smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409359105	533717767	/nfs/dbraw/zinc/71/77/67/533717767.db2.gz	MQMWLZJCAQCCGH-LLVKDONJSA-N	-1	0	383.360	1.845	40	30		GDEBRM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101301710	524426943	/nfs/dbraw/zinc/42/69/43/524426943.db2.gz	BUBUUNFEPMMWNW-NIQMNWOISA-N	-1	0	396.490	1.457	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1	ZINC000101300381	527569796	/nfs/dbraw/zinc/56/97/96/527569796.db2.gz	RXPYKQHMYVQWJP-QIDLRVTFSA-N	-1	0	386.426	1.292	40	30		GDEBRM
O=C([N-][C@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccncc1)C(Cl)(Cl)Cl	ZINC000005906202	204157375	/nfs/dbraw/zinc/15/73/75/204157375.db2.gz	KMHVVTHQKCNCOX-UYEDEIATSA-N	-1	0	384.672	1.153	40	30		GDEBRM
O=[N+]([O-])c1cc(/C=N/NS(=O)(=O)c2ccc(F)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000006017639	204161736	/nfs/dbraw/zinc/16/17/36/204161736.db2.gz	ZVJHJBWCLSDDOX-VIZOYTHASA-N	-1	0	384.301	1.660	40	30		GDEBRM
CN1C(=O)/C(=C\c2ccc(C(=O)N[C@H](CS)C(=O)[O-])cc2)SC1=S	ZINC000005374744	204129904	/nfs/dbraw/zinc/12/99/04/204129904.db2.gz	XMFACCMFVLGFEJ-VUUNSECVSA-N	-1	0	382.488	1.630	40	30		GDEBRM
COC(=O)[C@]1(CC(=O)c2cccc3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006385087	204177720	/nfs/dbraw/zinc/17/77/20/204177720.db2.gz	HZJXTDVPFALGPN-IFXJQAMLSA-N	-1	0	381.413	1.468	40	30		GDEBRM
CN(CCC#N)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000020470007	522672937	/nfs/dbraw/zinc/67/29/37/522672937.db2.gz	ZJHBMSXGCALDAF-UHFFFAOYSA-N	-1	0	379.467	1.728	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1	ZINC000101306465	527575532	/nfs/dbraw/zinc/57/55/32/527575532.db2.gz	RKIPDIXMZGTWPU-WTIFFKHKSA-N	-1	0	396.490	1.539	40	30		GDEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409351828	533927367	/nfs/dbraw/zinc/92/73/67/533927367.db2.gz	BBSDYHWGKJRSAQ-SNVBAGLBSA-N	-1	0	398.331	1.744	40	30		GDEBRM
Cc1cccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101312386	524531883	/nfs/dbraw/zinc/53/18/83/524531883.db2.gz	QHHDSFQRQODTSD-AUVQNDJMSA-N	-1	0	396.490	1.851	40	30		GDEBRM
COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C([O-])[C@H](O)[C@]1(C)OC	ZINC000253388155	560039793	/nfs/dbraw/zinc/03/97/93/560039793.db2.gz	GJGRGJCMJUMZKN-SCTDSRPQSA-N	-1	0	380.393	1.724	40	30	biogenic,in-vitro	GDEBRM
COC(=O)[C@@]1(CC(=O)c2cccc3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006384938	204177640	/nfs/dbraw/zinc/17/76/40/204177640.db2.gz	HZJXTDVPFALGPN-LIRRHRJNSA-N	-1	0	381.413	1.468	40	30		GDEBRM
Cn1c2nc(NN=Cc3ccc(Br)cc3)[n-]c2c(=O)n(C)c1=O	ZINC000008616107	204282293	/nfs/dbraw/zinc/28/22/93/204282293.db2.gz	SEUBGVBXLVAUHR-FRKPEAEDSA-N	-1	0	377.202	1.169	40	30		GDEBRM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101313367	526137752	/nfs/dbraw/zinc/13/77/52/526137752.db2.gz	XHKPOVXZQQQNEJ-OCWZUINPSA-N	-1	0	398.462	1.161	40	30		GDEBRM
C=CCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000408590325	526834111	/nfs/dbraw/zinc/83/41/11/526834111.db2.gz	FZQWKAKMGVEYIP-YRNVUSSQSA-N	-1	0	381.182	1.991	40	30		GDEBRM
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1/C(=N/[O-])c1nonc1N	ZINC000016609559	570928827	/nfs/dbraw/zinc/92/88/27/570928827.db2.gz	KJPHPUPBMFDWJM-CGKMWGNMSA-N	-1	0	381.780	1.560	40	30		GDEBRM
O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccccc1)C(Cl)(Cl)Cl	ZINC000005899354	204156396	/nfs/dbraw/zinc/15/63/96/204156396.db2.gz	PVLZUHCHSUUXJQ-NKYKPJTKSA-N	-1	0	383.684	1.758	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000101309657	527571309	/nfs/dbraw/zinc/57/13/09/527571309.db2.gz	NDPFBDDYAOCBGQ-CJAGMJCESA-N	-1	0	386.495	1.137	40	30		GDEBRM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101301721	524427469	/nfs/dbraw/zinc/42/74/69/524427469.db2.gz	BUBUUNFEPMMWNW-AUVQNDJMSA-N	-1	0	396.490	1.457	40	30		GDEBRM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101312371	524532042	/nfs/dbraw/zinc/53/20/42/524532042.db2.gz	KHBXVJFYMHUZKH-MSPKJWORSA-N	-1	0	382.463	1.461	40	30		GDEBRM
Cc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000101312022	525219032	/nfs/dbraw/zinc/21/90/32/525219032.db2.gz	IDCWOWVYIGVCPF-OCWZUINPSA-N	-1	0	382.463	1.461	40	30		GDEBRM
C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000408594166	527092600	/nfs/dbraw/zinc/09/26/00/527092600.db2.gz	SQTBOJHKBOTLNC-YRNVUSSQSA-N	-1	0	379.166	1.438	40	30		GDEBRM
C[C@H](Oc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000409348882	231194002	/nfs/dbraw/zinc/19/40/02/231194002.db2.gz	PTLYNBOYUUEXNL-JTQLQIEISA-N	-1	0	398.331	1.744	40	30		GDEBRM
COC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)NC(=S)NC([O-])=C1C#N	ZINC000006384907	204177433	/nfs/dbraw/zinc/17/74/33/204177433.db2.gz	AQCJSIUHOJTODK-KUHUBIRLSA-N	-1	0	381.413	1.468	40	30		GDEBRM
Nn1c(NN=Cc2ccc(I)cc2O)n[n-]c1=S	ZINC000006925801	206219978	/nfs/dbraw/zinc/21/99/78/206219978.db2.gz	PYKXCDRVAPQLJV-UUILKARUSA-N	-1	0	376.183	1.037	40	30		GDEBRM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@H]3[C@H]1C[C@@H](O)[C@@H]2O	ZINC000105372164	525351843	/nfs/dbraw/zinc/35/18/43/525351843.db2.gz	HXNCOPXZMVYOSZ-KXJHBWDYSA-N	-1	0	375.421	1.843	40	30		GDEBRM
Cc1nn2c(nnc3c(=O)n([C@@H](CS)C(=O)[O-])ccc32)c1-c1ccccc1	ZINC000040390993	526313817	/nfs/dbraw/zinc/31/38/17/526313817.db2.gz	CMOSWCHGAVSIOL-ZDUSSCGKSA-N	-1	0	381.417	1.970	40	30		GDEBRM
O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccncc1)C(Cl)(Cl)Cl	ZINC000005906286	204157732	/nfs/dbraw/zinc/15/77/32/204157732.db2.gz	KMHVVTHQKCNCOX-OSSNUBCUSA-N	-1	0	384.672	1.153	40	30		GDEBRM
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409359106	533718383	/nfs/dbraw/zinc/71/83/83/533718383.db2.gz	MQMWLZJCAQCCGH-NSHDSACASA-N	-1	0	383.360	1.845	40	30		GDEBRM
COc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)[N-]C(N)=O)cc2)cc1	ZINC000005335295	523538027	/nfs/dbraw/zinc/53/80/27/523538027.db2.gz	QZQUKZCRCNVCLB-ZHACJKMWSA-N	-1	0	375.406	1.861	40	30		GDEBRM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101309333	524411724	/nfs/dbraw/zinc/41/17/24/524411724.db2.gz	SNKVUXSWSCACJA-AUVQNDJMSA-N	-1	0	396.490	1.770	40	30		GDEBRM
O=C([O-])[C@@H](CS)n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O	ZINC000040391485	527647479	/nfs/dbraw/zinc/64/74/79/527647479.db2.gz	BFCDWWIIZOJEQQ-CYBMUJFWSA-N	-1	0	385.380	1.801	40	30		GDEBRM
C#CCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000006758650	530542749	/nfs/dbraw/zinc/54/27/49/530542749.db2.gz	BPQKQLAHBLUXIB-UHFFFAOYSA-N	-1	0	393.193	1.609	40	30		GDEBRM
