93/01/131079301.db2.gz	VSKACNLYNLLUHR-MRVPVSSYSA-N	-1	0	292.429	3.844	50	30		CHEARM
N#CC(=C([O-])c1cccs1)c1nc2ccccc2s1	ZINC000005777619	170139725	/nfs/dbraw/zinc/13/97/25/170139725.db2.gz	IJMRNDDBLQYSHL-VIFPVBQESA-N	-1	0	284.365	3.848	50	30		CHEARM
C=CCOc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1	ZINC000016578076	526891615	/nfs/dbraw/zinc/89/16/15/526891615.db2.gz	ZMOOYUPZTOBGCQ-UHFFFAOYSA-N	-1	0	297.354	3.870	50	30		CHEARM
O=CC1=C([O-])c2ccccc2[C@@H](c2ccccc2)C1	ZINC000003080699	566914872	/nfs/dbraw/zinc/91/48/72/566914872.db2.gz	UJAPMEFSGGQZCZ-DVFVSVACSA-N	-1	0	250.297	3.847	50	30		CHEARM
O=C(/C=C/C=C\c1ccccc1)c1ccccc1[O-]	ZINC000016998607	567033729	/nfs/dbraw/zinc/03/37/29/567033729.db2.gz	DXWDXKXZKZQFAW-YMSJWGFRSA-N	-1	0	250.297	3.845	50	30		CHEARM
Cc1oc(CNC(=O)C=C2CCC(C)CC2)cc1C(=O)[O-]	ZINC000328595353	567118678	/nfs/dbraw/zinc/11/86/78/567118678.db2.gz	SBVPSFBTQOIDNR-UHFFFAOYSA-N	-1	0	291.347	3.879	50	30		CHEARM
C/C(=N\O)c1ccc(NC(=O)Nc2ccccc2)cc1	ZINC000019509951	567877857	/nfs/dbraw/zinc/87/78/57/567877857.db2.gz	MNFHPLAACXQPQT-WOJGMQOQSA-N	-1	0	269.304	3.529	50	30		CHEARM
Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1	ZINC000058270005	567895948	/nfs/dbraw/zinc/89/59/48/567895948.db2.gz	DJKNVZDTUJFDCL-MRXNPFEDSA-N	-1	0	298.386	3.915	50	30		CHEARM
C=CCn1c(CCC(=O)[O-])ccc1-c1ccc(C)cc1	ZINC000000470256	567932865	/nfs/dbraw/zinc/93/28/65/567932865.db2.gz	NUAJLKFIPNGSQN-UHFFFAOYSA-N	-1	0	269.344	3.667	50	30		CHEARM
[O-]N=C(Cc1nc2ccccc2s1)c1ccccc1	ZINC000254496636	1129698601	/nfs/dbraw/zinc/69/86/01/1129698601.db2.gz	FXTPIHGWDQJBOA-UHFFFAOYSA-N	-1	0	268.341	3.717	50	30		CHEARM
N#Cc1c(=O)[n-]c(Nc2ccccc2)nc1-c1cccs1	ZINC000000134701	169549334	/nfs/dbraw/zinc/54/93/34/169549334.db2.gz	AGWUQTIIPRYLDN-UHFFFAOYSA-N	-1	0	294.339	3.526	50	30		CHEARM
CCc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1	ZINC000004715996	170004038	/nfs/dbraw/zinc/00/40/38/170004038.db2.gz	XVUJOZJSUZSDMH-LDADJPATSA-N	-1	0	282.343	3.783	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2ccccc2Cl)c1	ZINC000005583504	170116379	/nfs/dbraw/zinc/11/63/79/170116379.db2.gz	USDADXMYPAJUBF-OVCLIPMQSA-N	-1	0	276.679	3.704	50	30		CHEARM
CCCCCCCCCCCCN1C[C@H](C(=O)[O-])CC1=O	ZINC000095883148	327203375	/nfs/dbraw/zinc/20/33/75/327203375.db2.gz	ZNQTZHTYSHEJLH-OAHLLOKOSA-N	-1	0	297.439	3.840	50	30		CHEARM
CCC(CC)(CC)NC(=O)c1s[n-]c(=O)c1Cl	ZINC000330031662	521389963	/nfs/dbraw/zinc/38/99/63/521389963.db2.gz	CEWNPLLMMDAANX-UHFFFAOYSA-N	-1	0	276.789	3.776	50	30		CHEARM
O=C(C=CNc1ccc(F)c(Cl)c1)c1ccccc1[O-]	ZINC000096191632	567139233	/nfs/dbraw/zinc/13/92/33/567139233.db2.gz	YVGRDVDTLHFOKQ-BQYQJAHWSA-N	-1	0	291.709	3.993	50	30		CHEARM
O=C(/C=C/c1ccc(F)cc1)c1cc(F)ccc1[O-]	ZINC000004279009	567192671	/nfs/dbraw/zinc/19/26/71/567192671.db2.gz	MICVLUDXQZRAIN-XVNBXDOJSA-N	-1	0	260.239	3.567	50	30		CHEARM
[O-]/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000000129465	567819246	/nfs/dbraw/zinc/81/92/46/567819246.db2.gz	SHNIRXYDMJCBIS-AYSLTRBKSA-N	-1	0	257.133	3.532	50	30		CHEARM
O/N=C/c1ccc(-c2ccccc2Br)o1	ZINC000000549941	567833344	/nfs/dbraw/zinc/83/33/44/567833344.db2.gz	UEXUUNIWRDDEPZ-NTUHNPAUSA-N	-1	0	266.094	3.517	50	30		CHEARM
Cc1ccc(OC(=S)[N-]c2ccc(O)cc2)cc1	ZINC000004165261	567855841	/nfs/dbraw/zinc/85/58/41/567855841.db2.gz	ZBYMHXWLEQDVPH-UHFFFAOYSA-N	-1	0	259.330	3.697	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2ccc(C)cc2)s1	ZINC000100871550	567939140	/nfs/dbraw/zinc/93/91/40/567939140.db2.gz	UKSOGFCFDVVLTA-ZDUSSCGKSA-N	-1	0	283.352	3.570	50	30		CHEARM
Cc1cc(C)cc(C(=O)C(C#N)=C([O-])c2cccs2)c1	ZINC000103259756	570286708	/nfs/dbraw/zinc/28/67/08/570286708.db2.gz	ITYZVKAGCRFITH-ZDUSSCGKSA-N	-1	0	283.352	3.570	50	30		CHEARM
O=C([O-])c1ccc(/C=C2\CSc3ccccc3C2=O)cc1	ZINC000013004384	956906242	/nfs/dbraw/zinc/90/62/42/956906242.db2.gz	CURSLZRHPWEDBJ-UKTHLTGXSA-N	-1	0	296.347	3.757	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)c1	ZINC000082076672	1126756452	/nfs/dbraw/zinc/75/64/52/1126756452.db2.gz	FDHWXIRIFWLDHW-INIZCTEOSA-N	-1	0	298.386	3.915	50	30		CHEARM
C=CCOc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000002546345	169806565	/nfs/dbraw/zinc/80/65/65/169806565.db2.gz	GEWRVWXROZIVLN-UHFFFAOYSA-N	-1	0	283.327	3.562	50	30		CHEARM
CCc1n[n-]c(=S)n1N=C(C)c1ccc2ccccc2c1	ZINC000005686823	170128793	/nfs/dbraw/zinc/12/87/93/170128793.db2.gz	AANVEHKKJZAYGM-YBFXNURJSA-N	-1	0	296.399	3.929	50	30		CHEARM
O=C([O-])Cc1ccccc1/N=C/c1ccccc1Cl	ZINC000043761128	566917108	/nfs/dbraw/zinc/91/71/08/566917108.db2.gz	OGRWTFARUMMHOL-LICLKQGHSA-N	-1	0	273.719	3.718	50	30		CHEARM
CC1(C)CC(=O)C=C(C=CNc2ccc(C(=O)[O-])cc2)C1	ZINC000002508494	566962607	/nfs/dbraw/zinc/96/26/07/566962607.db2.gz	BAIFRGXCNIHTKC-BQYQJAHWSA-N	-1	0	285.343	3.626	50	30		CHEARM
CC(=O)Nc1ccc([O-])c(C(=O)/C=C/c2cccc(C)c2)c1	ZINC000032502245	567193001	/nfs/dbraw/zinc/19/30/01/567193001.db2.gz	FVHVAIUZTFUJKC-SOFGYWHQSA-N	-1	0	295.338	3.555	50	30		CHEARM
O/N=C/c1ccc(-c2ccc(Br)cc2)o1	ZINC000004502429	567857870	/nfs/dbraw/zinc/85/78/70/567857870.db2.gz	YYEWUCQKHVBSBC-NTUHNPAUSA-N	-1	0	266.094	3.517	50	30		CHEARM
Cc1ccc(C(=O)/C=C/c2ccccc2C(=O)[O-])cc1	ZINC000004393407	567864218	/nfs/dbraw/zinc/86/42/18/567864218.db2.gz	FGINXCUZNGFVPS-ZHACJKMWSA-N	-1	0	266.296	3.589	50	30		CHEARM
CC(C)(C)c1cc(C(=O)NCC(=O)[O-])cc(C(C)(C)C)c1	ZINC000082067915	567906898	/nfs/dbraw/zinc/90/68/98/567906898.db2.gz	LYDDESPZWKSDRY-UHFFFAOYSA-N	-1	0	291.391	3.671	50	30		CHEARM
COC(=O)N=c1[n-]nc(-c2ccc(C(C)(C)C)cc2)s1	ZINC000017209257	567935097	/nfs/dbraw/zinc/93/50/97/567935097.db2.gz	WNZFYOYGBODKMI-UHFFFAOYSA-N	-1	0	291.376	3.695	50	30		CHEARM
O=C([O-])CCCCCCCCC#CBr	ZINC000003129782	567937979	/nfs/dbraw/zinc/93/79/79/567937979.db2.gz	QLHALQHHPFSYOE-UHFFFAOYSA-N	-1	0	261.159	3.548	50	30		CHEARM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1	ZINC000222323636	959812839	/nfs/dbraw/zinc/81/28/39/959812839.db2.gz	WABKVKIQVDGCKC-DAXSKMNVSA-N	-1	0	288.249	3.559	50	30		CHEARM
CCCCCCCCCCCC(=O)N[C@H](CC)C(=O)[O-]	ZINC000091297097	180124736	/nfs/dbraw/zinc/12/47/36/180124736.db2.gz	RSLJJRNCGLGZLT-CQSZACIVSA-N	-1	0	285.428	3.887	50	30		CHEARM
O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1[O-]	ZINC000003897185	566843562	/nfs/dbraw/zinc/84/35/62/566843562.db2.gz	ZKBILMWSVPPRAT-JXMROGBWSA-N	-1	0	258.704	3.942	50	30	biogenic	CHEARM
CC(C)(C#N)c1ccc(-c2cccc(CC(=O)[O-])c2)cc1	ZINC000534661251	566855538	/nfs/dbraw/zinc/85/55/38/566855538.db2.gz	OEVCIONRNARFFD-UHFFFAOYSA-N	-1	0	279.339	3.782	50	30		CHEARM
