smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	ZINC000005477863	295801916	/nfs/dbraw/zinc/80/19/16/295801916.db2.gz	ZYSMNFVFINVBBI-XSHGTHSTSA-N	-1	0	346.433	2.853	50	10		EFCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C)C1=O	ZINC000033827052	202270492	/nfs/dbraw/zinc/27/04/92/202270492.db2.gz	ADSZPGYXSLKNEG-WQLSENKSSA-N	-1	0	331.422	2.717	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12	ZINC000019637711	212053346	/nfs/dbraw/zinc/05/33/46/212053346.db2.gz	YVDLYKKEBRHMCP-GDNBJRDFSA-N	-1	0	347.399	2.999	50	10		EFCARM
COc1cc(C=O)cc(CN2CCN(c3ccccc3F)CC2)c1[O-]	ZINC000226762996	205153109	/nfs/dbraw/zinc/15/31/09/205153109.db2.gz	NSOLJNBPMFCVCZ-UHFFFAOYSA-N	-1	0	344.386	2.675	50	10		EFCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000000453733	206241262	/nfs/dbraw/zinc/24/12/62/206241262.db2.gz	MWPCTGSCJCMDKY-RIYZIHGNSA-N	-1	0	342.738	2.712	50	10		EFCARM
COC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])CCC2	ZINC000005022303	291995440	/nfs/dbraw/zinc/99/54/40/291995440.db2.gz	OQGVFRQCGIFXFF-VHSXEESVSA-N	-1	0	349.408	2.629	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2F)SC1=S	ZINC000004357044	287512802	/nfs/dbraw/zinc/51/28/02/287512802.db2.gz	DUHKKYYBJIYIQX-PAKSIRSJSA-N	-1	0	325.386	2.890	50	10		EFCARM
CC(C)(C)N1C(=O)[N-]C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C1=O	ZINC000000440857	278340358	/nfs/dbraw/zinc/34/03/58/278340358.db2.gz	ARLIIOSTAQGPLA-NTCAYCPXSA-N	-1	0	341.411	2.547	50	10		EFCARM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)[nH]1	ZINC000000382156	280292278	/nfs/dbraw/zinc/29/22/78/280292278.db2.gz	ZQVCYRZLDIMLIV-OQLLNIDSSA-N	-1	0	339.420	2.771	50	10		EFCARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	ZINC000000969840	298215303	/nfs/dbraw/zinc/21/53/03/298215303.db2.gz	HPDSJPINDQZMIO-VNUQYUTRSA-N	-1	0	332.406	2.842	50	10		EFCARM
Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21	ZINC000013576034	302903838	/nfs/dbraw/zinc/90/38/38/302903838.db2.gz	IVMNCXYYMGVUKG-WJDWOHSUSA-N	-1	0	345.358	2.845	50	10		EFCARM
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1[O-]	ZINC000000070003	471319563	/nfs/dbraw/zinc/31/95/63/471319563.db2.gz	FWRVUCRXWVJELK-NSHDSACASA-N	-1	0	345.182	2.890	50	10		EFCARM
O=[N+]([O-])c1ccc([O-])c([C@@H](C#Cc2ccccc2)N2CCOCC2)c1	ZINC000000174211	471330034	/nfs/dbraw/zinc/33/00/34/471330034.db2.gz	NNUMAVFPEBRJND-GOSISDBHSA-N	-1	0	338.363	2.725	50	10		EFCARM
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O)C(=O)[N-]C1=S	ZINC000000208908	471335693	/nfs/dbraw/zinc/33/56/93/471335693.db2.gz	KIRUSUOBENBMAI-JLHYYAGUSA-N	-1	0	338.388	2.532	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)cc1Cl	ZINC000001263544	471383554	/nfs/dbraw/zinc/38/35/54/471383554.db2.gz	HVEGPWZPTQMELS-KPKJPENVSA-N	-1	0	329.743	2.847	50	10		EFCARM
O=C([O-])[C@H](NC1=NC(=O)C(=Cc2ccco2)S1)C1CCCCC1	ZINC000001395033	471388643	/nfs/dbraw/zinc/38/86/43/471388643.db2.gz	NWJFNOJMQJWNSR-CNELAYHGSA-N	-1	0	334.397	2.873	50	10		EFCARM
O=C([N-]N1C(=O)/C(=C\c2ccccn2)SC1=S)c1cccs1	ZINC000001412513	471389265	/nfs/dbraw/zinc/38/92/65/471389265.db2.gz	XNKDEYIOIYAOFW-DHZHZOJOSA-N	-1	0	347.446	2.689	50	10		EFCARM
Cc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)o1	ZINC000001803630	471397806	/nfs/dbraw/zinc/39/78/06/471397806.db2.gz	YAQFUYCVNCGFPK-CDCCAWJDSA-N	-1	0	325.411	2.898	50	10		EFCARM