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])C(=O)NC1=S	ZINC000408902320	526388593	/nfs/dbraw/zinc/38/85/93/526388593.db2.gz	MYEUGZDFFVYNDT-YRNVUSSQSA-N	-1	0	377.378	1.512	40	30		GDEBRM
CCNC(=S)N/N=C/c1cc(Br)c(OCC(=O)[O-])c(OC)c1	ZINC000033643319	530612353	/nfs/dbraw/zinc/61/23/53/530612353.db2.gz	XNARXESKRKUXSH-OMCISZLKSA-N	-1	0	390.259	1.739	40	30		GDEBRM
C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000575426195	532014373	/nfs/dbraw/zinc/01/43/73/532014373.db2.gz	OGPQPZZAGGZIIY-LLVKDONJSA-N	-1	0	393.870	1.402	40	30		GDEBRM
COc1ccc(NC(=O)/C(Cc2nc3ccccc3[nH]c2=O)=N\[O-])c(OC)c1	ZINC000017214042	524450353	/nfs/dbraw/zinc/45/03/53/524450353.db2.gz	YTLWDGPEWCMNBO-KQWNVCNZSA-N	-1	0	382.376	1.952	40	30		GDEBRM
COc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000101306869	524533621	/nfs/dbraw/zinc/53/36/21/524533621.db2.gz	AUMBORIDHZCVAU-WIYJTWHSSA-N	-1	0	398.462	1.161	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1	ZINC000101315178	526441908	/nfs/dbraw/zinc/44/19/08/526441908.db2.gz	VIEIDCJKHUSWAI-GWCPFFAYSA-N	-1	0	387.845	1.994	40	30		GDEBRM
N#CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000225030101	570544216	/nfs/dbraw/zinc/54/42/16/570544216.db2.gz	PGFPFMRXDAMJID-UHFFFAOYSA-N	-1	0	375.362	1.941	40	30		GDEBRM
C/C(=N\NC(=S)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-])c1ccccn1	ZINC000016940494	204604082	/nfs/dbraw/zinc/60/40/82/204604082.db2.gz	NQXJJTJTMSOYHA-RQZCQDPDSA-N	-1	0	395.422	1.947	40	30		GDEBRM
COc1cccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409347195	533443421	/nfs/dbraw/zinc/44/34/21/533443421.db2.gz	NBKINIMCBJWMAP-NSHDSACASA-N	-1	0	383.360	1.845	40	30		GDEBRM
Cc1ccccc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000101312029	525218838	/nfs/dbraw/zinc/21/88/38/525218838.db2.gz	PASYZGPMWNMCDS-AUVQNDJMSA-N	-1	0	396.490	1.851	40	30		GDEBRM
NC(=O)C(=NNc1ccc(S(=O)(=O)[O-])cc1)c1nc2ccccc2s1	ZINC000006829918	220968991	/nfs/dbraw/zinc/96/89/91/220968991.db2.gz	KFTPNYVGLCHUAR-CPNJWEJPSA-N	-1	0	376.419	1.845	40	30		GDEBRM
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1	ZINC000224896696	519730164	/nfs/dbraw/zinc/73/01/64/519730164.db2.gz	GOJATOQXILDTMF-UHFFFAOYSA-N	-1	0	387.417	1.991	40	30		GDEBRM
C[C@]12CC[C@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000004062214	570614709	/nfs/dbraw/zinc/61/47/09/570614709.db2.gz	HXNCOPXZMVYOSZ-YPYXFBQWSA-N	-1	0	375.421	1.843	40	30		GDEBRM
COCCOCC(=O)N=C1C=CC(=S(=O)([O-])Nc2cc(C)nc(C)n2)C=C1	ZINC000409416078	533050664	/nfs/dbraw/zinc/05/06/64/533050664.db2.gz	BGRUXSWZRJDTFP-UHFFFAOYSA-N	-1	0	394.453	1.107	40	30		GDEBRM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101301715	524425873	/nfs/dbraw/zinc/42/58/73/524425873.db2.gz	BUBUUNFEPMMWNW-RUIRWZRLSA-N	-1	0	396.490	1.457	40	30		GDEBRM
Cc1ccccc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000101312027	525219012	/nfs/dbraw/zinc/21/90/12/525219012.db2.gz	PASYZGPMWNMCDS-RUIRWZRLSA-N	-1	0	396.490	1.851	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl	ZINC000101303082	526442341	/nfs/dbraw/zinc/44/23/41/526442341.db2.gz	UBTMIXLDSJMPLK-INGRWJPNSA-N	-1	0	383.882	1.851	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	ZINC000101310865	527574867	/nfs/dbraw/zinc/57/48/67/527574867.db2.gz	CBUFSKLAOUSFDV-AHIOURIWSA-N	-1	0	382.463	1.543	40	30		GDEBRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)OCCN1C(=O)c2ccccc2C1=O	ZINC000226857732	570462085	/nfs/dbraw/zinc/46/20/85/570462085.db2.gz	QUGFQCUILUDVBC-UHFFFAOYSA-N	-1	0	389.385	1.695	40	30		GDEBRM
C[C@]12CC[C@@H]3c4ccc(O)cc4C(=NOCC(=O)[O-])C[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000299888399	231044751	/nfs/dbraw/zinc/04/47/51/231044751.db2.gz	HXNCOPXZMVYOSZ-JQXHPQJXSA-N	-1	0	375.421	1.843	40	30		GDEBRM
CCOc1c(I)cc(CN=Nc2nnn[n-]2)cc1OC	ZINC000006758629	530542994	/nfs/dbraw/zinc/54/29/94/530542994.db2.gz	XTSQAWQXVFAGLI-AWNIVKPZSA-N	-1	0	388.169	1.658	40	30		GDEBRM
C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1/C(=N/[O-])c1nonc1N	ZINC000100927264	136189264	/nfs/dbraw/zinc/18/92/64/136189264.db2.gz	NNRKAJUUXFMTHC-GERUYDHFSA-N	-1	0	381.780	1.560	40	30		GDEBRM
C/C(=N\C(CO)(CO)CO)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643593	518456855	/nfs/dbraw/zinc/45/68/55/518456855.db2.gz	GYZOMAUFSNLKGQ-HYARGMPZSA-N	-1	0	382.416	1.221	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	ZINC000101310863	527575552	/nfs/dbraw/zinc/57/55/52/527575552.db2.gz	CBUFSKLAOUSFDV-OCWZUINPSA-N	-1	0	382.463	1.543	40	30		GDEBRM
Cc1ccc(N2C(=O)C(=CNNc3ccc([N+](=O)[O-])cn3)C(=O)[N-]C2=S)cc1	ZINC000408762474	570545064	/nfs/dbraw/zinc/54/50/64/570545064.db2.gz	BHVVXJFIWUYFNR-JFPGXGMNSA-N	-1	0	398.404	1.760	40	30		GDEBRM
N#CC1=C([O-])NC(N2CCN(C(=O)c3ccco3)CC2)=NC12CCCCCC2	ZINC000010385605	570570221	/nfs/dbraw/zinc/57/02/21/570570221.db2.gz	IXKQNMDNOUFKDY-OAHLLOKOSA-N	-1	0	383.452	1.756	40	30		GDEBRM
Cc1cccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101312384	524530831	/nfs/dbraw/zinc/53/08/31/524530831.db2.gz	QHHDSFQRQODTSD-NIQMNWOISA-N	-1	0	396.490	1.851	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1	ZINC000101304138	526441796	/nfs/dbraw/zinc/44/17/96/526441796.db2.gz	FSSCBOFIXVJFHW-WBWGMUNBSA-N	-1	0	383.882	1.851	40	30		GDEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000045867902	570931204	/nfs/dbraw/zinc/93/12/04/570931204.db2.gz	ZXQODVVTXRXYAK-UHFFFAOYSA-N	-1	0	394.474	1.807	40	30		GDEBRM
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)C2=O)cc1	ZINC000580048943	968470977	/nfs/dbraw/zinc/47/09/77/968470977.db2.gz	XZXHOYQRQXLUNN-IRXDYDNUSA-N	-1	0	384.436	1.555	40	30		GDEBRM
CC(=O)c1cccc(NC(=O)C([O-])=C([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1	ZINC000001626692	206386596	/nfs/dbraw/zinc/38/65/96/206386596.db2.gz	FHIIDMKDHKACGC-WBVHZDCISA-N	-1	0	382.328	1.954	40	30		GDEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)s1	ZINC000224276320	519090814	/nfs/dbraw/zinc/09/08/14/519090814.db2.gz	ZJECOZKPXMDTBJ-UHFFFAOYSA-N	-1	0	392.513	1.817	40	30		GDEBRM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101312373	524531014	/nfs/dbraw/zinc/53/10/14/524531014.db2.gz	KHBXVJFYMHUZKH-NOTNZGAASA-N	-1	0	382.463	1.461	40	30		GDEBRM
CC(=NN1CN([C@H](C)C(=O)[O-])P(Nc2nc[nH]n2)N=C1N)c1cccs1	ZINC000301054455	526387198	/nfs/dbraw/zinc/38/71/98/526387198.db2.gz	RAAZIELLPSQQFY-BZCLYOCNSA-N	-1	0	395.389	1.502	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1	ZINC000101300374	527571188	/nfs/dbraw/zinc/57/11/88/527571188.db2.gz	RXPYKQHMYVQWJP-CGDQWCRFSA-N	-1	0	386.426	1.292	40	30		GDEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)CC)s1	ZINC000225081041	570451622	/nfs/dbraw/zinc/45/16/22/570451622.db2.gz	SRXMLBMPYJXJRI-UHFFFAOYSA-N	-1	0	395.466	1.603	40	30		GDEBRM
Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2ccc(C#N)cc2)N(C)[S@](=O)([O-])=N1	ZINC000585177436	570714549	/nfs/dbraw/zinc/71/45/49/570714549.db2.gz	MJKXDCHUYLUNPV-HOTGVXAUSA-N	-1	0	388.453	1.840	40	30		GDEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNNc1ccc([N+](=O)[O-])cn1	ZINC000408740559	231109513	/nfs/dbraw/zinc/10/95/13/231109513.db2.gz	LMRBZBFJLAUUJH-KBSHCFNASA-N	-1	0	384.377	1.452	40	30		GDEBRM
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000021010380	207225101	/nfs/dbraw/zinc/22/51/01/207225101.db2.gz	YGVNBMDMGMSKPC-OAHLLOKOSA-N	-1	0	394.478	1.532	40	30		GDEBRM
CCOc1c(I)cc(CN=Nc2nnn[n-]2)cc1OC	ZINC000036476552	520609563	/nfs/dbraw/zinc/60/95/63/520609563.db2.gz	XTSQAWQXVFAGLI-MLPAPPSSSA-N	-1	0	388.169	1.658	40	30		GDEBRM
Cc1ccccc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101312026	525219916	/nfs/dbraw/zinc/21/99/16/525219916.db2.gz	PASYZGPMWNMCDS-NIQMNWOISA-N	-1	0	396.490	1.851	40	30		GDEBRM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101313364	526137689	/nfs/dbraw/zinc/13/76/89/526137689.db2.gz	XHKPOVXZQQQNEJ-NOTNZGAASA-N	-1	0	398.462	1.161	40	30		GDEBRM
N#CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000224834598	526481397	/nfs/dbraw/zinc/48/13/97/526481397.db2.gz	BUZPQESJDQCETO-UHFFFAOYSA-N	-1	0	388.401	1.804	40	30		GDEBRM
C=CCc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408918765	527228957	/nfs/dbraw/zinc/22/89/57/527228957.db2.gz	OSUHXUJWSWZKHX-KPKJPENVSA-N	-1	0	390.417	1.144	40	30		GDEBRM
COc1ccc(C(=O)NC(=S)[N-]n2c(C)nnc2SC)cc1[N+](=O)[O-]	ZINC000033597944	530612503	/nfs/dbraw/zinc/61/25/03/530612503.db2.gz	OIFJSGOCWBNKSE-UHFFFAOYSA-N	-1	0	382.427	1.895	40	30		GDEBRM
COC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C([O-])[C@@H](O)[C@@]1(C)OC	ZINC000031160746	521755044	/nfs/dbraw/zinc/75/50/44/521755044.db2.gz	GJGRGJCMJUMZKN-ZIFCJYIRSA-N	-1	0	380.393	1.724	40	30	biogenic,in-vitro	GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1	ZINC000101313915	526441531	/nfs/dbraw/zinc/44/15/31/526441531.db2.gz	RCCBJMJEXCKFMM-CGXJIKNUSA-N	-1	0	387.845	1.994	40	30		GDEBRM
C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409092502	527227456	/nfs/dbraw/zinc/22/74/56/527227456.db2.gz	WMDNVCYTQQGONU-RIYZIHGNSA-N	-1	0	390.417	1.994	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1	ZINC000101300386	527570277	/nfs/dbraw/zinc/57/02/77/527570277.db2.gz	RXPYKQHMYVQWJP-CQXJFRPQSA-N	-1	0	386.426	1.292	40	30		GDEBRM
C[C@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409349882	231194338	/nfs/dbraw/zinc/19/43/38/231194338.db2.gz	RCPVKTOCGJLRCT-LBPRGKRZSA-N	-1	0	396.403	1.902	40	30		GDEBRM
C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1/C(=N/[O-])c1nonc1N	ZINC000100927265	136189386	/nfs/dbraw/zinc/18/93/86/136189386.db2.gz	NNRKAJUUXFMTHC-CGKMWGNMSA-N	-1	0	381.780	1.560	40	30		GDEBRM
COc1cc(C=NNc2cn[nH]c(=O)c2Br)cc([N+](=O)[O-])c1[O-]	ZINC000096300401	522008631	/nfs/dbraw/zinc/00/86/31/522008631.db2.gz	JFTNGADTIDYFIA-CPSFFCFKSA-N	-1	0	384.146	1.601	40	30		GDEBRM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101318701	524380735	/nfs/dbraw/zinc/38/07/35/524380735.db2.gz	YNYXOECITLAEJL-AHIOURIWSA-N	-1	0	398.462	1.161	40	30		GDEBRM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101301708	524426287	/nfs/dbraw/zinc/42/62/87/524426287.db2.gz	BUBUUNFEPMMWNW-WTIFFKHKSA-N	-1	0	396.490	1.457	40	30		GDEBRM
Cc1cccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101312385	524532220	/nfs/dbraw/zinc/53/22/20/524532220.db2.gz	QHHDSFQRQODTSD-RUIRWZRLSA-N	-1	0	396.490	1.851	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl	ZINC000101303075	526441433	/nfs/dbraw/zinc/44/14/33/526441433.db2.gz	UBTMIXLDSJMPLK-WBWGMUNBSA-N	-1	0	383.882	1.851	40	30		GDEBRM
NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=N[N-]c2nccs2)C1=O	ZINC000101477101	527109713	/nfs/dbraw/zinc/10/97/13/527109713.db2.gz	RQVYTVINVKYPOG-MHWRWJLKSA-N	-1	0	375.395	1.309	40	30		GDEBRM
COC(=O)[C@@]1(CC(=O)c2c(C)[nH]c3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006483565	570481610	/nfs/dbraw/zinc/48/16/10/570481610.db2.gz	OTOOVAIQKWCUNI-ZMZPIMSZSA-N	-1	0	384.417	1.105	40	30		GDEBRM
O=C([O-])COc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1[N+](=O)[O-]	ZINC000409351712	231194368	/nfs/dbraw/zinc/19/43/68/231194368.db2.gz	AHHTYPLBRQMWIW-UHFFFAOYSA-N	-1	0	384.304	1.356	40	30		GDEBRM
COc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101306854	524533409	/nfs/dbraw/zinc/53/34/09/524533409.db2.gz	AUMBORIDHZCVAU-JUZOZWJJSA-N	-1	0	398.462	1.161	40	30		GDEBRM
Cc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101312020	525220096	/nfs/dbraw/zinc/22/00/96/525220096.db2.gz	IDCWOWVYIGVCPF-MSPKJWORSA-N	-1	0	382.463	1.461	40	30		GDEBRM
C=CCN1C(=O)/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409221029	526389789	/nfs/dbraw/zinc/38/97/89/526389789.db2.gz	JPQAUJRLTARAMV-JMZICWNOSA-N	-1	0	390.417	1.360	40	30		GDEBRM
Cc1nn2c(nnc3c(=O)n([C@H](CS)C(=O)[O-])ccc32)c1-c1ccccc1	ZINC000040390996	526313436	/nfs/dbraw/zinc/31/34/36/526313436.db2.gz	CMOSWCHGAVSIOL-CYBMUJFWSA-N	-1	0	381.417	1.970	40	30		GDEBRM
C=CCN1C(=O)/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409221030	526390094	/nfs/dbraw/zinc/39/00/94/526390094.db2.gz	JPQAUJRLTARAMV-WJEYQPDNSA-N	-1	0	390.417	1.360	40	30		GDEBRM
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2ccc(C#N)cc2)N(C)[S@](=O)([O-])=N1	ZINC000585177437	570714623	/nfs/dbraw/zinc/71/46/23/570714623.db2.gz	MJKXDCHUYLUNPV-JKSUJKDBSA-N	-1	0	388.453	1.840	40	30		GDEBRM
Cc1cc(C)c(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1	ZINC000001422599	206380732	/nfs/dbraw/zinc/38/07/32/206380732.db2.gz	UAEXOTUMXRTFIH-UHFFFAOYSA-N	-1	0	398.444	1.527	40	30		GDEBRM
NS(=O)(=O)c1ccc(NC(=S)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1	ZINC000005672771	206623622	/nfs/dbraw/zinc/62/36/22/206623622.db2.gz	MTEAPQJRNVJOCS-UONOGXRCSA-N	-1	0	395.462	1.219	40	30		GDEBRM
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409353670	533717870	/nfs/dbraw/zinc/71/78/70/533717870.db2.gz	PICLNKUXYCSPBP-UHFFFAOYSA-N	-1	0	399.359	1.465	40	30		GDEBRM
COc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101306858	524533935	/nfs/dbraw/zinc/53/39/35/524533935.db2.gz	AUMBORIDHZCVAU-LYLMFYLZSA-N	-1	0	398.462	1.161	40	30		GDEBRM