O=[N+]([O-])c1cccc(/C=N/c2ccccc2Cl)c1[O-]	ZINC000027474004	567074862	/nfs/dbraw/zinc/07/48/62/567074862.db2.gz	RRQFPWBEJXXBEI-OVCLIPMQSA-N	-1	0	276.679	3.704	50	30		CHEARM
CC(=O)Nc1ccc([O-])c(C(=O)/C=C/c2ccccc2C)c1	ZINC000032502246	567193239	/nfs/dbraw/zinc/19/32/39/567193239.db2.gz	YIKYRSPMJPYNHV-VQHVLOKHSA-N	-1	0	295.338	3.555	50	30		CHEARM
O=[P@@]([O-])(O)CCCCCCCCCCCS	ZINC000095100012	567909121	/nfs/dbraw/zinc/90/91/21/567909121.db2.gz	VXLGFBKKMPMGST-UHFFFAOYSA-N	-1	0	268.359	3.605	50	30		CHEARM
O=C([O-])c1ccccc1NN=Cc1c(F)cccc1Cl	ZINC000011903709	567928538	/nfs/dbraw/zinc/92/85/38/567928538.db2.gz	VWPUQJDRLHEPKR-CAOOACKPSA-N	-1	0	292.697	3.623	50	30		CHEARM
Cc1ccc(N=Cc2cc([N+](=O)[O-])cc(C)c2[O-])cc1C	ZINC000252591367	570376013	/nfs/dbraw/zinc/37/60/13/570376013.db2.gz	BAOJBIZUCHPLAK-UHFFFAOYSA-N	-1	0	284.315	3.976	50	30		CHEARM
CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000101147854	1128160678	/nfs/dbraw/zinc/16/06/78/1128160678.db2.gz	DCPYXGMLIRLWSP-XQRVVYSFSA-N	-1	0	296.182	3.876	50	30		CHEARM
Cc1[nH]c2ccccc2c1/C=N/c1ccccc1C(=O)[O-]	ZINC000000384137	169625572	/nfs/dbraw/zinc/62/55/72/169625572.db2.gz	JEAALJMGZKUELG-VCHYOVAHSA-N	-1	0	278.311	3.925	50	30		CHEARM
Fc1ccc(CN=C([S-])N=Nc2ccccc2)cc1	ZINC000005483169	170103848	/nfs/dbraw/zinc/10/38/48/170103848.db2.gz	BZQLHJWPPHJCHG-MHWRWJLKSA-N	-1	0	273.336	3.558	50	30		CHEARM
N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc2ccccc2o1	ZINC000054734714	526507803	/nfs/dbraw/zinc/50/78/03/526507803.db2.gz	MQDQMJXTQXHJSX-SNVBAGLBSA-N	-1	0	298.248	3.596	50	30		CHEARM
C=CCn1c(COc2ccc(Cl)cc2C)n[nH]c1=S	ZINC000000502603	566899475	/nfs/dbraw/zinc/89/94/75/566899475.db2.gz	NBZQHSIMJLTMAX-UHFFFAOYSA-N	-1	0	295.795	3.668	50	30		CHEARM
Cc1ccc(C)c(N=Cc2cc(C)cc([N+](=O)[O-])c2[O-])c1	ZINC000252621090	567067997	/nfs/dbraw/zinc/06/79/97/567067997.db2.gz	MSPDBHNIIXHEFV-UHFFFAOYSA-N	-1	0	284.315	3.976	50	30		CHEARM
N#Cc1c2c(sc1/N=C/c1ccccc1O)CCC2	ZINC000000130792	567819432	/nfs/dbraw/zinc/81/94/32/567819432.db2.gz	VIQITHIKIUQQSE-RQZCQDPDSA-N	-1	0	268.341	3.565	50	30		CHEARM
COc1ccc(/C=C/C(=O)c2cccc(Cl)c2[O-])cc1	ZINC000004252513	567856382	/nfs/dbraw/zinc/85/63/82/567856382.db2.gz	GXTLVZFVBHRTIZ-JXMROGBWSA-N	-1	0	288.730	3.950	50	30		CHEARM
CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(C(=O)[O-])cc1	ZINC000019954908	567880026	/nfs/dbraw/zinc/88/00/26/567880026.db2.gz	GCIQGRJUNBKOFR-ACCUITESSA-N	-1	0	295.338	3.892	50	30		CHEARM
O=C(/C=C/c1ccccc1O)c1ccccc1OC(F)F	ZINC000051330027	567944617	/nfs/dbraw/zinc/94/46/17/567944617.db2.gz	ZKEOKRAAYOUXDW-MDZDMXLPSA-N	-1	0	290.265	3.890	50	30		CHEARM
C=C1C(=NNc2cc(C)ccc2C)C(=O)N=C([O-])C1C#N	ZINC000253531469	570387195	/nfs/dbraw/zinc/38/71/95/570387195.db2.gz	UKDSRWADNCQVLT-UHFFFAOYSA-N	-1	0	282.303	3.705	50	30		CHEARM
O=C1c2ccccc2CC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000034872065	1121039587	/nfs/dbraw/zinc/03/95/87/1121039587.db2.gz	DEOMORNBLLGJQR-UKTHLTGXSA-N	-1	0	295.294	3.513	50	30		CHEARM
O=C([O-])c1ccc(NN=Cc2c(F)cccc2Cl)cc1	ZINC000003909601	169924247	/nfs/dbraw/zinc/92/42/47/169924247.db2.gz	KKQXUBPTMRQPBW-CAOOACKPSA-N	-1	0	292.697	3.623	50	30		CHEARM
O=C([O-])c1ccccc1/N=C/c1c(O)ccc2ccccc21	ZINC000004738063	170008225	/nfs/dbraw/zinc/00/82/25/170008225.db2.gz	QDRLBGYTPRZOPP-YBFXNURJSA-N	-1	0	291.306	3.994	50	30		CHEARM
Cc1ccc(-c2cc(-c3ccccc3)[n-]c(=O)c2C#N)cc1	ZINC000006665786	170223967	/nfs/dbraw/zinc/22/39/67/170223967.db2.gz	ZUGMDNKBCFSSOW-UHFFFAOYSA-N	-1	0	286.334	3.889	50	30		CHEARM
Fc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1	ZINC000001299371	326794064	/nfs/dbraw/zinc/79/40/64/326794064.db2.gz	BQXZWCHKNUPJFM-LICLKQGHSA-N	-1	0	298.346	3.629	50	30		CHEARM
COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c([O-])c1	ZINC000004038634	566856290	/nfs/dbraw/zinc/85/62/90/566856290.db2.gz	RJXHSDFJYBWDGV-JXMROGBWSA-N	-1	0	268.312	3.605	50	30	biogenic	CHEARM
Cc1ccc(N=Cc2cc([N+](=O)[O-])cc(C)c2[O-])c(C)c1	ZINC000252621786	567067221	/nfs/dbraw/zinc/06/72/21/567067221.db2.gz	NGUCZPJIMCCELT-UHFFFAOYSA-N	-1	0	284.315	3.976	50	30		CHEARM
CCCCCCCCCCCC(=O)N[C@@H](CC)C(=O)[O-]	ZINC000100951866	567939540	/nfs/dbraw/zinc/93/95/40/567939540.db2.gz	RSLJJRNCGLGZLT-AWEZNQCLSA-N	-1	0	285.428	3.887	50	30		CHEARM
O=[P@@]([O-])(O)CCCCCCCCCCCCS	ZINC000039337622	570234866	/nfs/dbraw/zinc/23/48/66/570234866.db2.gz	PVIUMTORLYKRJT-UHFFFAOYSA-N	-1	0	282.386	3.995	50	30		CHEARM
N#CC(C(=O)c1ccc(Cl)cc1)=C([O-])c1cccs1	ZINC000103259709	570286734	/nfs/dbraw/zinc/28/67/34/570286734.db2.gz	MINIPQYOOVWMBP-NSHDSACASA-N	-1	0	289.743	3.607	50	30		CHEARM
COc1cc(C)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000013272955	1119903118	/nfs/dbraw/zinc/90/31/18/1119903118.db2.gz	VQFDADVGUVRVFH-UXBLZVDNSA-N	-1	0	296.322	3.598	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC2=CCCCC2)c1	ZINC000096316624	256889081	/nfs/dbraw/zinc/88/90/81/256889081.db2.gz	UKVHUODJGAVVAA-LFIBNONCSA-N	-1	0	274.320	3.610	50	30		CHEARM
Cc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1	ZINC000004939516	170042846	/nfs/dbraw/zinc/04/28/46/170042846.db2.gz	YGHOPZJDQCVZTO-SOFGYWHQSA-N	-1	0	256.276	3.736	50	30		CHEARM
COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c([O-])c1	ZINC000004955172	170045063	/nfs/dbraw/zinc/04/50/63/170045063.db2.gz	PSHLSUYKYJMBFH-RUDMXATFSA-N	-1	0	288.730	3.950	50	30	biogenic	CHEARM
CC(C)c1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000005529472	170109612	/nfs/dbraw/zinc/10/96/12/170109612.db2.gz	ZGNHQEHSPFTQOL-WOJGMQOQSA-N	-1	0	282.343	3.954	50	30		CHEARM
N#CC(=C([O-])c1cccs1)c1nc2ccccc2s1	ZINC000005777623	170139602	/nfs/dbraw/zinc/13/96/02/170139602.db2.gz	IJMRNDDBLQYSHL-SECBINFHSA-N	-1	0	284.365	3.848	50	30		CHEARM
CC(C)(c1ccccc1)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000006293997	170189004	/nfs/dbraw/zinc/18/90/04/170189004.db2.gz	PIVRCERTYIWPIP-UHFFFAOYSA-N	-1	0	292.334	3.856	50	30		CHEARM
C=C1C(=NNc2c(C)cccc2C)C(=O)N=C([O-])C1C#N	ZINC000096316469	567140348	/nfs/dbraw/zinc/14/03/48/567140348.db2.gz	SOTDPYFZRGOZKZ-VHEBQXMUSA-N	-1	0	282.303	3.705	50	30		CHEARM
Cc1cccc(C)c1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000002065324	567844524	/nfs/dbraw/zinc/84/45/24/567844524.db2.gz	WCCXIUFTQLFKKU-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1Oc1ccccc1Cl	ZINC000015987557	567871844	/nfs/dbraw/zinc/87/18/44/567871844.db2.gz	YBOPKSXAQGYWPU-OVCLIPMQSA-N	-1	0	292.678	3.849	50	30		CHEARM
Oc1ccccc1/C=N/Cc1cccc(Br)c1	ZINC000057411783	567901096	/nfs/dbraw/zinc/90/10/96/567901096.db2.gz	NQWOOLZOGTVVAI-MHWRWJLKSA-N	-1	0	290.160	3.774	50	30		CHEARM
CCc1ccc(C(=O)C(C#N)=C([O-])c2ccc(C)s2)cc1	ZINC000102763747	567942137	/nfs/dbraw/zinc/94/21/37/567942137.db2.gz	DTVQQFBBIZAEIO-AWEZNQCLSA-N	-1	0	297.379	3.824	50	30		CHEARM