C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)ccc2O1	ZINC000002346652	471407122	/nfs/dbraw/zinc/40/71/22/471407122.db2.gz	QRFKSPGPDDXUED-ITTMYVLYSA-N	-1	0	349.433	2.686	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2	ZINC000002942217	471428956	/nfs/dbraw/zinc/42/89/56/471428956.db2.gz	AUZSPYBTAQYPEF-WUXMJOGZSA-N	-1	0	342.738	2.530	50	10		EFCARM
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](CC(C)C)C(=O)[O-]	ZINC000003863563	471455053	/nfs/dbraw/zinc/45/50/53/471455053.db2.gz	OFVNPLAULYDWCR-AWEZNQCLSA-N	-1	0	333.384	2.650	50	10	biogenic	EFCARM
CCOc1cccc(N2C(=O)/C(=C\c3ccco3)C(=O)[N-]C2=S)c1	ZINC000004471594	471465819	/nfs/dbraw/zinc/46/58/19/471465819.db2.gz	MLDNPPVULZTXCG-UVTDQMKNSA-N	-1	0	342.376	2.510	50	10		EFCARM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1ccco1	ZINC000004498988	471466822	/nfs/dbraw/zinc/46/68/22/471466822.db2.gz	GFLXLVDAIXVTLX-WQLSENKSSA-N	-1	0	333.141	2.504	50	10		EFCARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O	ZINC000004502751	471467405	/nfs/dbraw/zinc/46/74/05/471467405.db2.gz	JQESZXXRSWCXCS-ZDUSSCGKSA-N	-1	0	344.392	2.996	50	10		EFCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000004678795	471470684	/nfs/dbraw/zinc/47/06/84/471470684.db2.gz	QQTVRIXABKQODL-GDNBJRDFSA-N	-1	0	339.326	2.713	50	10		EFCARM
CC[C@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000004749677	471473498	/nfs/dbraw/zinc/47/34/98/471473498.db2.gz	XEJBAUCIBQPVLC-MGPLVRAMSA-N	-1	0	345.395	2.576	50	10		EFCARM
CCCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C(C(=O)OC)=C1C	ZINC000004746563	471473817	/nfs/dbraw/zinc/47/38/17/471473817.db2.gz	PFQSHMGJCMGDIC-PTNGSMBKSA-N	-1	0	343.379	2.858	50	10		EFCARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000004795552	471475074	/nfs/dbraw/zinc/47/50/74/471475074.db2.gz	NWTMBZAOESKGQC-OYGDSYQHSA-N	-1	0	337.422	2.847	50	10		EFCARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1C[C@H](C)CC2	ZINC000004834674	471476056	/nfs/dbraw/zinc/47/60/56/471476056.db2.gz	MVPLWIMCQOVGGD-SECBINFHSA-N	-1	0	339.413	2.853	50	10		EFCARM
C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000005346843	471501474	/nfs/dbraw/zinc/50/14/74/471501474.db2.gz	RODGZGJMGAPWNS-VAENJDROSA-N	-1	0	347.417	2.680	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1	ZINC000005660501	471515493	/nfs/dbraw/zinc/51/54/93/471515493.db2.gz	QUNOOVCDJJFFRC-UVTDQMKNSA-N	-1	0	341.754	2.919	50	10		EFCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S	ZINC000006660937	471557382	/nfs/dbraw/zinc/55/73/82/471557382.db2.gz	OTPZUEVLPDCWLU-LCYFTJDESA-N	-1	0	344.417	2.911	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccco1	ZINC000013546529	471832104	/nfs/dbraw/zinc/83/21/04/471832104.db2.gz	FAAXUMXXHHPLQQ-NQDFZQDQSA-N	-1	0	342.351	2.806	50	10		EFCARM
Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000014011411	471848029	/nfs/dbraw/zinc/84/80/29/471848029.db2.gz	HWHGAFQQHAYIKE-XYOKQWHBSA-N	-1	0	330.340	2.862	50	10		EFCARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)ccc1O	ZINC000016213935	471928525	/nfs/dbraw/zinc/92/85/25/471928525.db2.gz	NIALPTMNYSJVOA-GDNBJRDFSA-N	-1	0	338.363	2.561	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000016400483	471935667	/nfs/dbraw/zinc/93/56/67/471935667.db2.gz	PQNINNHVZCQCNQ-NTEUORMPSA-N	-1	0	343.289	2.544	50	10		EFCARM