CS(=O)(=O)c1ccc(/C=N/[C@H](C(=O)[O-])[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000033770515	525241912	/nfs/dbraw/zinc/24/19/12/525241912.db2.gz	SXLDNYFTIRUKSN-ZJURKNROSA-N	-1	0	392.389	1.604	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1	ZINC000101306469	527574886	/nfs/dbraw/zinc/57/48/86/527574886.db2.gz	RKIPDIXMZGTWPU-NIQMNWOISA-N	-1	0	396.490	1.539	40	30		GDEBRM
O=c1nncc(NN=Cc2cc(Br)c([O-])c(Br)c2)[nH]1	ZINC000003946756	530534986	/nfs/dbraw/zinc/53/49/86/530534986.db2.gz	SKNYGFFFTMNAMF-QLKAYGNNSA-N	-1	0	389.007	1.842	40	30		GDEBRM
O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccccc1)C(Cl)(Cl)Cl	ZINC000005899371	530540607	/nfs/dbraw/zinc/54/06/07/530540607.db2.gz	PVLZUHCHSUUXJQ-AVRRBSPVSA-N	-1	0	383.684	1.758	40	30		GDEBRM
C=C(C)C(=O)Nc1cccc(S(=O)(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000033506722	518587972	/nfs/dbraw/zinc/58/79/72/518587972.db2.gz	LKJBBQAYNVHSJH-UHFFFAOYSA-N	-1	0	380.447	1.868	40	30		GDEBRM
N#CCN1CCC[C@H]1c1ccnc([N-]c2nc(C(=O)Nn3cnnc3)cs2)n1	ZINC000585295049	570275286	/nfs/dbraw/zinc/27/52/86/570275286.db2.gz	YJBLFUMPKQJOLS-ZDUSSCGKSA-N	-1	0	396.440	1.313	40	30		GDEBRM
N#CCN1CCC[C@@H]1c1ccnc([N-]c2nc(C(=O)Nn3cnnc3)cs2)n1	ZINC000585295048	570275291	/nfs/dbraw/zinc/27/52/91/570275291.db2.gz	YJBLFUMPKQJOLS-CYBMUJFWSA-N	-1	0	396.440	1.313	40	30		GDEBRM
COC(=O)[C@]1(CC(=O)c2cccc3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006385058	570478591	/nfs/dbraw/zinc/47/85/91/570478591.db2.gz	HZJXTDVPFALGPN-AUUYWEPGSA-N	-1	0	381.413	1.468	40	30		GDEBRM
COC(=O)N=S(=O)([O-])c1ccc(CCNC(=O)c2cnc(C)cn2)cc1	ZINC000077303183	522735457	/nfs/dbraw/zinc/73/54/57/522735457.db2.gz	LCIIQNPZVOQTFS-UHFFFAOYSA-N	-1	0	378.410	1.007	40	30	in-vitro	GDEBRM
Cc1ccccc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101312024	525219027	/nfs/dbraw/zinc/21/90/27/525219027.db2.gz	PASYZGPMWNMCDS-WTIFFKHKSA-N	-1	0	396.490	1.851	40	30		GDEBRM
CC(=NN1CN([C@@H](C)C(=O)[O-])P(Nc2nc[nH]n2)N=C1N)c1cccs1	ZINC000301054456	526386550	/nfs/dbraw/zinc/38/65/50/526386550.db2.gz	RAAZIELLPSQQFY-FEOHOUMNSA-N	-1	0	395.389	1.502	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F	ZINC000101306000	527571213	/nfs/dbraw/zinc/57/12/13/527571213.db2.gz	AFXWRROZXQSVPQ-VPRNNGAHSA-N	-1	0	386.426	1.292	40	30		GDEBRM
CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)ccc1OCC(=O)[O-]	ZINC000409340847	528256919	/nfs/dbraw/zinc/25/69/19/528256919.db2.gz	BHNCGWKACQNPJB-UHFFFAOYSA-N	-1	0	383.360	1.846	40	30		GDEBRM
COc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1C(=O)[O-]	ZINC000226856950	570461886	/nfs/dbraw/zinc/46/18/86/570461886.db2.gz	KVNRBXRVPPMKOF-UHFFFAOYSA-N	-1	0	377.330	1.310	40	30		GDEBRM
C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000575426196	532014216	/nfs/dbraw/zinc/01/42/16/532014216.db2.gz	OGPQPZZAGGZIIY-NSHDSACASA-N	-1	0	393.870	1.402	40	30		GDEBRM
C[C@]12CC[C@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000004062211	208533883	/nfs/dbraw/zinc/53/38/83/208533883.db2.gz	HXNCOPXZMVYOSZ-NTIWQQFRSA-N	-1	0	375.421	1.843	40	30		GDEBRM
Cc1cccc(C)c1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000016741186	524264957	/nfs/dbraw/zinc/26/49/57/524264957.db2.gz	UBLPYNPCMYBTTP-XXBNCTKJSA-N	-1	0	396.490	1.770	40	30		GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101305575	524915759	/nfs/dbraw/zinc/91/57/59/524915759.db2.gz	DQKWHGDPAYCWFO-AHIOURIWSA-N	-1	0	382.463	1.461	40	30		GDEBRM
O=C1c2ccccc2C(=O)N1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408742805	534849681	/nfs/dbraw/zinc/84/96/81/534849681.db2.gz	YGGPVEWAHBDUNZ-ANKPHQHTSA-N	-1	0	392.396	1.333	40	30		GDEBRM
C=CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000409131374	526405089	/nfs/dbraw/zinc/40/50/89/526405089.db2.gz	VPMIQPGRQXKBDP-YRNVUSSQSA-N	-1	0	381.182	1.991	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1	ZINC000101315180	526441513	/nfs/dbraw/zinc/44/15/13/526441513.db2.gz	VIEIDCJKHUSWAI-XVHVMQSESA-N	-1	0	387.845	1.994	40	30		GDEBRM
COc1cccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409347193	533443274	/nfs/dbraw/zinc/44/32/74/533443274.db2.gz	NBKINIMCBJWMAP-LLVKDONJSA-N	-1	0	383.360	1.845	40	30		GDEBRM
CS(=O)(=O)c1ccc(/C=N/[C@H](C(=O)[O-])[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000033770517	525240648	/nfs/dbraw/zinc/24/06/48/525240648.db2.gz	SXLDNYFTIRUKSN-CDVYCHGGSA-N	-1	0	392.389	1.604	40	30		GDEBRM
C#CCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000113855359	527086230	/nfs/dbraw/zinc/08/62/30/527086230.db2.gz	KBNMSGUCJZFQSY-UHFFFAOYSA-N	-1	0	379.166	1.219	40	30		GDEBRM
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000408592675	527086347	/nfs/dbraw/zinc/08/63/47/527086347.db2.gz	NIYZDJMDMLDCKW-KPKJPENVSA-N	-1	0	378.768	1.728	40	30		GDEBRM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101312901	524120237	/nfs/dbraw/zinc/12/02/37/524120237.db2.gz	OHZRKQBKOZZWKX-AUVQNDJMSA-N	-1	0	396.490	1.770	40	30		GDEBRM
C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409070337	527234391	/nfs/dbraw/zinc/23/43/91/527234391.db2.gz	FMSVDVYQUWLAOV-UHFFFAOYSA-N	-1	0	390.417	1.192	40	30		GDEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNNc1ccc([N+](=O)[O-])cn1	ZINC000408740552	231109704	/nfs/dbraw/zinc/10/97/04/231109704.db2.gz	LMRBZBFJLAUUJH-BEAUZRKQSA-N	-1	0	384.377	1.452	40	30		GDEBRM
COC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C([O-])[C@H](O)[C@@]1(C)OC	ZINC000031160753	521754884	/nfs/dbraw/zinc/75/48/84/521754884.db2.gz	GJGRGJCMJUMZKN-JENIJYKNSA-N	-1	0	380.393	1.724	40	30	biogenic,in-vitro	GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101305563	524917134	/nfs/dbraw/zinc/91/71/34/524917134.db2.gz	DQKWHGDPAYCWFO-MSPKJWORSA-N	-1	0	382.463	1.461	40	30		GDEBRM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101313362	526137743	/nfs/dbraw/zinc/13/77/43/526137743.db2.gz	XHKPOVXZQQQNEJ-MSPKJWORSA-N	-1	0	398.462	1.161	40	30		GDEBRM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101312892	524119829	/nfs/dbraw/zinc/11/98/29/524119829.db2.gz	OHZRKQBKOZZWKX-WTIFFKHKSA-N	-1	0	396.490	1.770	40	30		GDEBRM
Cc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101305586	524916734	/nfs/dbraw/zinc/91/67/34/524916734.db2.gz	FUQJMLPIRTXVCY-RUIRWZRLSA-N	-1	0	396.490	1.851	40	30		GDEBRM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1C	ZINC000004486159	570377701	/nfs/dbraw/zinc/37/77/01/570377701.db2.gz	PSPFRARJZKVUAV-YQTDRKPDSA-N	-1	0	396.490	1.770	40	30		GDEBRM
Cc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101312021	525218685	/nfs/dbraw/zinc/21/86/85/525218685.db2.gz	IDCWOWVYIGVCPF-NOTNZGAASA-N	-1	0	382.463	1.461	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1	ZINC000101304155	526441720	/nfs/dbraw/zinc/44/17/20/526441720.db2.gz	FSSCBOFIXVJFHW-INGRWJPNSA-N	-1	0	383.882	1.851	40	30		GDEBRM