[O-]c1c(Cl)cc(Cl)cc1C=NNc1ccncc1	ZINC000006403074	170198706	/nfs/dbraw/zinc/19/87/06/170198706.db2.gz	WSCJSGBFIRHSJY-FRKPEAEDSA-N	-1	0	282.130	3.540	50	30		CHEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1SCc1ccccc1	ZINC000008672012	170344716	/nfs/dbraw/zinc/34/47/16/170344716.db2.gz	CETBIGPNTSZNJQ-OQLLNIDSSA-N	-1	0	288.328	3.695	50	30		CHEARM
O=C1c2ccccc2S/C1=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000013765723	326841781	/nfs/dbraw/zinc/84/17/81/326841781.db2.gz	RWEYFEARYCGCLM-JYRVWZFOSA-N	-1	0	299.307	3.630	50	30		CHEARM
CCCCCCC#CC#Cc1cccc(C(=O)[O-])c1	ZINC000098045061	528113496	/nfs/dbraw/zinc/11/34/96/528113496.db2.gz	DWUVRQONHAOUPT-UHFFFAOYSA-N	-1	0	254.329	3.710	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc3cccnc32)c1	ZINC000254342182	566923262	/nfs/dbraw/zinc/92/32/62/566923262.db2.gz	HTTIIADQECIAKC-UHFFFAOYSA-N	-1	0	293.282	3.599	50	30		CHEARM
Cc1ncsc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000078984941	566943294	/nfs/dbraw/zinc/94/32/94/566943294.db2.gz	ACGGTLBZYZGUJK-VIFPVBQESA-N	-1	0	291.401	3.522	50	30		CHEARM
CC(=NO)c1ccc(NC(=O)Nc2ccccc2)cc1	ZINC000312104507	567041438	/nfs/dbraw/zinc/04/14/38/567041438.db2.gz	MNFHPLAACXQPQT-UHFFFAOYSA-N	-1	0	269.304	3.529	50	30		CHEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2)cc1	ZINC000254791665	567159904	/nfs/dbraw/zinc/15/99/04/567159904.db2.gz	PCTAYKUKFPGSOI-UHFFFAOYSA-N	-1	0	294.383	3.798	50	30		CHEARM
Fc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001307146	567836752	/nfs/dbraw/zinc/83/67/52/567836752.db2.gz	HRZQDFFFRVKSRI-LICLKQGHSA-N	-1	0	298.346	3.629	50	30		CHEARM
O=C(C=C([O-])C(F)(F)F)c1ccc(Cl)cc1	ZINC000100408657	567913203	/nfs/dbraw/zinc/91/32/03/567913203.db2.gz	LJCDFICWKKEBQR-UITAMQMPSA-N	-1	0	250.603	3.527	50	30		CHEARM
Cc1cc(C)c(C(=O)C=C([O-])C(F)(F)F)c(C)c1	ZINC000100488894	567913289	/nfs/dbraw/zinc/91/32/89/567913289.db2.gz	YUOPRYHQKDDFKZ-WDZFZDKYSA-N	-1	0	258.239	3.799	50	30		CHEARM
CC(C)[C@H](C)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000100685371	567913679	/nfs/dbraw/zinc/91/36/79/567913679.db2.gz	MNTFGPTUJSZCLY-SNVBAGLBSA-N	-1	0	258.317	3.560	50	30		CHEARM
CC(C)Oc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000011905640	570221032	/nfs/dbraw/zinc/22/10/32/570221032.db2.gz	CEMNPFCKYQTCBW-WOJGMQOQSA-N	-1	0	298.342	3.618	50	30		CHEARM
N#C[C@@H](CC(=O)[O-])[C@@H](Cc1ccccc1)c1ccccc1	ZINC000004673194	570247879	/nfs/dbraw/zinc/24/78/79/570247879.db2.gz	NZQVHSSRRPRSOJ-SJORKVTESA-N	-1	0	279.339	3.627	50	30		CHEARM
O=[N+]([O-])c1ccc(/N=C/c2ccccc2Cl)c([O-])c1	ZINC000100456082	570258883	/nfs/dbraw/zinc/25/88/83/570258883.db2.gz	XNGYLXVELCXOFG-OVCLIPMQSA-N	-1	0	276.679	3.704	50	30		CHEARM
Cc1ccc(-c2cc(-c3cccs3)c(C#N)c(=O)[n-]2)cc1	ZINC000000131419	570386860	/nfs/dbraw/zinc/38/68/60/570386860.db2.gz	YRMBCFFYIXHJIH-UHFFFAOYSA-N	-1	0	292.363	3.951	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C	ZINC000082067014	1126755161	/nfs/dbraw/zinc/75/51/61/1126755161.db2.gz	ACEZIHLILGACBG-INIZCTEOSA-N	-1	0	298.386	3.915	50	30		CHEARM
O=CC1=C([O-])c2ccccc2[C@H](c2ccccc2)C1	ZINC000003080700	1118110744	/nfs/dbraw/zinc/11/07/44/1118110744.db2.gz	UJAPMEFSGGQZCZ-KVNDZABWSA-N	-1	0	250.297	3.847	50	30		CHEARM
CC1(C)OC(=CC=Nc2ccc(C(=O)[O-])cc2)OC1(C)C	ZINC000254307409	1118135438	/nfs/dbraw/zinc/13/54/38/1118135438.db2.gz	BLQCAASKKVFUAV-UHFFFAOYSA-N	-1	0	289.331	3.533	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(Cl)c2)c1	ZINC000005286757	170083433	/nfs/dbraw/zinc/08/34/33/170083433.db2.gz	RIZSGWHYILYJNE-OVCLIPMQSA-N	-1	0	276.679	3.704	50	30		CHEARM
[O-]/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1	ZINC000006926063	170255813	/nfs/dbraw/zinc/25/58/13/170255813.db2.gz	LTDICTHBQNQUAP-CAOOACKPSA-N	-1	0	279.698	3.866	50	30		CHEARM
O=C([O-])c1ccccc1/C=N/Cc1ccccc1Cl	ZINC000020064316	170981981	/nfs/dbraw/zinc/98/19/81/170981981.db2.gz	AURWPEMEQCTEAC-RQZCQDPDSA-N	-1	0	273.719	3.657	50	30		CHEARM
CCCCCCCCCCCCOS(=O)(=O)[O-]	ZINC000001532179	414745741	/nfs/dbraw/zinc/74/57/41/414745741.db2.gz	MOTZDAYCYVMXPC-UHFFFAOYSA-N	-1	0	266.403	3.727	50	30	fda	CHEARM
CC(N=Nc1ccccc1)N=Nc1ccccc1C(=O)[O-]	ZINC000004582998	566911339	/nfs/dbraw/zinc/91/13/39/566911339.db2.gz	WTWBGQKTTXYPJA-YLUJPUDGSA-N	-1	0	282.303	3.914	50	30		CHEARM
CC(=N\c1cccc(C)c1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000045920348	566977379	/nfs/dbraw/zinc/97/73/79/566977379.db2.gz	YTUPMDLYRJNGGK-FQLPPTMUSA-N	-1	0	295.342	3.556	50	30		CHEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1cccnc1	ZINC000000071755	567817610	/nfs/dbraw/zinc/81/76/10/567817610.db2.gz	VKCQVAXQHGVMMI-OMCISZLKSA-N	-1	0	267.115	3.845	50	30		CHEARM
O=C([O-])/C=C/C(=O)c1ccc(C2CCCCC2)cc1	ZINC000000129045	567819302	/nfs/dbraw/zinc/81/93/02/567819302.db2.gz	YJJOPFUDTMESJU-ZHACJKMWSA-N	-1	0	258.317	3.558	50	30		CHEARM
N#C[C@@H](C(=O)[O-])C1(c2ccc(Cl)s2)CCCCC1	ZINC000000337219	567825451	/nfs/dbraw/zinc/82/54/51/567825451.db2.gz	KEEWFEJJWDLDDI-VIFPVBQESA-N	-1	0	283.780	3.828	50	30		CHEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2[O-])cc1C	ZINC000002056881	567844554	/nfs/dbraw/zinc/84/45/54/567844554.db2.gz	BAOJBIZUCHPLAK-RQZCQDPDSA-N	-1	0	284.315	3.976	50	30		CHEARM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000065349674	567897199	/nfs/dbraw/zinc/89/71/99/567897199.db2.gz	AFHPJWJSDUYNJK-UHFFFAOYSA-N	-1	0	257.676	3.577	50	30		CHEARM
Cc1cccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1	ZINC000101609505	567941194	/nfs/dbraw/zinc/94/11/94/567941194.db2.gz	OGHCMNMAFZYZJS-UHFFFAOYSA-N	-1	0	297.402	3.699	50	30		CHEARM
Fc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000005731529	170134849	/nfs/dbraw/zinc/13/48/49/170134849.db2.gz	DIUTUTHBTDGOMB-LICLKQGHSA-N	-1	0	298.346	3.629	50	30		CHEARM
C=CCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1	ZINC000002861642	261290823	/nfs/dbraw/zinc/29/08/23/261290823.db2.gz	YSBKLOYVWAFTSW-UHFFFAOYSA-N	-1	0	283.327	3.562	50	30		CHEARM
N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc2ccccc2o1	ZINC000054734712	526492258	/nfs/dbraw/zinc/49/22/58/526492258.db2.gz	MQDQMJXTQXHJSX-JTQLQIEISA-N	-1	0	298.248	3.596	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCC2=CCCCC2)c1	ZINC000019860561	567121928	/nfs/dbraw/zinc/12/19/28/567121928.db2.gz	UKVHUODJGAVVAA-WJDWOHSUSA-N	-1	0	274.320	3.610	50	30		CHEARM
O=C([O-])CC/C(=N\O)c1ccc2oc3ccccc3c2c1	ZINC000003874285	567854366	/nfs/dbraw/zinc/85/43/66/567854366.db2.gz	ODQJWIMYDRXPBG-GHRIWEEISA-N	-1	0	283.283	3.629	50	30		CHEARM
C=CCOc1ccccc1CNc1ccc(C(=O)[O-])cc1	ZINC000002862381	567937886	/nfs/dbraw/zinc/93/78/86/567937886.db2.gz	DHERCARSIDQEOQ-UHFFFAOYSA-N	-1	0	283.327	3.562	50	30		CHEARM
N#Cc1cccc(Oc2cc(C(=O)[O-])c3ccccc3n2)c1	ZINC000064037981	570392085	/nfs/dbraw/zinc/39/20/85/570392085.db2.gz	OUVKVNDBPGXOIM-UHFFFAOYSA-N	-1	0	290.278	3.597	50	30		CHEARM
CCCCCCCCCCCCNC(=O)/C=C/C(=O)[O-]	ZINC000100999268	185731496	/nfs/dbraw/zinc/73/14/96/185731496.db2.gz	OEWYPDFKPCJYMS-OUKQBFOZSA-N	-1	0	283.412	3.664	50	30		CHEARM
N#C[C@H](CC(=O)[O-])[C@@H](Cc1ccccc1)c1ccccc1	ZINC000004673192	169996755	/nfs/dbraw/zinc/99/67/55/169996755.db2.gz	NZQVHSSRRPRSOJ-IRXDYDNUSA-N	-1	0	279.339	3.627	50	30		CHEARM
CC1(C)OC(=C/C=N/c2ccc(C(=O)[O-])cc2)OC1(C)C	ZINC000004828348	170024851	/nfs/dbraw/zinc/02/48/51/170024851.db2.gz	BLQCAASKKVFUAV-LICLKQGHSA-N	-1	0	289.331	3.533	50	30		CHEARM
O=C1c2ccccc2C(=O)C(c2ccccc2Cl)=C1[O-]	ZINC000006494008	170206354	/nfs/dbraw/zinc/20/63/54/170206354.db2.gz	WVUMSVKCBDPLOM-UHFFFAOYSA-N	-1	0	284.698	3.688	50	30		CHEARM
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(=O)[n-]2)cc1	ZINC000008685849	170345374	/nfs/dbraw/zinc/34/53/74/170345374.db2.gz	DPEBWSHEZJTXLR-UHFFFAOYSA-N	-1	0	278.233	3.653	50	30		CHEARM
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[O-])c1	ZINC000052907780	175540510	/nfs/dbraw/zinc/54/05/10/175540510.db2.gz	UTRMVLSXRKAUQS-UHFFFAOYSA-N	-1	0	273.675	3.702	50	30		CHEARM
C=CCn1c(=S)[nH]nc1C12CC3CC(CC(C3)C1)C2	ZINC000004112618	566888822	/nfs/dbraw/zinc/88/88/22/566888822.db2.gz	OHBBEMCCNREWPO-UHFFFAOYSA-N	-1	0	275.421	3.594	50	30		CHEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1Oc1cccc(Cl)c1	ZINC000015986950	566932693	/nfs/dbraw/zinc/93/26/93/566932693.db2.gz	GEDYBAGAJFJMGV-OVCLIPMQSA-N	-1	0	292.678	3.849	50	30		CHEARM
O=C(/C=C/C=C/c1ccccc1)c1ccccc1[O-]	ZINC000001655687	567840240	/nfs/dbraw/zinc/84/02/40/567840240.db2.gz	DXWDXKXZKZQFAW-PHFXQHTASA-N	-1	0	250.297	3.845	50	30		CHEARM
CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002379436	567845402	/nfs/dbraw/zinc/84/54/02/567845402.db2.gz	OXOZMSCSDJPGHN-LBPRGKRZSA-N	-1	0	287.400	3.715	50	30		CHEARM
O=C([O-])c1cc(/N=C/c2ccc(Cl)s2)ccc1O	ZINC000004627281	567858597	/nfs/dbraw/zinc/85/85/97/567858597.db2.gz	ABANMHNZSHNCDW-MKMNVTDBSA-N	-1	0	281.720	3.556	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C	ZINC000058198754	567895417	/nfs/dbraw/zinc/89/54/17/567895417.db2.gz	ACEZIHLILGACBG-MRXNPFEDSA-N	-1	0	298.386	3.915	50	30		CHEARM
Cc1cc([O-])c(C(=O)/C=C/c2ccc(C(C)C)cc2)c(=O)o1	ZINC000013123202	567929391	/nfs/dbraw/zinc/92/93/91/567929391.db2.gz	LWZLDXSMRRHHGP-RMKNXTFCSA-N	-1	0	298.338	3.673	50	30	biogenic	CHEARM
Cc1cccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])c1	ZINC000000219068	570263654	/nfs/dbraw/zinc/26/36/54/570263654.db2.gz	LYIPPMYZRCRJJZ-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
C=C1C(=NNc2c(C)cccc2C)C(=O)N=C([O-])C1C#N	ZINC000253531579	570387198	/nfs/dbraw/zinc/38/71/98/570387198.db2.gz	SOTDPYFZRGOZKZ-UHFFFAOYSA-N	-1	0	282.303	3.705	50	30		CHEARM
COc1ccc(Sc2ccccc2/C=N/[O-])cc1OC	ZINC000103607708	185852053	/nfs/dbraw/zinc/85/20/53/185852053.db2.gz	FBWBSPYDLPTPQT-MHWRWJLKSA-N	-1	0	289.356	3.663	50	30		CHEARM
C=CCn1c2ccc(C(C)C)cc2c(C)c1C(=O)[O-]	ZINC000107841015	186195419	/nfs/dbraw/zinc/19/54/19/186195419.db2.gz	INIHXSNTDMTVGN-UHFFFAOYSA-N	-1	0	257.333	3.957	50	30		CHEARM
CCCCCCCCOc1cccc(OCC(=O)[O-])c1	ZINC000003169604	169863686	/nfs/dbraw/zinc/86/36/86/169863686.db2.gz	GCDAQFHFCIJEER-UHFFFAOYSA-N	-1	0	280.364	3.889	50	30		CHEARM
O=C([O-])c1ccc(/N=C/c2cc3ccccc3cc2O)cc1	ZINC000004738069	170008462	/nfs/dbraw/zinc/00/84/62/170008462.db2.gz	PPKSEPFUOHVNMS-YBFXNURJSA-N	-1	0	291.306	3.994	50	30		CHEARM
COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000004865535	170032985	/nfs/dbraw/zinc/03/29/85/170032985.db2.gz	RNKUTENPRDOAMH-SOFGYWHQSA-N	-1	0	288.730	3.950	50	30		CHEARM
N#Cc1cc(/C=C/C(=O)[O-])ccc1Sc1ccc(F)cc1	ZINC000035287410	172105273	/nfs/dbraw/zinc/10/52/73/172105273.db2.gz	ZPLBNUQBZLJAMY-KRXBUXKQSA-N	-1	0	299.326	3.946	50	30		CHEARM
O=C1c2ccccc2O/C1=C\c1ccc([O-])c(Cl)c1	ZINC000299738311	329529325	/nfs/dbraw/zinc/52/93/25/329529325.db2.gz	SYZIXDDBJMMCQR-ZSOIEALJSA-N	-1	0	272.687	3.662	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2ccccc2)nc1-c1ccc(F)cc1	ZINC000015923880	566928097	/nfs/dbraw/zinc/92/80/97/566928097.db2.gz	LLMSUJXULUWKCE-UHFFFAOYSA-N	-1	0	291.285	3.527	50	30		CHEARM
CCCCCCCCCCCCS(=O)(=O)[O-]	ZINC000001651926	567840066	/nfs/dbraw/zinc/84/00/66/567840066.db2.gz	LDMOEFOXLIZJOW-UHFFFAOYSA-N	-1	0	250.404	3.795	50	30	in-vivo	CHEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1Sc1ccccc1	ZINC000015923902	567871664	/nfs/dbraw/zinc/87/16/64/567871664.db2.gz	HBLYEIXJMLYLPA-NTEUORMPSA-N	-1	0	274.301	3.554	50	30		CHEARM
CSc1cc(-c2ccc(Cl)cc2)[n-]c(=O)c1C#N	ZINC000013469428	567877009	/nfs/dbraw/zinc/87/70/09/567877009.db2.gz	VJOADGFNWKRPBG-UHFFFAOYSA-N	-1	0	276.748	3.701	50	30		CHEARM
Cc1ccc(N=Cc2cc(C)cc([N+](=O)[O-])c2[O-])c(C)c1	ZINC000252588943	570375743	/nfs/dbraw/zinc/37/57/43/570375743.db2.gz	AGCWPBASAGTEQA-UHFFFAOYSA-N	-1	0	284.315	3.976	50	30		CHEARM
CCc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000032915317	256771732	/nfs/dbraw/zinc/77/17/32/256771732.db2.gz	QENRGZSNQJSIKS-FMIVXFBMSA-N	-1	0	294.350	3.772	50	30		CHEARM
C=CCOc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1C	ZINC000002546413	169806711	/nfs/dbraw/zinc/80/67/11/169806711.db2.gz	DAHYCIASDYTGFG-UHFFFAOYSA-N	-1	0	297.354	3.870	50	30		CHEARM
O=[N+]([O-])c1cccc(/C=N/c2cccc3ncccc23)c1[O-]	ZINC000004737765	170008327	/nfs/dbraw/zinc/00/83/27/170008327.db2.gz	VSPDMZDAKBQDHH-VCHYOVAHSA-N	-1	0	293.282	3.599	50	30		CHEARM
O=C([O-])c1ccccc1/N=C/c1ccccc1Cl	ZINC000005678792	170127629	/nfs/dbraw/zinc/12/76/29/170127629.db2.gz	YBTFPRVPEDKABZ-CXUHLZMHSA-N	-1	0	259.692	3.789	50	30		CHEARM
CC(C)c1nnc(NC(=O)c2ccc([O-])c(Cl)c2)s1	ZINC000024924451	171443865	/nfs/dbraw/zinc/44/38/65/171443865.db2.gz	NUUQSVSSPBGFET-UHFFFAOYSA-N	-1	0	297.767	3.657	50	30		CHEARM
CSC(=S)[N-]c1sc2c(c1C#N)CCCC2	ZINC000071328550	176123805	/nfs/dbraw/zinc/12/38/05/176123805.db2.gz	TUVSFWHUXDMQHO-UHFFFAOYSA-N	-1	0	268.432	3.558	50	30		CHEARM