N#CC1=C([O-])NC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)=NC12CCCC2	ZINC000014163127	570878653	/nfs/dbraw/zinc/87/86/53/570878653.db2.gz	OCLPCYBWUCVIEO-MRXNPFEDSA-N	-1	0	395.463	1.471	40	30		GDEBRM
C[C@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409347004	231193487	/nfs/dbraw/zinc/19/34/87/231193487.db2.gz	MZHSLFCOLKJBDT-JTQLQIEISA-N	-1	0	398.331	1.744	40	30		GDEBRM
CN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OCC(=O)[O-])c1	ZINC000409360382	529779344	/nfs/dbraw/zinc/77/93/44/529779344.db2.gz	PMCKWUSUFITFIY-UHFFFAOYSA-N	-1	0	382.376	1.514	40	30		GDEBRM
CC(=O)c1cccc(NC(=O)C([O-])=C([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1	ZINC000001626691	209333696	/nfs/dbraw/zinc/33/36/96/209333696.db2.gz	FHIIDMKDHKACGC-RDJZCZTQSA-N	-1	0	382.328	1.954	40	30		GDEBRM
Cc1cccc(C)c1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000016741185	524264154	/nfs/dbraw/zinc/26/41/54/524264154.db2.gz	UBLPYNPCMYBTTP-UAUZXULISA-N	-1	0	396.490	1.770	40	30		GDEBRM
COc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000101306863	524533069	/nfs/dbraw/zinc/53/30/69/524533069.db2.gz	AUMBORIDHZCVAU-ZCVVHXNJSA-N	-1	0	398.462	1.161	40	30		GDEBRM
O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccncc1)C(Cl)(Cl)Cl	ZINC000005906267	530540147	/nfs/dbraw/zinc/54/01/47/530540147.db2.gz	KMHVVTHQKCNCOX-URMSCQBDSA-N	-1	0	384.672	1.153	40	30		GDEBRM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1	ZINC000226860862	531032185	/nfs/dbraw/zinc/03/21/85/531032185.db2.gz	IERCIQCUJYELHH-UHFFFAOYSA-N	-1	0	381.749	1.955	40	30		GDEBRM
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000021010382	210374733	/nfs/dbraw/zinc/37/47/33/210374733.db2.gz	YGVNBMDMGMSKPC-HNNXBMFYSA-N	-1	0	394.478	1.532	40	30		GDEBRM
N#CCOc1ccc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000006224390	530541353	/nfs/dbraw/zinc/54/13/53/530541353.db2.gz	ZKYNMHNFHOXSDN-HNQUOIGGSA-N	-1	0	393.153	1.807	40	30		GDEBRM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101309331	524411103	/nfs/dbraw/zinc/41/11/03/524411103.db2.gz	SNKVUXSWSCACJA-NIQMNWOISA-N	-1	0	396.490	1.770	40	30		GDEBRM
COC(=O)[C@@]1(CC(=O)c2c(C)[nH]c3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006483566	570481462	/nfs/dbraw/zinc/48/14/62/570481462.db2.gz	OTOOVAIQKWCUNI-VOJFVSQTSA-N	-1	0	384.417	1.105	40	30		GDEBRM
C[C@@H](Oc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000409348885	533916732	/nfs/dbraw/zinc/91/67/32/533916732.db2.gz	PTLYNBOYUUEXNL-SNVBAGLBSA-N	-1	0	398.331	1.744	40	30		GDEBRM
Cc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101305594	524916615	/nfs/dbraw/zinc/91/66/15/524916615.db2.gz	FUQJMLPIRTXVCY-AUVQNDJMSA-N	-1	0	396.490	1.851	40	30		GDEBRM
N#Cc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(C(N)=S)c1=O	ZINC000101425370	526740611	/nfs/dbraw/zinc/74/06/11/526740611.db2.gz	GMJXABWTVRKXFS-QNGOZBTKSA-N	-1	0	393.388	1.724	40	30		GDEBRM
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1	ZINC000005672775	570450930	/nfs/dbraw/zinc/45/09/30/570450930.db2.gz	MTEAPQJRNVJOCS-ZIAGYGMSSA-N	-1	0	395.462	1.219	40	30		GDEBRM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000004062213	570614708	/nfs/dbraw/zinc/61/47/08/570614708.db2.gz	HXNCOPXZMVYOSZ-WJHISOIHSA-N	-1	0	375.421	1.843	40	30		GDEBRM
N#CC1=C([O-])NC(N2CCN(C(=O)c3ccco3)CC2)=NC12CCCCCC2	ZINC000010385598	570790136	/nfs/dbraw/zinc/79/01/36/570790136.db2.gz	IXKQNMDNOUFKDY-HNNXBMFYSA-N	-1	0	383.452	1.756	40	30		GDEBRM
CCNC(=S)N/N=C/c1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC000006891527	530542741	/nfs/dbraw/zinc/54/27/41/530542741.db2.gz	KQRVFHGLBYVJRP-OMCISZLKSA-N	-1	0	390.259	1.739	40	30		GDEBRM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101312896	524119758	/nfs/dbraw/zinc/11/97/58/524119758.db2.gz	OHZRKQBKOZZWKX-NIQMNWOISA-N	-1	0	396.490	1.770	40	30		GDEBRM
Cc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101305579	524916170	/nfs/dbraw/zinc/91/61/70/524916170.db2.gz	FUQJMLPIRTXVCY-WTIFFKHKSA-N	-1	0	396.490	1.851	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	ZINC000101310858	527575508	/nfs/dbraw/zinc/57/55/08/527575508.db2.gz	CBUFSKLAOUSFDV-MSPKJWORSA-N	-1	0	382.463	1.543	40	30		GDEBRM
N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](CC(=O)[O-])C3)C2=O)cc1	ZINC000580048944	968470744	/nfs/dbraw/zinc/47/07/44/968470744.db2.gz	XZXHOYQRQXLUNN-SJORKVTESA-N	-1	0	384.436	1.555	40	30		GDEBRM
Cc1cccc(C)c1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000016741183	524264791	/nfs/dbraw/zinc/26/47/91/524264791.db2.gz	UBLPYNPCMYBTTP-JYHYZPMDSA-N	-1	0	396.490	1.770	40	30		GDEBRM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101309330	524411089	/nfs/dbraw/zinc/41/10/89/524411089.db2.gz	SNKVUXSWSCACJA-WTIFFKHKSA-N	-1	0	396.490	1.770	40	30		GDEBRM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101312379	524531667	/nfs/dbraw/zinc/53/16/67/524531667.db2.gz	KHBXVJFYMHUZKH-AHIOURIWSA-N	-1	0	382.463	1.461	40	30		GDEBRM
C=CCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588226844	570745285	/nfs/dbraw/zinc/74/52/85/570745285.db2.gz	CQTGBXGWPWMXMW-GOSISDBHSA-N	-1	0	376.441	1.259	40	30		GDEBRM
Nn1cnnc1N=NCc1cc(Br)c([O-])c(Br)c1O	ZINC000006828392	530543225	/nfs/dbraw/zinc/54/32/25/530543225.db2.gz	ODKTYXPPBOMMHC-XNJYKOPJSA-N	-1	0	392.011	1.374	40	30		GDEBRM
C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575426368	532013479	/nfs/dbraw/zinc/01/34/79/532013479.db2.gz	SBKRWFWDAPIINM-INIZCTEOSA-N	-1	0	387.479	1.447	40	30		GDEBRM
COC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)NC(=S)NC([O-])=C1C#N	ZINC000006385057	209646571	/nfs/dbraw/zinc/64/65/71/209646571.db2.gz	AQCJSIUHOJTODK-AUUYWEPGSA-N	-1	0	381.413	1.468	40	30		GDEBRM
C=CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)c2c([nH][nH]c2=O)C[C@]1(C)O	ZINC000004908809	209140008	/nfs/dbraw/zinc/14/00/08/209140008.db2.gz	NELMRGRKUOASIK-MDYRTPRTSA-N	-1	0	388.420	1.917	40	30		GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C	ZINC000101318103	524915741	/nfs/dbraw/zinc/91/57/41/524915741.db2.gz	LSLMRKMLBAVUBU-NIQMNWOISA-N	-1	0	396.490	1.770	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F	ZINC000101305995	527571946	/nfs/dbraw/zinc/57/19/46/527571946.db2.gz	AFXWRROZXQSVPQ-CGDQWCRFSA-N	-1	0	386.426	1.292	40	30		GDEBRM
COC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)NC(=S)NC([O-])=C1C#N	ZINC000006385086	570478585	/nfs/dbraw/zinc/47/85/85/570478585.db2.gz	AQCJSIUHOJTODK-IFXJQAMLSA-N	-1	0	381.413	1.468	40	30		GDEBRM