CC(C)(Cl)CCC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000004552425	566912396	/nfs/dbraw/zinc/91/23/96/566912396.db2.gz	LCFLGWZKXXTHJO-UHFFFAOYSA-N	-1	0	278.735	3.675	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2Cl)c1	ZINC000000061089	567817396	/nfs/dbraw/zinc/81/73/96/567817396.db2.gz	YZCQQNICPSCESH-OVCLIPMQSA-N	-1	0	276.679	3.704	50	30		CHEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(C)c1	ZINC000000100627	567818171	/nfs/dbraw/zinc/81/81/71/567818171.db2.gz	SPZHPDCPKBHYIR-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc3ncccc23)c1	ZINC000000244245	567823018	/nfs/dbraw/zinc/82/30/18/567823018.db2.gz	ZTJJRSBYMLJRGS-VCHYOVAHSA-N	-1	0	293.282	3.599	50	30		CHEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1Oc1ccc(Cl)cc1	ZINC000100468215	567913317	/nfs/dbraw/zinc/91/33/17/567913317.db2.gz	YLNZFESKUMZQTK-OVCLIPMQSA-N	-1	0	292.678	3.849	50	30		CHEARM
Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)[O-])cc2)n1	ZINC000000547131	567943027	/nfs/dbraw/zinc/94/30/27/567943027.db2.gz	OEEKWSIWANIIHO-UHFFFAOYSA-N	-1	0	298.367	3.561	50	30		CHEARM
COc1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000004532314	570334496	/nfs/dbraw/zinc/33/44/96/570334496.db2.gz	WGKASIDCKLLXKI-YWEYNIOJSA-N	-1	0	288.730	3.950	50	30		CHEARM
C=CCSc1nc(=O)c2sc3ccccc3c2[n-]1	ZINC000008781814	170355639	/nfs/dbraw/zinc/35/56/39/170355639.db2.gz	WQIDWIVDERFOEE-UHFFFAOYSA-N	-1	0	274.370	3.828	50	30		CHEARM
CCCCCCCC(=O)Oc1ccc(C(=O)[O-])cc1	ZINC000003203258	519965922	/nfs/dbraw/zinc/96/59/22/519965922.db2.gz	ZRPGHOSDOLNSCX-UHFFFAOYSA-N	-1	0	264.321	3.651	50	30	biogenic	CHEARM
O=C1c2ccccc2C(=O)C1=C([O-])C=Cc1ccc(F)cc1	ZINC000002272768	567073102	/nfs/dbraw/zinc/07/31/02/567073102.db2.gz	AJIAINSFFLMMPD-JXMROGBWSA-N	-1	0	294.281	3.574	50	30		CHEARM
CC(=O)Nc1ccc([O-])c(C(=O)/C=C/c2ccc(C)cc2)c1	ZINC000032502234	567192728	/nfs/dbraw/zinc/19/27/28/567192728.db2.gz	TVVCQUAOCASYMW-VQHVLOKHSA-N	-1	0	295.338	3.555	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Cl)cc2)c1	ZINC000000061237	567817436	/nfs/dbraw/zinc/81/74/36/567817436.db2.gz	SJWJEXXYMFEKIG-OVCLIPMQSA-N	-1	0	276.679	3.704	50	30		CHEARM
Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1	ZINC000252628422	567930331	/nfs/dbraw/zinc/93/03/31/567930331.db2.gz	SPZHPDCPKBHYIR-UHFFFAOYSA-N	-1	0	270.288	3.668	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2cccs2)cc1-c1ccccc1	ZINC000000107653	567931965	/nfs/dbraw/zinc/93/19/65/567931965.db2.gz	PVNKULXURXGWSB-UHFFFAOYSA-N	-1	0	278.336	3.642	50	30		CHEARM
C=CCOc1ccccc1CNc1cccc(C(=O)[O-])c1	ZINC000002861952	604787976	/nfs/dbraw/zinc/78/79/76/604787976.db2.gz	YXRJAXQNYIZXAH-UHFFFAOYSA-N	-1	0	283.327	3.562	50	30		CHEARM
ON=Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000249989865	1127413456	/nfs/dbraw/zinc/41/34/56/1127413456.db2.gz	KTAKHMWXBCARFS-UHFFFAOYSA-N	-1	0	261.708	3.727	50	30		CHEARM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1	ZINC000004699189	170000967	/nfs/dbraw/zinc/00/09/67/170000967.db2.gz	OASADJUAJSHSLF-ATVHPVEESA-N	-1	0	268.316	3.529	50	30		CHEARM
O=C(/C=C/c1ccccc1)c1cc(Cl)ccc1[O-]	ZINC000004871697	170034840	/nfs/dbraw/zinc/03/48/40/170034840.db2.gz	GVKYSLWFMZCXBQ-SOFGYWHQSA-N	-1	0	258.704	3.942	50	30		CHEARM
O=C(/C=C/c1ccccn1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000004996108	170051878	/nfs/dbraw/zinc/05/18/78/170051878.db2.gz	XYDGLNDCTUQBAE-SNAWJCMRSA-N	-1	0	294.137	3.990	50	30		CHEARM
Cc1cccc(-c2cc(-c3cccs3)[n-]c(=O)c2C#N)c1	ZINC000013920231	567021889	/nfs/dbraw/zinc/02/18/89/567021889.db2.gz	BLNQFEQQNDGHHW-UHFFFAOYSA-N	-1	0	292.363	3.951	50	30		CHEARM
N#C[C@H](C(=O)[O-])C1(c2ccc(Cl)s2)CCCCC1	ZINC000000337220	567825480	/nfs/dbraw/zinc/82/54/80/567825480.db2.gz	KEEWFEJJWDLDDI-SECBINFHSA-N	-1	0	283.780	3.828	50	30		CHEARM
CC1(C)CC(=O)C(Sc2ccc([N+](=O)[O-])cc2)=C([O-])C1	ZINC000004247205	567856427	/nfs/dbraw/zinc/85/64/27/567856427.db2.gz	CFLVKVIVCOPQQL-UHFFFAOYSA-N	-1	0	293.344	3.846	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccccc2Cl)c1	ZINC000252641077	567930242	/nfs/dbraw/zinc/93/02/42/567930242.db2.gz	YZCQQNICPSCESH-UHFFFAOYSA-N	-1	0	276.679	3.704	50	30		CHEARM
O=C(C=C([O-])C(F)(F)F)c1ccc(Br)cc1	ZINC000018166828	567940117	/nfs/dbraw/zinc/94/01/17/567940117.db2.gz	DZGSHCDYLCYXIT-UITAMQMPSA-N	-1	0	295.054	3.636	50	30		CHEARM
O=C([O-])c1ccccc1C(=O)/C=C/c1ccc(Cl)cc1	ZINC000012249663	570301314	/nfs/dbraw/zinc/30/13/14/570301314.db2.gz	HYKSOLYMHHFFIP-JXMROGBWSA-N	-1	0	286.714	3.934	50	30		CHEARM
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[O-])c1	ZINC000052859220	600267503	/nfs/dbraw/zinc/26/75/03/600267503.db2.gz	HDWIYYARUFAODH-UHFFFAOYSA-N	-1	0	273.675	3.702	50	30		CHEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1nccs1	ZINC000095919520	185031815	/nfs/dbraw/zinc/03/18/15/185031815.db2.gz	RRAFJUHCKWCFLN-LHHJGKSTSA-N	-1	0	273.144	3.906	50	30		CHEARM
CC(=CC(=O)c1ccc(C)o1)Nc1ccc(C(=O)[O-])cc1C	ZINC000020352110	256798543	/nfs/dbraw/zinc/79/85/43/256798543.db2.gz	FREFSOFNVOFSET-PKNBQFBNSA-N	-1	0	299.326	3.793	50	30		CHEARM
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C([O-])C1	ZINC000004009952	169929113	/nfs/dbraw/zinc/92/91/13/169929113.db2.gz	JKWMXQKWKISRFA-UHFFFAOYSA-N	-1	0	275.373	3.627	50	30		CHEARM
N#CC=C([O-])c1sc2cc(F)ccc2c1Cl	ZINC000016159222	566914654	/nfs/dbraw/zinc/91/46/54/566914654.db2.gz	BVLNVNVVZGCJRO-UHFFFAOYSA-N	-1	0	253.685	3.790	50	30		CHEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccccc1	ZINC000001242839	567836480	/nfs/dbraw/zinc/83/64/80/567836480.db2.gz	GVAFEYZTHREACJ-LFIBNONCSA-N	-1	0	286.404	3.871	50	30		CHEARM
CCc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000001258199	567836890	/nfs/dbraw/zinc/83/68/90/567836890.db2.gz	JMIFWPRSBKDXHO-MHWRWJLKSA-N	-1	0	298.371	3.645	50	30		CHEARM
O=C([O-])Cc1ccc(/N=C/c2ccc(Cl)cc2)cc1	ZINC000002546383	567848189	/nfs/dbraw/zinc/84/81/89/567848189.db2.gz	WUEGUGCSLSGWGY-LICLKQGHSA-N	-1	0	273.719	3.718	50	30		CHEARM
Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1cccs1	ZINC000002853036	567849770	/nfs/dbraw/zinc/84/97/70/567849770.db2.gz	MMMCYEZRCVFMOQ-VOTSOKGWSA-N	-1	0	287.340	3.563	50	30		CHEARM
Cc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1	ZINC000017180690	567875370	/nfs/dbraw/zinc/87/53/70/567875370.db2.gz	FGAVFMDVTVQQLO-GZTJUZNOSA-N	-1	0	294.383	3.798	50	30		CHEARM
COc1cc(O)c(/C=C/C(=O)c2ccccc2)cc1Cl	ZINC000095100014	567909179	/nfs/dbraw/zinc/90/91/79/567909179.db2.gz	JCCFYMHRHOHHJE-BQYQJAHWSA-N	-1	0	288.730	3.950	50	30		CHEARM
CC(C)c1ccc(Nc2s[n-]c(=O)c2C#N)cc1	ZINC000000076548	570273089	/nfs/dbraw/zinc/27/30/89/570273089.db2.gz	UOSOWCFVNSEHJO-UHFFFAOYSA-N	-1	0	259.334	3.587	50	30		CHEARM
Cc1cc(C)cc(C(=O)C(C#N)=C([O-])c2cccs2)c1	ZINC000103259753	570286893	/nfs/dbraw/zinc/28/68/93/570286893.db2.gz	ITYZVKAGCRFITH-CYBMUJFWSA-N	-1	0	283.352	3.570	50	30		CHEARM
Cc1cc(Cl)cc(C([O-])=C(C#N)c2nc(C)cc(C)n2)c1	ZINC000121488143	570347588	/nfs/dbraw/zinc/34/75/88/570347588.db2.gz	VCQPVIKQJYZNLE-AWEZNQCLSA-N	-1	0	299.761	3.545	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2ccccc2)cc1-c1cccs1	ZINC000000157406	570386828	/nfs/dbraw/zinc/38/68/28/570386828.db2.gz	BXXROIDYNDJFMR-UHFFFAOYSA-N	-1	0	278.336	3.642	50	30		CHEARM
Cc1cccc(C)c1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000252633312	1128759807	/nfs/dbraw/zinc/75/98/07/1128759807.db2.gz	WCCXIUFTQLFKKU-UHFFFAOYSA-N	-1	0	270.288	3.668	50	30		CHEARM
CC1C=C(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000252512663	567062000	/nfs/dbraw/zinc/06/20/00/567062000.db2.gz	UJGOJRKFTFKPTK-UHFFFAOYSA-N	-1	0	264.712	3.546	50	30		CHEARM
Cc1cc(/N=C/c2cc(Cl)cc(Cl)c2[O-])no1	ZINC000000098637	567818324	/nfs/dbraw/zinc/81/83/24/567818324.db2.gz	XCUJGLTVYMOHQD-LHHJGKSTSA-N	-1	0	271.103	3.746	50	30		CHEARM
CCCCNc1c2ccccc2oc(=O)c1/N=C(\C)[O-]	ZINC000013496181	567890330	/nfs/dbraw/zinc/89/03/30/567890330.db2.gz	OKXFXLKJJJCSHB-UHFFFAOYSA-N	-1	0	274.320	3.613	50	30		CHEARM
COc1ccc([C@@H](C)/N=C/c2ccccc2O)cc1	ZINC000057411865	567900917	/nfs/dbraw/zinc/90/09/17/567900917.db2.gz	FZPWOAXJSZHEHP-PBSOMRJOSA-N	-1	0	255.317	3.581	50	30		CHEARM
Cc1cc(Cl)cc(C([O-])=C(C#N)c2nc(C)cc(C)n2)c1	ZINC000121487987	570347681	/nfs/dbraw/zinc/34/76/81/570347681.db2.gz	VCQPVIKQJYZNLE-CQSZACIVSA-N	-1	0	299.761	3.545	50	30		CHEARM
CC(C)Oc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000254399859	605097591	/nfs/dbraw/zinc/09/75/91/605097591.db2.gz	KHFMMZVRXNXESX-UHFFFAOYSA-N	-1	0	298.342	3.618	50	30		CHEARM
COc1ccccc1CC=CN=Nc1cccc(C(=O)[O-])c1	ZINC000606346808	1121665829	/nfs/dbraw/zinc/66/58/29/1121665829.db2.gz	MIPSDEMGODMHGP-BPNKNNACSA-N	-1	0	296.326	3.505	50	30		CHEARM
O=C([O-])c1cccc(/N=C/c2ccc3ccccc3n2)c1	ZINC000000546406	169666006	/nfs/dbraw/zinc/66/60/06/169666006.db2.gz	BRIZINBPFJDBNT-WOJGMQOQSA-N	-1	0	276.295	3.684	50	30		CHEARM
N#Cc1ccc(CSCc2ccc(C(=O)[O-])cc2)cc1	ZINC000008848155	170357506	/nfs/dbraw/zinc/35/75/06/170357506.db2.gz	WAVLYGALZJXCTI-UHFFFAOYSA-N	-1	0	283.352	3.690	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2ccc(Cl)cc2)cc1C(F)(F)F	ZINC000004023432	567185807	/nfs/dbraw/zinc/18/58/07/567185807.db2.gz	GCYUFUYBMMTSDV-UHFFFAOYSA-N	-1	0	298.651	3.998	50	30		CHEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1C	ZINC000000121110	567818704	/nfs/dbraw/zinc/81/87/04/567818704.db2.gz	DPODLIJMMLESBA-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
O=C1c2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000013614705	567866897	/nfs/dbraw/zinc/86/68/97/567866897.db2.gz	PENIBPKELSMGQC-RIYZIHGNSA-N	-1	0	299.307	3.630	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2ccc(C)cc2)s1	ZINC000100871549	567939041	/nfs/dbraw/zinc/93/90/41/567939041.db2.gz	UKSOGFCFDVVLTA-CYBMUJFWSA-N	-1	0	283.352	3.570	50	30		CHEARM
O=C1c2ccccc2C([O-])=C1c1ccc2ccccc2n1	ZINC000003848530	570400513	/nfs/dbraw/zinc/40/05/13/570400513.db2.gz	YHBPQYQLMJZJPI-UHFFFAOYSA-N	-1	0	273.291	3.857	50	30		CHEARM
C=CC[Si](CC=C)(CC=C)C[C@H]1C[C@@H]1C(=O)[O-]	ZINC000198088004	1123648913	/nfs/dbraw/zinc/64/89/13/1123648913.db2.gz	PRPQNQPEIJSRIQ-OLZOCXBDSA-N	-1	0	250.414	3.714	50	30		CHEARM
C=CCOc1cccc(CNc2cccc(C(=O)[O-])c2)c1	ZINC000002860863	1125432996	/nfs/dbraw/zinc/43/29/96/1125432996.db2.gz	VNJJEXTXMATMPQ-UHFFFAOYSA-N	-1	0	283.327	3.562	50	30		CHEARM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)s1	ZINC000096920058	185129782	/nfs/dbraw/zinc/12/97/82/185129782.db2.gz	NQJJIAUFVJVNAV-RQOWECAXSA-N	-1	0	294.278	3.621	50	30		CHEARM
C=CCn1c(=O)c2c([n-]c1=S)sc1c2CC[C@H](C)C1	ZINC000238937471	131079417	/nfs/dbraw/zinc/07/94/17/131079417.db2.gz	VSKACNLYNLLUHR-QMMMGPOBSA-N	-1	0	292.429	3.844	50	30		CHEARM
CCc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005288600	170083343	/nfs/dbraw/zinc/08/33/43/170083343.db2.gz	NSRFHBYMSZZJFQ-MHWRWJLKSA-N	-1	0	270.288	3.613	50	30		CHEARM
CCc1n[n-]c(=S)n1N=Cc1cccc2ccccc12	ZINC000006519868	170208839	/nfs/dbraw/zinc/20/88/39/170208839.db2.gz	WKQZZWCJNCETGI-MHWRWJLKSA-N	-1	0	282.372	3.538	50	30		CHEARM
CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(=O)[n-]1	ZINC000007995210	170312608	/nfs/dbraw/zinc/31/26/08/170312608.db2.gz	PGBIDGBOMNRAIF-UHFFFAOYSA-N	-1	0	299.399	3.740	50	30		CHEARM
COc1ccc(-c2ccc(C(C)(C)C#N)cc2)c(C(=O)[O-])c1	ZINC000534667444	328345844	/nfs/dbraw/zinc/34/58/44/328345844.db2.gz	PBZWXBVUBZURHW-UHFFFAOYSA-N	-1	0	295.338	3.862	50	30		CHEARM
O=C1c2ccccc2S/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000036075321	566994980	/nfs/dbraw/zinc/99/49/80/566994980.db2.gz	PENIBPKELSMGQC-ZSOIEALJSA-N	-1	0	299.307	3.630	50	30		CHEARM
N#Cc1ccccc1CSc1ccccc1C(=O)[O-]	ZINC000012978279	567115599	/nfs/dbraw/zinc/11/55/99/567115599.db2.gz	OEUYXCOOIDPEBF-UHFFFAOYSA-N	-1	0	269.325	3.549	50	30		CHEARM
COc1ccc(C(=O)/C=C/c2ccccc2Cl)c([O-])c1	ZINC000004279052	567192660	/nfs/dbraw/zinc/19/26/60/567192660.db2.gz	ODHIKTBXCYVAFQ-RMKNXTFCSA-N	-1	0	288.730	3.950	50	30		CHEARM
CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C([O-])C1	ZINC000000344025	567825964	/nfs/dbraw/zinc/82/59/64/567825964.db2.gz	XBIAVGZDFMACCR-UHFFFAOYSA-N	-1	0	293.344	3.846	50	30		CHEARM
C=CCc1cccc(/C=N/c2ccc(OC)cc2)c1O	ZINC000000353566	567826401	/nfs/dbraw/zinc/82/64/01/567826401.db2.gz	OHKCULRKAAGLNU-LDADJPATSA-N	-1	0	267.328	3.880	50	30		CHEARM
Cc1ccc(/C=C/C(=O)c2ccccc2[O-])c(C)c1	ZINC000072333011	567895640	/nfs/dbraw/zinc/89/56/40/567895640.db2.gz	ZAWHOSMZJDPEOK-MDZDMXLPSA-N	-1	0	252.313	3.905	50	30		CHEARM
Cc1c(Cl)cccc1/N=C/c1ccc(O)cc1O	ZINC000000273925	567926102	/nfs/dbraw/zinc/92/61/02/567926102.db2.gz	MEHOCZITVYBIFC-LZYBPNLTSA-N	-1	0	261.708	3.810	50	30		CHEARM
CCCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407514	1120818345	/nfs/dbraw/zinc/81/83/45/1120818345.db2.gz	UOVCCOIZVVCVAC-UHFFFAOYSA-N	-1	0	291.372	3.675	50	30		CHEARM
C=CCOc1c(CCC)cc(C(=O)[O-])c(C)c1CC	ZINC000033610680	1124038638	/nfs/dbraw/zinc/03/86/38/1124038638.db2.gz	NCUCDFZBAOBFRB-UHFFFAOYSA-N	-1	0	262.349	3.773	50	30		CHEARM
CSc1sc(C(=O)[O-])c(-c2cccs2)c1C#N	ZINC000000095128	169534250	/nfs/dbraw/zinc/53/42/50/169534250.db2.gz	KCKKPGUVJQQBNJ-UHFFFAOYSA-N	-1	0	281.383	3.768	50	30		CHEARM
Cc1ccc(-c2nc(-c3ccccc3)[n-]c(=O)c2C#N)cc1	ZINC000008762155	170354894	/nfs/dbraw/zinc/35/48/94/170354894.db2.gz	JHDFNPWGICFHQU-UHFFFAOYSA-N	-1	0	287.322	3.696	50	30		CHEARM
C/C(=N\O)c1sc(-c2ccc(Cl)cc2)nc1C	ZINC000100067316	570258432	/nfs/dbraw/zinc/25/84/32/570258432.db2.gz	PHFXDYCHLYHVPO-OVCLIPMQSA-N	-1	0	266.753	3.970	50	30		CHEARM
COc1ccc(Sc2ccccc2C=N[O-])cc1OC	ZINC000252601718	567066305	/nfs/dbraw/zinc/06/63/05/567066305.db2.gz	FBWBSPYDLPTPQT-UHFFFAOYSA-N	-1	0	289.356	3.663	50	30		CHEARM