Cn1c2nc(NN=Cc3ccc(Br)cc3)[n-]c2c(=O)n(C)c1=O	ZINC000031647444	530603045	/nfs/dbraw/zinc/60/30/45/530603045.db2.gz	SEUBGVBXLVAUHR-APSNUPSMSA-N	-1	0	377.202	1.169	40	30		GDEBRM
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409347009	533938191	/nfs/dbraw/zinc/93/81/91/533938191.db2.gz	MZHSLFCOLKJBDT-SNVBAGLBSA-N	-1	0	398.331	1.744	40	30		GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1C	ZINC000101318100	524916314	/nfs/dbraw/zinc/91/63/14/524916314.db2.gz	LSLMRKMLBAVUBU-WTIFFKHKSA-N	-1	0	396.490	1.770	40	30		GDEBRM
C=CCN1C(=O)N/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409142841	526405863	/nfs/dbraw/zinc/40/58/63/526405863.db2.gz	BPOAZDSTMCGZKU-YRNVUSSQSA-N	-1	0	381.182	1.991	40	30		GDEBRM
N#CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000224751898	526482001	/nfs/dbraw/zinc/48/20/01/526482001.db2.gz	ITONPZBMZAOPKN-UHFFFAOYSA-N	-1	0	375.362	1.941	40	30		GDEBRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(I)c1OCC#N	ZINC000002770690	212062716	/nfs/dbraw/zinc/06/27/16/212062716.db2.gz	UCIUQTNPNWBEKJ-UITAMQMPSA-N	-1	0	399.144	1.382	40	30		GDEBRM
COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C([O-])[C@@H](O)[C@@]1(C)OC	ZINC000031160742	521755166	/nfs/dbraw/zinc/75/51/66/521755166.db2.gz	GJGRGJCMJUMZKN-ZHALLVOQSA-N	-1	0	380.393	1.724	40	30	biogenic,in-vitro	GDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1	ZINC000101300377	527571259	/nfs/dbraw/zinc/57/12/59/527571259.db2.gz	RXPYKQHMYVQWJP-VPRNNGAHSA-N	-1	0	386.426	1.292	40	30		GDEBRM
N#CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000225005613	570543041	/nfs/dbraw/zinc/54/30/41/570543041.db2.gz	BOFILXLGRKYKQC-UHFFFAOYSA-N	-1	0	375.362	1.941	40	30		GDEBRM
CC(=O)c1cccc(NC(=O)C([O-])=C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1	ZINC000001626689	209334057	/nfs/dbraw/zinc/33/40/57/209334057.db2.gz	FHIIDMKDHKACGC-DOTOQJQBSA-N	-1	0	382.328	1.954	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	ZINC000101310860	527575500	/nfs/dbraw/zinc/57/55/00/527575500.db2.gz	CBUFSKLAOUSFDV-NOTNZGAASA-N	-1	0	382.463	1.543	40	30		GDEBRM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1C	ZINC000004486161	570377725	/nfs/dbraw/zinc/37/77/25/570377725.db2.gz	PSPFRARJZKVUAV-NERIXLHVSA-N	-1	0	396.490	1.770	40	30		GDEBRM
NS(=O)(=O)c1ccc(NC(=S)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1	ZINC000005672745	570450911	/nfs/dbraw/zinc/45/09/11/570450911.db2.gz	MTEAPQJRNVJOCS-KBPBESRZSA-N	-1	0	395.462	1.219	40	30		GDEBRM
N#CC1=C([O-])NC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)=NC12CCCC2	ZINC000014163131	570878530	/nfs/dbraw/zinc/87/85/30/570878530.db2.gz	OCLPCYBWUCVIEO-INIZCTEOSA-N	-1	0	395.463	1.471	40	30		GDEBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC#N	ZINC000408987004	533718807	/nfs/dbraw/zinc/71/88/07/533718807.db2.gz	UIXMQFLCBMUVJZ-UHFFFAOYSA-N	-1	0	380.154	1.109	40	30		GDEBRM
Cc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101305582	524916158	/nfs/dbraw/zinc/91/61/58/524916158.db2.gz	FUQJMLPIRTXVCY-NIQMNWOISA-N	-1	0	396.490	1.851	40	30		GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1C	ZINC000101318106	524917122	/nfs/dbraw/zinc/91/71/22/524917122.db2.gz	LSLMRKMLBAVUBU-RUIRWZRLSA-N	-1	0	396.490	1.770	40	30		GDEBRM
CS(=O)(=O)c1ccc(/C=N/[C@@H](C(=O)[O-])[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000033770516	525241749	/nfs/dbraw/zinc/24/17/49/525241749.db2.gz	SXLDNYFTIRUKSN-NLTVTKDGSA-N	-1	0	392.389	1.604	40	30		GDEBRM
CS(=O)(=O)c1ccc(/C=N/[C@@H](C(=O)[O-])[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000033770518	525242110	/nfs/dbraw/zinc/24/21/10/525242110.db2.gz	SXLDNYFTIRUKSN-DTEALPLXSA-N	-1	0	392.389	1.604	40	30		GDEBRM
O=C([O-])[C@H](CS)n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O	ZINC000040391482	526304736	/nfs/dbraw/zinc/30/47/36/526304736.db2.gz	BFCDWWIIZOJEQQ-ZDUSSCGKSA-N	-1	0	385.380	1.801	40	30		GDEBRM
COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C([O-])[C@@H](O)[C@]1(C)OC	ZINC000253388154	560039779	/nfs/dbraw/zinc/03/97/79/560039779.db2.gz	GJGRGJCMJUMZKN-LMMKCTJWSA-N	-1	0	380.393	1.724	40	30	biogenic,in-vitro	GDEBRM
Cc1ccc(S(=O)(=O)OCCN2C(=O)c3ccccc3C2=O)cc1C(=O)[O-]	ZINC000226858723	570461792	/nfs/dbraw/zinc/46/17/92/570461792.db2.gz	IFNNQKMUNUUCOS-UHFFFAOYSA-N	-1	0	389.385	1.695	40	30		GDEBRM
COC(=O)[C@]1(CC(=O)c2c(C)[nH]c3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006483561	570481354	/nfs/dbraw/zinc/48/13/54/570481354.db2.gz	OTOOVAIQKWCUNI-BBATYDOGSA-N	-1	0	384.417	1.105	40	30		GDEBRM
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](CC(=O)[O-])C3)C2=O)cc1	ZINC000580048942	968470805	/nfs/dbraw/zinc/47/08/05/968470805.db2.gz	XZXHOYQRQXLUNN-IAGOWNOFSA-N	-1	0	384.436	1.555	40	30		GDEBRM
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1/C(=N/[O-])c1nonc1N	ZINC000016609557	570928966	/nfs/dbraw/zinc/92/89/66/570928966.db2.gz	KJPHPUPBMFDWJM-GERUYDHFSA-N	-1	0	381.780	1.560	40	30		GDEBRM
C=C(C)C(=O)Nc1ccc(S(=O)(=O)[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000141057730	531122160	/nfs/dbraw/zinc/12/21/60/531122160.db2.gz	WRZKVURAFLYCAL-UHFFFAOYSA-N	-1	0	380.447	1.868	40	30		GDEBRM
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1	ZINC000005672750	209608725	/nfs/dbraw/zinc/60/87/25/209608725.db2.gz	MTEAPQJRNVJOCS-KGLIPLIRSA-N	-1	0	395.462	1.219	40	30		GDEBRM
COC(=O)c1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cc1	ZINC000005482941	570610863	/nfs/dbraw/zinc/61/08/63/570610863.db2.gz	DZYHXWOCTQJAEH-RCCKNPSSSA-N	-1	0	381.417	1.731	40	30		GDEBRM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1C	ZINC000004486160	220720693	/nfs/dbraw/zinc/72/06/93/220720693.db2.gz	PSPFRARJZKVUAV-IKZORZIJSA-N	-1	0	396.490	1.770	40	30		GDEBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1C#N	ZINC000113834680	533717328	/nfs/dbraw/zinc/71/73/28/533717328.db2.gz	ICZPIPHPSPTZOH-UHFFFAOYSA-N	-1	0	377.356	1.895	40	30		GDEBRM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101318694	524383569	/nfs/dbraw/zinc/38/35/69/524383569.db2.gz	YNYXOECITLAEJL-NOTNZGAASA-N	-1	0	398.462	1.161	40	30		GDEBRM
Cc1cccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101312381	524531445	/nfs/dbraw/zinc/53/14/45/524531445.db2.gz	QHHDSFQRQODTSD-WTIFFKHKSA-N	-1	0	396.490	1.851	40	30		GDEBRM
C[C@]12CC[C@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@H]3[C@H]1C[C@@H](O)[C@@H]2O	ZINC000105372171	525353923	/nfs/dbraw/zinc/35/39/23/525353923.db2.gz	HXNCOPXZMVYOSZ-PXSZLEHDSA-N	-1	0	375.421	1.843	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F	ZINC000101306013	527570720	/nfs/dbraw/zinc/57/07/20/527570720.db2.gz	AFXWRROZXQSVPQ-CQXJFRPQSA-N	-1	0	386.426	1.292	40	30		GDEBRM