N#CC(=C([O-])c1ccco1)c1nc2cc(F)ccc2s1	ZINC000095389709	567129283	/nfs/dbraw/zinc/12/92/83/567129283.db2.gz	SDOQPHCDCYBFHV-VIFPVBQESA-N	-1	0	286.287	3.518	50	30		CHEARM
CC(=O)Nc1ccc(C(=O)/C=C/c2cccc(C)c2)c([O-])c1	ZINC000032502231	567192001	/nfs/dbraw/zinc/19/20/01/567192001.db2.gz	ORYHLJZYMNGUFT-RMKNXTFCSA-N	-1	0	295.338	3.555	50	30		CHEARM
O=C(/C=C/c1ccco1)c1cc(Br)ccc1[O-]	ZINC000004349934	567857015	/nfs/dbraw/zinc/85/70/15/567857015.db2.gz	FHDMEGWONAAPEK-GQCTYLIASA-N	-1	0	293.116	3.644	50	30		CHEARM
Oc1ccc2ccccc2c1/C=N/Cc1cccnc1	ZINC000013468487	567866174	/nfs/dbraw/zinc/86/61/74/567866174.db2.gz	KEJZYIVPICKCDD-XDHOZWIPSA-N	-1	0	262.312	3.560	50	30		CHEARM
Cc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000020074002	567880976	/nfs/dbraw/zinc/88/09/76/567880976.db2.gz	HVAUIGDFGCAZML-ZHACJKMWSA-N	-1	0	281.311	3.502	50	30		CHEARM
O=C1c2ccccc2C(=O)C(c2ccc(Cl)cc2)=C1[O-]	ZINC000000434158	567887527	/nfs/dbraw/zinc/88/75/27/567887527.db2.gz	HWRVFGNFROHXLI-UHFFFAOYSA-N	-1	0	284.698	3.688	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)c1	ZINC000058371083	567895739	/nfs/dbraw/zinc/89/57/39/567895739.db2.gz	FDHWXIRIFWLDHW-MRXNPFEDSA-N	-1	0	298.386	3.915	50	30		CHEARM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(F)cc2)c1[O-]	ZINC000014921220	570301051	/nfs/dbraw/zinc/30/10/51/570301051.db2.gz	KOGVOOKKLMSIIU-FRKPEAEDSA-N	-1	0	294.669	3.844	50	30		CHEARM
O=C([O-])c1ccccc1/C=C/C(=O)c1ccc(Cl)cc1	ZINC000012249744	570301355	/nfs/dbraw/zinc/30/13/55/570301355.db2.gz	GZQURVZJFIRSKV-JXMROGBWSA-N	-1	0	286.714	3.934	50	30		CHEARM
C=CCn1c(=O)c2cc(Cl)cc(Cl)c2[n-]c1=S	ZINC000005725895	170133624	/nfs/dbraw/zinc/13/36/24/170133624.db2.gz	BGQKBXAPJYTARF-UHFFFAOYSA-N	-1	0	287.171	3.552	50	30		CHEARM
CCCc1cc([S-])n2c3ccccc3nc2c1C#N	ZINC000006349985	170194564	/nfs/dbraw/zinc/19/45/64/170194564.db2.gz	CRYFLUGDTOFKIM-UHFFFAOYSA-N	-1	0	267.357	3.600	50	30		CHEARM
CCc1ccc(C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000006493554	170206486	/nfs/dbraw/zinc/20/64/86/170206486.db2.gz	ZADCQPBBKFTLNE-UHFFFAOYSA-N	-1	0	278.307	3.597	50	30		CHEARM
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1	ZINC000006495660	170207375	/nfs/dbraw/zinc/20/73/75/170207375.db2.gz	AZAFTCVEBQSLDE-JXMROGBWSA-N	-1	0	286.714	3.934	50	30		CHEARM
Cc1ccccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000008322507	170330802	/nfs/dbraw/zinc/33/08/02/170330802.db2.gz	USGAKVCLFQJATR-DHZHZOJOSA-N	-1	0	266.296	3.589	50	30		CHEARM
Cc1ccc(N=C(CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1	ZINC000020166515	171040854	/nfs/dbraw/zinc/04/08/54/171040854.db2.gz	GTSADCUYSDRVEW-WJDWOHSUSA-N	-1	0	295.338	3.567	50	30		CHEARM
CCCCCCCCCC1C(=O)N=C(SC)N=C1[O-]	ZINC000008385505	520031744	/nfs/dbraw/zinc/03/17/44/520031744.db2.gz	HCOAAEXGEXXDLJ-UHFFFAOYSA-N	-1	0	284.425	3.903	50	30		CHEARM
N#Cc1c(=O)oc2cc([O-])ccc2c1-c1ccccc1Cl	ZINC000096336788	567141733	/nfs/dbraw/zinc/14/17/33/567141733.db2.gz	FXDKUBHXDHFWOP-UHFFFAOYSA-N	-1	0	297.697	3.691	50	30		CHEARM
CCCCCCCC[P@](=O)([O-])c1ccccc1	ZINC000002493678	567146108	/nfs/dbraw/zinc/14/61/08/567146108.db2.gz	OSZRNXHZKQPTFA-UHFFFAOYSA-N	-1	0	254.310	3.943	50	30		CHEARM
O=C(/C=C/c1ccccc1F)c1cc(F)ccc1[O-]	ZINC000004279014	567193135	/nfs/dbraw/zinc/19/31/35/567193135.db2.gz	BKQXXTLXYQNJIO-FNORWQNLSA-N	-1	0	260.239	3.567	50	30		CHEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3ncccc3c2)c1	ZINC000000244238	567823036	/nfs/dbraw/zinc/82/30/36/567823036.db2.gz	FUONIBGOHUAYPQ-VCHYOVAHSA-N	-1	0	293.282	3.599	50	30		CHEARM
O=C(/C=C/c1ccccc1)c1cccc(Cl)c1[O-]	ZINC000004252512	567856160	/nfs/dbraw/zinc/85/61/60/567856160.db2.gz	ZJDNMXQWNJMCQT-MDZDMXLPSA-N	-1	0	258.704	3.942	50	30		CHEARM
O=C(/C=C/c1ccc(F)c(F)c1)c1ccccc1[O-]	ZINC000060052085	567896847	/nfs/dbraw/zinc/89/68/47/567896847.db2.gz	TUXXLLJAIKMZJR-SOFGYWHQSA-N	-1	0	260.239	3.567	50	30		CHEARM
O=C(C=C([O-])C(F)(F)F)c1cccc(Br)c1	ZINC000100244406	567912506	/nfs/dbraw/zinc/91/25/06/567912506.db2.gz	XDYFRFMETLXJFN-WEVVVXLNSA-N	-1	0	295.054	3.636	50	30		CHEARM
O=C(C=C([O-])c1ccccc1)C(O)=CC(=O)c1ccccc1	ZINC000100297010	567912623	/nfs/dbraw/zinc/91/26/23/567912623.db2.gz	YORIHZSVRUBUIT-WHYMJUELSA-N	-1	0	294.306	3.636	50	30		CHEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2ccc(C)cc2C)s1	ZINC000102763763	567942110	/nfs/dbraw/zinc/94/21/10/567942110.db2.gz	XUPOAZBWVCHAEP-CQSZACIVSA-N	-1	0	297.379	3.879	50	30		CHEARM
CC/C(=N\O)c1ccc(CCCCCC(=O)[O-])s1	ZINC000012384060	1120642533	/nfs/dbraw/zinc/64/25/33/1120642533.db2.gz	VMKNESKLNPJRRV-SDNWHVSQSA-N	-1	0	269.366	3.524	50	30		CHEARM
CC(=Cc1coc2ccccc12)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000253536094	1129638851	/nfs/dbraw/zinc/63/88/51/1129638851.db2.gz	AKZDTXKTINHYKI-YFHOEESVSA-N	-1	0	291.310	3.669	50	30		CHEARM
CCOc1ccccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000098053734	1129642605	/nfs/dbraw/zinc/64/26/05/1129642605.db2.gz	PACMAWMVWFJXQU-XFXZXTDPSA-N	-1	0	296.322	3.680	50	30		CHEARM
Cc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001455423	169706805	/nfs/dbraw/zinc/70/68/05/169706805.db2.gz	DYVNDNGSWTXBSD-GZTJUZNOSA-N	-1	0	294.383	3.798	50	30		CHEARM
N#Cc1ccc(CSc2ccccc2C(=O)[O-])cc1	ZINC000003316900	169878152	/nfs/dbraw/zinc/87/81/52/169878152.db2.gz	NCFIAZPXLCPUKJ-UHFFFAOYSA-N	-1	0	269.325	3.549	50	30		CHEARM
Cc1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1C	ZINC000004705047	170002400	/nfs/dbraw/zinc/00/24/00/170002400.db2.gz	DFJMSODYXMBPGH-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
Cc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1C	ZINC000005508729	170105465	/nfs/dbraw/zinc/10/54/65/170105465.db2.gz	ATJIOBDMUBXYPE-CXUHLZMHSA-N	-1	0	270.288	3.668	50	30		CHEARM
O=C([O-])c1c(F)cc(C(F)(F)F)cc1C(F)(F)F	ZINC000038529628	174144194	/nfs/dbraw/zinc/14/41/94/174144194.db2.gz	MRBORTVPNDQHFN-UHFFFAOYSA-N	-1	0	276.107	3.562	50	30		CHEARM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000008322580	526015010	/nfs/dbraw/zinc/01/50/10/526015010.db2.gz	XBHXBONLOUZWIX-UXBLZVDNSA-N	-1	0	280.323	3.898	50	30		CHEARM
CC(N=Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1	ZINC000003909170	566844623	/nfs/dbraw/zinc/84/46/23/566844623.db2.gz	RRANOFLKQABFFF-YVLHZVERSA-N	-1	0	288.734	3.874	50	30		CHEARM
Cc1ccc(-c2c[n-]c(=O)c(C#N)c2C(F)(F)F)cc1	ZINC000085416432	566892398	/nfs/dbraw/zinc/89/23/98/566892398.db2.gz	FMRKHVTVGMGUNP-UHFFFAOYSA-N	-1	0	278.233	3.653	50	30		CHEARM
O=C([O-])c1cccc(/N=C/c2c(O)ccc3ccccc32)c1	ZINC000002164000	566912219	/nfs/dbraw/zinc/91/22/19/566912219.db2.gz	ZKQQOEKFXGIIRV-YBFXNURJSA-N	-1	0	291.306	3.994	50	30		CHEARM
CSc1ccc(C=Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000252462190	567050961	/nfs/dbraw/zinc/05/09/61/567050961.db2.gz	QMRCPJWGPKSHGQ-UHFFFAOYSA-N	-1	0	288.328	3.773	50	30		CHEARM
Cc1[nH]c2ccccc2c1C=Nc1ccccc1C(=O)[O-]	ZINC000252613775	567066801	/nfs/dbraw/zinc/06/68/01/567066801.db2.gz	JEAALJMGZKUELG-UHFFFAOYSA-N	-1	0	278.311	3.925	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2ccccc2Cl)cc1C(F)(F)F	ZINC000004023430	567184046	/nfs/dbraw/zinc/18/40/46/567184046.db2.gz	MLBPAQJYELTHHW-UHFFFAOYSA-N	-1	0	298.651	3.998	50	30		CHEARM
CCC([O-])=C1C(=O)CC(C)(C)[C@@H](c2ccccc2)C1=O	ZINC000004025273	567184444	/nfs/dbraw/zinc/18/44/44/567184444.db2.gz	YHGZEZKUEMFPNZ-HNNXBMFYSA-N	-1	0	272.344	3.560	50	30		CHEARM
CCCCCCCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000003157900	567851610	/nfs/dbraw/zinc/85/16/10/567851610.db2.gz	DIBJPKPIMHBNDD-UHFFFAOYSA-N	-1	0	263.337	3.684	50	30		CHEARM
CCN(CC)c1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1	ZINC000000098662	567910689	/nfs/dbraw/zinc/91/06/89/567910689.db2.gz	MZELTMSKFOYGCD-CPNJWEJPSA-N	-1	0	296.370	3.982	50	30		CHEARM
Cc1cccc(N=Cc2cc(C)cc([N+](=O)[O-])c2[O-])c1	ZINC000252620153	567930206	/nfs/dbraw/zinc/93/02/06/567930206.db2.gz	LYIPPMYZRCRJJZ-UHFFFAOYSA-N	-1	0	270.288	3.668	50	30		CHEARM
C=CCOc1c(Cl)cc(/C=C/C(=O)[O-])cc1Cl	ZINC000012394676	570339691	/nfs/dbraw/zinc/33/96/91/570339691.db2.gz	IFHLYQDTXTXKHC-ONEGZZNKSA-N	-1	0	273.115	3.656	50	30		CHEARM
Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1C	ZINC000252460334	1119529207	/nfs/dbraw/zinc/52/92/07/1119529207.db2.gz	DPODLIJMMLESBA-UHFFFAOYSA-N	-1	0	270.288	3.668	50	30		CHEARM
C=CC[Si](CC=C)(CC=C)C[C@H]1C[C@H]1C(=O)[O-]	ZINC000198088021	1123648490	/nfs/dbraw/zinc/64/84/90/1123648490.db2.gz	PRPQNQPEIJSRIQ-CHWSQXEVSA-N	-1	0	250.414	3.714	50	30		CHEARM
[O-]N=Cc1ccccc1OCc1ccccc1Cl	ZINC000252638697	1133226221	/nfs/dbraw/zinc/22/62/21/1133226221.db2.gz	YEMBTGSCXXONLN-UHFFFAOYSA-N	-1	0	261.708	3.727	50	30		CHEARM
Cc1c(C(=O)[O-])c(-c2ccc(Cl)cc2)cn1CCC#N	ZINC000096663719	185109663	/nfs/dbraw/zinc/10/96/63/185109663.db2.gz	ICQPCBFBXVFMSZ-UHFFFAOYSA-N	-1	0	288.734	3.729	50	30		CHEARM
CCc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000005287368	170083241	/nfs/dbraw/zinc/08/32/41/170083241.db2.gz	VRSCRTFMCNUMPA-MHWRWJLKSA-N	-1	0	270.288	3.613	50	30		CHEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2)cc1	ZINC000001301128	326794224	/nfs/dbraw/zinc/79/42/24/326794224.db2.gz	PCTAYKUKFPGSOI-GZTJUZNOSA-N	-1	0	294.383	3.798	50	30		CHEARM
CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002379464	570359759	/nfs/dbraw/zinc/35/97/59/570359759.db2.gz	OXOZMSCSDJPGHN-GFCCVEGCSA-N	-1	0	287.400	3.715	50	30		CHEARM
O=C([O-])c1cccc(NN=Cc2c(F)cccc2Cl)c1	ZINC000003909605	566845057	/nfs/dbraw/zinc/84/50/57/566845057.db2.gz	XHWWENPEBDVWHY-CAOOACKPSA-N	-1	0	292.697	3.623	50	30		CHEARM
O=C([O-])c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1	ZINC000004774958	566986282	/nfs/dbraw/zinc/98/62/82/566986282.db2.gz	VZEJBHQYZBEMMM-YBFXNURJSA-N	-1	0	291.306	3.994	50	30		CHEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccccc1)CCc1ccccc1-2	ZINC000000159949	567102373	/nfs/dbraw/zinc/10/23/73/567102373.db2.gz	PVQDXCMMWZBOBY-UHFFFAOYSA-N	-1	0	298.345	3.679	50	30		CHEARM
N#Cc1ccc(F)c(CSc2ccccc2C(=O)[O-])c1	ZINC000012976525	567115439	/nfs/dbraw/zinc/11/54/39/567115439.db2.gz	FYAWKXNNMIHDMI-UHFFFAOYSA-N	-1	0	287.315	3.688	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2cccc(Cl)c2)cc1C(F)(F)F	ZINC000004023431	567184275	/nfs/dbraw/zinc/18/42/75/567184275.db2.gz	YMKDZXQLWARBNI-UHFFFAOYSA-N	-1	0	298.651	3.998	50	30		CHEARM
CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C)cc2)c([O-])c1	ZINC000032502226	567191417	/nfs/dbraw/zinc/19/14/17/567191417.db2.gz	BEZLYWMALZYLFE-JXMROGBWSA-N	-1	0	295.338	3.555	50	30		CHEARM
Cc1cc(N=Cc2sc3ccccc3c2[O-])no1	ZINC000252612698	570376215	/nfs/dbraw/zinc/37/62/15/570376215.db2.gz	IUUDMCPJAGJFRM-UHFFFAOYSA-N	-1	0	258.302	3.654	50	30		CHEARM
O=C1c2cccc3c2C(C(O)=CC3)C([O-])=C1c1ccccc1	ZINC000101492359	185741781	/nfs/dbraw/zinc/74/17/81/185741781.db2.gz	MJLYQDKIWCSHFK-UHFFFAOYSA-N	-1	0	290.318	3.911	50	30		CHEARM
C=CCC(C(=O)[O-])(c1ccccc1)c1ccccc1	ZINC000001038933	169686830	/nfs/dbraw/zinc/68/68/30/169686830.db2.gz	BLRSCYRFTSBWIH-UHFFFAOYSA-N	-1	0	252.313	3.633	50	30		CHEARM
CCCCCCCCc1ccc(S(=O)(=O)[O-])cc1	ZINC000002567964	169810809	/nfs/dbraw/zinc/81/08/09/169810809.db2.gz	MSOTUIWEAQEETA-UHFFFAOYSA-N	-1	0	270.394	3.836	50	30		CHEARM
CCOc1ccccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000007713705	170298632	/nfs/dbraw/zinc/29/86/32/170298632.db2.gz	PACMAWMVWFJXQU-FMIVXFBMSA-N	-1	0	296.322	3.680	50	30		CHEARM
CCCCCCCCCCCCCC(=O)NCC(=O)[O-]	ZINC000071788297	260273864	/nfs/dbraw/zinc/27/38/64/260273864.db2.gz	DYUGTPXLDJQBRB-UHFFFAOYSA-N	-1	0	285.428	3.888	50	30	endogenous,in-man	CHEARM
CCCCCCCCCCCCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000095883149	327203403	/nfs/dbraw/zinc/20/34/03/327203403.db2.gz	ZNQTZHTYSHEJLH-HNNXBMFYSA-N	-1	0	297.439	3.840	50	30		CHEARM
O=C([O-])c1ccc(NC=C2Sc3ccccc3C2=O)cc1	ZINC000100445152	534544075	/nfs/dbraw/zinc/54/40/75/534544075.db2.gz	GVVPBDFQFXEAKU-ZROIWOOFSA-N	-1	0	297.335	3.627	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2ccc(F)cc2)cc1-c1ccccc1	ZINC000016977770	567033774	/nfs/dbraw/zinc/03/37/74/567033774.db2.gz	ZUTRSZJGNHCVSA-UHFFFAOYSA-N	-1	0	290.297	3.720	50	30		CHEARM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1	ZINC000001254347	567836783	/nfs/dbraw/zinc/83/67/83/567836783.db2.gz	BOCOKUYWLYGMCG-GZTJUZNOSA-N	-1	0	294.383	3.798	50	30		CHEARM
COc1cc([O-])c(C(=O)/C=C/c2ccc(C)cc2)c(OC)c1	ZINC000004252591	567856356	/nfs/dbraw/zinc/85/63/56/567856356.db2.gz	PWVBSDQARMAGHJ-CMDGGOBGSA-N	-1	0	298.338	3.614	50	30		CHEARM
CCCc1ccc(O)c(/N=C/c2ccc([N+](=O)[O-])o2)c1	ZINC000004550252	567858207	/nfs/dbraw/zinc/85/82/07/567858207.db2.gz	HADAUTVGXOIBBP-OQLLNIDSSA-N	-1	0	274.276	3.597	50	30		CHEARM
CSc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000019860498	567879183	/nfs/dbraw/zinc/87/91/83/567879183.db2.gz	QMRCPJWGPKSHGQ-OQLLNIDSSA-N	-1	0	288.328	3.773	50	30		CHEARM
N#Cc1c(=O)[n-]c(-c2cccs2)cc1-c1cccs1	ZINC000013657816	567893992	/nfs/dbraw/zinc/89/39/92/567893992.db2.gz	PZUIIRHHOWQYKG-UHFFFAOYSA-N	-1	0	284.365	3.704	50	30		CHEARM
CCCCCCCCCOC(=S)SCC(=O)[O-]	ZINC000101363096	567914843	/nfs/dbraw/zinc/91/48/43/567914843.db2.gz	OKVOIWGOPBESPE-UHFFFAOYSA-N	-1	0	278.439	3.856	50	30		CHEARM
Cc1ccc(-c2cc(-c3cccs3)[n-]c(=O)c2C#N)cc1	ZINC000012461948	570325909	/nfs/dbraw/zinc/32/59/09/570325909.db2.gz	HLPRELDACZZZAE-UHFFFAOYSA-N	-1	0	292.363	3.951	50	30		CHEARM