CCOC(=O)Cn1c(C)c(C=Nn2c(=O)c(C)n[n-]c2=S)c2ccccc21	ZINC000408843093	528920564	/nfs/dbraw/zinc/92/05/64/528920564.db2.gz	QHHXCYPLGTYLGF-DJKKODMXSA-N	-1	0	385.449	1.944	40	30		GDEBRM
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OCC(=O)[O-]	ZINC000006030452	570464578	/nfs/dbraw/zinc/46/45/78/570464578.db2.gz	IRMNDSYRCDXIBX-VCHYOVAHSA-N	-1	0	378.406	1.779	40	30		GDEBRM
NC(=O)C(=NNc1ccc(S(=O)(=O)[O-])cc1)c1nc2ccccc2s1	ZINC000254558496	531093024	/nfs/dbraw/zinc/09/30/24/531093024.db2.gz	KFTPNYVGLCHUAR-UHFFFAOYSA-N	-1	0	376.419	1.845	40	30		GDEBRM
CN1C(=O)/C(=C\c2ccc(C(=O)N[C@@H](CS)C(=O)[O-])cc2)SC1=S	ZINC000005374742	220863416	/nfs/dbraw/zinc/86/34/16/220863416.db2.gz	XMFACCMFVLGFEJ-OTXQMUPVSA-N	-1	0	382.488	1.630	40	30		GDEBRM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101312376	524531234	/nfs/dbraw/zinc/53/12/34/524531234.db2.gz	KHBXVJFYMHUZKH-OCWZUINPSA-N	-1	0	382.463	1.461	40	30		GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101305566	524916490	/nfs/dbraw/zinc/91/64/90/524916490.db2.gz	DQKWHGDPAYCWFO-NOTNZGAASA-N	-1	0	382.463	1.461	40	30		GDEBRM
Cc1ccccc1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000101312023	525219513	/nfs/dbraw/zinc/21/95/13/525219513.db2.gz	IDCWOWVYIGVCPF-AHIOURIWSA-N	-1	0	382.463	1.461	40	30		GDEBRM
COC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)NC(=S)NC([O-])=C1C#N	ZINC000006384936	570478657	/nfs/dbraw/zinc/47/86/57/570478657.db2.gz	AQCJSIUHOJTODK-LIRRHRJNSA-N	-1	0	381.413	1.468	40	30		GDEBRM
O=C([N-][C@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccccc1)C(Cl)(Cl)Cl	ZINC000005899330	530540121	/nfs/dbraw/zinc/54/01/21/530540121.db2.gz	PVLZUHCHSUUXJQ-WJJKBSNQSA-N	-1	0	383.684	1.758	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1	ZINC000101313906	526441878	/nfs/dbraw/zinc/44/18/78/526441878.db2.gz	RCCBJMJEXCKFMM-BMIAZUDFSA-N	-1	0	387.845	1.994	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1	ZINC000101313919	526441978	/nfs/dbraw/zinc/44/19/78/526441978.db2.gz	RCCBJMJEXCKFMM-XVHVMQSESA-N	-1	0	387.845	1.994	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F	ZINC000101306005	527569634	/nfs/dbraw/zinc/56/96/34/527569634.db2.gz	AFXWRROZXQSVPQ-QIDLRVTFSA-N	-1	0	386.426	1.292	40	30		GDEBRM
C[C@]12CC[C@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O	ZINC000105372175	570305080	/nfs/dbraw/zinc/30/50/80/570305080.db2.gz	HXNCOPXZMVYOSZ-LPARCBQPSA-N	-1	0	375.421	1.843	40	30		GDEBRM
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	ZINC000002817715	570390855	/nfs/dbraw/zinc/39/08/55/570390855.db2.gz	LEEDAAQGAMPLNL-MJWAUXSNSA-N	-1	0	390.417	1.360	40	30		GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101305570	524916762	/nfs/dbraw/zinc/91/67/62/524916762.db2.gz	DQKWHGDPAYCWFO-OCWZUINPSA-N	-1	0	382.463	1.461	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1	ZINC000101315179	526441684	/nfs/dbraw/zinc/44/16/84/526441684.db2.gz	VIEIDCJKHUSWAI-CGXJIKNUSA-N	-1	0	387.845	1.994	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1	ZINC000101313911	526442094	/nfs/dbraw/zinc/44/20/94/526442094.db2.gz	RCCBJMJEXCKFMM-GWCPFFAYSA-N	-1	0	387.845	1.994	40	30		GDEBRM
C#CCOc1ccc(Br)cc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000408812242	527093500	/nfs/dbraw/zinc/09/35/00/527093500.db2.gz	OBFPVZONCDHBNK-LZYBPNLTSA-N	-1	0	379.239	1.892	40	30		GDEBRM
O=[N+]([O-])c1cc(/C=N\NS(=O)(=O)c2ccc(F)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000104275665	570300446	/nfs/dbraw/zinc/30/04/46/570300446.db2.gz	ZVJHJBWCLSDDOX-CHHVJCJISA-N	-1	0	384.301	1.660	40	30		GDEBRM
CCNC(=S)N/N=C/c1cc([N+](=O)[O-])cc(I)c1[O-]	ZINC000006594453	530542146	/nfs/dbraw/zinc/54/21/46/530542146.db2.gz	NGMKZRUWEPGKGW-WLRTZDKTSA-N	-1	0	394.194	1.723	40	30		GDEBRM
Cc1ccc(S(=O)(=O)N/N=C2\C(=O)Nc3cc(O)c(C(=O)[O-])cc32)cc1	ZINC000001631095	212252463	/nfs/dbraw/zinc/25/24/63/212252463.db2.gz	DEDQMXXUHVKGKX-UHFFFAOYSA-N	-1	0	375.362	1.034	40	30	in-vitro	GDEBRM
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	ZINC000002817717	570395658	/nfs/dbraw/zinc/39/56/58/570395658.db2.gz	LEEDAAQGAMPLNL-ZDIKFAODSA-N	-1	0	390.417	1.360	40	30		GDEBRM
Cc1ccc(N/N=C2\C(=O)NN=C2c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000100353815	231006201	/nfs/dbraw/zinc/00/62/01/231006201.db2.gz	VUQQJEYNUDOOMD-UHFFFAOYSA-N	-1	0	375.388	1.855	40	30		GDEBRM
O=C(NC(=S)N[N-]S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000002690730	220551742	/nfs/dbraw/zinc/55/17/42/220551742.db2.gz	DLJHVDJRINGPTR-UHFFFAOYSA-N	-1	0	380.407	1.504	40	30		GDEBRM
COC(=O)[C@@]1(CC(=O)c2cccc3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006384909	523837752	/nfs/dbraw/zinc/83/77/52/523837752.db2.gz	HZJXTDVPFALGPN-KUHUBIRLSA-N	-1	0	381.413	1.468	40	30		GDEBRM
COc1nc(Oc2cccc(C=NNc3nnn[n-]3)c2)nc(N2CCCCC2)n1	ZINC000016248192	524987460	/nfs/dbraw/zinc/98/74/60/524987460.db2.gz	ZNFRRRSGTNGLIB-WOJGMQOQSA-N	-1	0	396.415	1.622	40	30		GDEBRM
C=CCc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408846269	527234827	/nfs/dbraw/zinc/23/48/27/527234827.db2.gz	IDWKHSGTTMWCAU-UHFFFAOYSA-N	-1	0	388.376	1.321	40	30		GDEBRM
C=CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)NC1=S	ZINC000005661033	212081706	/nfs/dbraw/zinc/08/17/06/212081706.db2.gz	NMGFQMMLCYSCAY-UITAMQMPSA-N	-1	0	397.250	1.976	40	30		GDEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCC#N	ZINC000409373578	533472758	/nfs/dbraw/zinc/47/27/58/533472758.db2.gz	VDNKFAXBZKJNNH-NTEUORMPSA-N	-1	0	381.344	1.853	40	30		GDEBRM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101312898	524119519	/nfs/dbraw/zinc/11/95/19/524119519.db2.gz	OHZRKQBKOZZWKX-RUIRWZRLSA-N	-1	0	396.490	1.770	40	30		GDEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409351825	231195065	/nfs/dbraw/zinc/19/50/65/231195065.db2.gz	BBSDYHWGKJRSAQ-JTQLQIEISA-N	-1	0	398.331	1.744	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1	ZINC000101304143	526441641	/nfs/dbraw/zinc/44/16/41/526441641.db2.gz	FSSCBOFIXVJFHW-PTTFWAKNSA-N	-1	0	383.882	1.851	40	30		GDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000101309654	527571733	/nfs/dbraw/zinc/57/17/33/527571733.db2.gz	NDPFBDDYAOCBGQ-YCJXXJCESA-N	-1	0	386.495	1.137	40	30		GDEBRM
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000035185453	570550115	/nfs/dbraw/zinc/55/01/15/570550115.db2.gz	MHPBZJXNUTXXMS-CXUHLZMHSA-N	-1	0	378.366	1.571	40	30		GDEBRM
CC(=O)[N-]S(=O)(=O)c1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1	ZINC000038784117	221884468	/nfs/dbraw/zinc/88/44/68/221884468.db2.gz	KTCSVDZKNGSIPX-UHFFFAOYSA-N	-1	0	384.377	1.094	40	30		GDEBRM
C=CCN1C(=O)C(=O)N(/N=C(\C)c2c([O-])c3ccccc3n(C)c2=O)C1=S	ZINC000101513904	518833945	/nfs/dbraw/zinc/83/39/45/518833945.db2.gz	FZEIKDYMNZIGSN-VXLYETTFSA-N	-1	0	384.417	1.110	40	30		GDEBRM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000101313370	526138557	/nfs/dbraw/zinc/13/85/57/526138557.db2.gz	XHKPOVXZQQQNEJ-AHIOURIWSA-N	-1	0	398.462	1.161	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl	ZINC000101303079	526441840	/nfs/dbraw/zinc/44/18/40/526441840.db2.gz	UBTMIXLDSJMPLK-BHQQRDBZSA-N	-1	0	383.882	1.851	40	30		GDEBRM
C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575426369	532014190	/nfs/dbraw/zinc/01/41/90/532014190.db2.gz	SBKRWFWDAPIINM-MRXNPFEDSA-N	-1	0	387.479	1.447	40	30		GDEBRM
O=C(NC(=S)N[N-]S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000002690733	220552591	/nfs/dbraw/zinc/55/25/91/220552591.db2.gz	LNABAYMRCUTEOR-UHFFFAOYSA-N	-1	0	380.407	1.504	40	30		GDEBRM
O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccccc1)C(Cl)(Cl)Cl	ZINC000005899340	220906890	/nfs/dbraw/zinc/90/68/90/220906890.db2.gz	PVLZUHCHSUUXJQ-OWEBIYPXSA-N	-1	0	383.684	1.758	40	30		GDEBRM
COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C([O-])[C@H](O)[C@@]1(C)OC	ZINC000031160749	521755491	/nfs/dbraw/zinc/75/54/91/521755491.db2.gz	GJGRGJCMJUMZKN-YQVWRLOYSA-N	-1	0	380.393	1.724	40	30	biogenic,in-vitro	GDEBRM
Cc1cccc(C)c1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000016741184	524264049	/nfs/dbraw/zinc/26/40/49/524264049.db2.gz	UBLPYNPCMYBTTP-OFPIOHJSSA-N	-1	0	396.490	1.770	40	30		GDEBRM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101318697	524380619	/nfs/dbraw/zinc/38/06/19/524380619.db2.gz	YNYXOECITLAEJL-OCWZUINPSA-N	-1	0	398.462	1.161	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1	ZINC000101315177	526441750	/nfs/dbraw/zinc/44/17/50/526441750.db2.gz	VIEIDCJKHUSWAI-BMIAZUDFSA-N	-1	0	387.845	1.994	40	30		GDEBRM
C#CCOc1c(CC=C)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000408595930	527086385	/nfs/dbraw/zinc/08/63/85/527086385.db2.gz	XUQPJVOHYSPUMY-XNTDXEJSSA-N	-1	0	384.388	1.803	40	30		GDEBRM
O=C([O-])COc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cccc1[N+](=O)[O-]	ZINC000409358047	231195669	/nfs/dbraw/zinc/19/56/69/231195669.db2.gz	JYANCQZYODYZMZ-UHFFFAOYSA-N	-1	0	384.304	1.356	40	30		GDEBRM
C[C@@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409349863	533918264	/nfs/dbraw/zinc/91/82/64/533918264.db2.gz	RCPVKTOCGJLRCT-GFCCVEGCSA-N	-1	0	396.403	1.902	40	30		GDEBRM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101318690	524383303	/nfs/dbraw/zinc/38/33/03/524383303.db2.gz	YNYXOECITLAEJL-MSPKJWORSA-N	-1	0	398.462	1.161	40	30		GDEBRM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000101309332	524412174	/nfs/dbraw/zinc/41/21/74/524412174.db2.gz	SNKVUXSWSCACJA-RUIRWZRLSA-N	-1	0	396.490	1.770	40	30		GDEBRM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C	ZINC000101318109	524915905	/nfs/dbraw/zinc/91/59/05/524915905.db2.gz	LSLMRKMLBAVUBU-AUVQNDJMSA-N	-1	0	396.490	1.770	40	30		GDEBRM
N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)C2=O)cc1	ZINC000580048941	968470967	/nfs/dbraw/zinc/47/09/67/968470967.db2.gz	XZXHOYQRQXLUNN-DLBZAZTESA-N	-1	0	384.436	1.555	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1	ZINC000101306473	527575493	/nfs/dbraw/zinc/57/54/93/527575493.db2.gz	RKIPDIXMZGTWPU-RUIRWZRLSA-N	-1	0	396.490	1.539	40	30		GDEBRM
O=C([O-])COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409348690	231194089	/nfs/dbraw/zinc/19/40/89/231194089.db2.gz	SBOCLKFPQIGKCO-UHFFFAOYSA-N	-1	0	384.304	1.356	40	30		GDEBRM
O=C([O-])c1cc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)ccc1Cl	ZINC000226856363	531032166	/nfs/dbraw/zinc/03/21/66/531032166.db2.gz	OWQUGDFBZRIUJH-UHFFFAOYSA-N	-1	0	381.749	1.955	40	30		GDEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000223499806	526662991	/nfs/dbraw/zinc/66/29/91/526662991.db2.gz	NMVVBJMMIJYMDW-UHFFFAOYSA-N	-1	0	381.439	1.213	40	30		GDEBRM
C/C(=N/NC(=S)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-])c1ccccn1	ZINC000005486748	570442264	/nfs/dbraw/zinc/44/22/64/570442264.db2.gz	NQXJJTJTMSOYHA-MFOYZWKCSA-N	-1	0	395.422	1.947	40	30		GDEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)s1	ZINC000224316038	531029272	/nfs/dbraw/zinc/02/92/72/531029272.db2.gz	ODGMOMHEZPJWCI-UHFFFAOYSA-N	-1	0	378.486	1.427	40	30		GDEBRM
CC(=O)c1cccc(NC(=O)C([O-])=C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1	ZINC000001626690	212252922	/nfs/dbraw/zinc/25/29/22/212252922.db2.gz	FHIIDMKDHKACGC-NVXWUHKLSA-N	-1	0	382.328	1.954	40	30		GDEBRM
O=C1Nc2ccccc2C1=N[N-]c1nc(N2CCCC2)nc(N2CCCC2)n1	ZINC000409224724	534802475	/nfs/dbraw/zinc/80/24/75/534802475.db2.gz	NNDLVJQULLAROR-UHFFFAOYSA-N	-1	0	378.440	1.840	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl	ZINC000101303076	526441571	/nfs/dbraw/zinc/44/15/71/526441571.db2.gz	UBTMIXLDSJMPLK-PTTFWAKNSA-N	-1	0	383.882	1.851	40	30		GDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1	ZINC000101304150	526441676	/nfs/dbraw/zinc/44/16/76/526441676.db2.gz	FSSCBOFIXVJFHW-BHQQRDBZSA-N	-1	0	383.882	1.851	40	30		GDEBRM
O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1	ZINC000101306475	527575388	/nfs/dbraw/zinc/57/53/88/527575388.db2.gz	RKIPDIXMZGTWPU-AUVQNDJMSA-N	-1	0	396.490	1.539	40	30		GDEBRM
O=C(NC(=S)N[N-]S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000002690738	530532617	/nfs/dbraw/zinc/53/26/17/530532617.db2.gz	DWCYYARQGGUVGK-UHFFFAOYSA-N	-1	0	380.407	1.504	40	30		GDEBRM
O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccncc1)C(Cl)(Cl)Cl	ZINC000005906230	530540335	/nfs/dbraw/zinc/54/03/35/530540335.db2.gz	KMHVVTHQKCNCOX-IOHRZUIBSA-N	-1	0	384.672	1.153	40	30		GDEBRM
COC(=O)[C@]1(CC(=O)c2c(C)[nH]c3ccccc32)NC(=S)NC([O-])=C1C#N	ZINC000006483560	220936980	/nfs/dbraw/zinc/93/69/80/220936980.db2.gz	OTOOVAIQKWCUNI-ADLMAVQZSA-N	-1	0	384.417	1.105	40	30		GDEBRM
O=C1c2ccccc2C(=O)N1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408742813	534849167	/nfs/dbraw/zinc/84/91/67/534849167.db2.gz	YGGPVEWAHBDUNZ-DGURAOSJSA-N	-1	0	392.396	1.333	40	30		GDEBRM
Cc1ccc(N2C(=O)C(=CNNc3ccc([N+](=O)[O-])cn3)C(=O)[N-]C2=S)cc1	ZINC000408762468	570545072	/nfs/dbraw/zinc/54/50/72/570545072.db2.gz	BHVVXJFIWUYFNR-ATDWHHCWSA-N	-1	0	398.404	1.760	40	30		GDEBRM
C=CCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588226845	570745339	/nfs/dbraw/zinc/74/53/39/570745339.db2.gz	CQTGBXGWPWMXMW-SFHVURJKSA-N	-1	0	376.441	1.259	40	30		GDEBRM