CCC[C@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-]	ZINC000016810557	471951017	/nfs/dbraw/zinc/95/10/17/471951017.db2.gz	XFZQKDYRBICSHS-HNNXBMFYSA-N	-1	0	341.363	2.995	50	10		EFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)cc1	ZINC000017730670	471963643	/nfs/dbraw/zinc/96/36/43/471963643.db2.gz	RRLHRKUMLPTXEJ-NTEUORMPSA-N	-1	0	325.324	2.526	50	10		EFCARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000084715595	472210692	/nfs/dbraw/zinc/21/06/92/472210692.db2.gz	BYVWRUPWZYBGOZ-FZQCLQRZSA-N	-1	0	330.200	2.907	50	10		EFCARM
Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000100401230	472526945	/nfs/dbraw/zinc/52/69/45/472526945.db2.gz	OGJUKYHORSJQJU-BENRWUELSA-N	-1	0	339.326	2.713	50	10		EFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccco2)C1=O	ZINC000000086756	524535129	/nfs/dbraw/zinc/53/51/29/524535129.db2.gz	SHTVFFSGJJLIFG-HDZFOZLDSA-N	-1	0	338.319	2.511	50	10		EFCARM
CC(C)CCCNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000019595360	1314499055	/nfs/dbraw/zinc/49/90/55/1314499055.db2.gz	FSROKDAUAXBXSV-UVTDQMKNSA-N	-1	0	349.818	2.833	50	10		EFCARM
CCOc1ccc(N=Nc2c(=O)[n-]n3c2[nH]c2c(c3=O)CCC2)cc1	ZINC000103674845	219320126	/nfs/dbraw/zinc/32/01/26/219320126.db2.gz	SNDRFQIDJSRMDV-FMQUCBEESA-N	-1	0	339.355	2.619	50	10		EFCARM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000027530415	212562162	/nfs/dbraw/zinc/56/21/62/212562162.db2.gz	RPNMZAXGOJRFQL-WBOGTDJTSA-N	-1	0	336.438	2.782	50	10		EFCARM
O=C([O-])[C@@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@H]21	ZINC000012437294	304154823	/nfs/dbraw/zinc/15/48/23/304154823.db2.gz	CNQHYGCDWZHJEN-LPBBDHJYSA-N	-1	0	341.148	2.830	50	10	biogenic,in-vitro	EFCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccco1	ZINC000000432716	284865845	/nfs/dbraw/zinc/86/58/45/284865845.db2.gz	OGXIMLCYHKUXSN-XYOKQWHBSA-N	-1	0	332.768	2.764	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccsc1	ZINC000005868391	296359217	/nfs/dbraw/zinc/35/92/17/296359217.db2.gz	ZFEOMENYUCCBKQ-YFHOEESVSA-N	-1	0	332.381	2.719	50	10		EFCARM
Cc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000004600275	302076029	/nfs/dbraw/zinc/07/60/29/302076029.db2.gz	KKOKVVMXPCASAW-GDNBJRDFSA-N	-1	0	340.379	2.965	50	10		EFCARM
Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000000478897	471365155	/nfs/dbraw/zinc/36/51/55/471365155.db2.gz	JBYQAWSXDKKGNA-FMIVXFBMSA-N	-1	0	328.418	2.888	50	10		EFCARM
O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)C1=CNCc1cccnc1	ZINC000001275085	471384271	/nfs/dbraw/zinc/38/42/71/471384271.db2.gz	XQMKLBLSIYVMEB-NTCAYCPXSA-N	-1	0	342.399	2.697	50	10		EFCARM
CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2	ZINC000002086112	471401849	/nfs/dbraw/zinc/40/18/49/471401849.db2.gz	CCDXNEBLNWODQG-UHFFFAOYSA-N	-1	0	339.413	2.997	50	10		EFCARM
CCn1c2ccccc2c2cc(C=C3C(=O)NC(=S)NC3=O)ccc21	ZINC000002174817	471402888	/nfs/dbraw/zinc/40/28/88/471402888.db2.gz	WKQFTJMVRFLWJU-UHFFFAOYSA-N	-1	0	349.415	2.729	50	10		EFCARM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1	ZINC000002303521	471404949	/nfs/dbraw/zinc/40/49/49/471404949.db2.gz	AYUXOHIOPIWDOF-FMIVXFBMSA-N	-1	0	337.422	2.761	50	10		EFCARM
CCCCCCNC=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000002399281	471406542	/nfs/dbraw/zinc/40/65/42/471406542.db2.gz	IZTNKJYDBVRCTL-VBKFSLOCSA-N	-1	0	343.427	2.940	50	10		EFCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2O)SC1=S	ZINC000002820967	471423525	/nfs/dbraw/zinc/42/35/25/471423525.db2.gz	QCZXCYPLOQQSTI-SEVUFMINSA-N	-1	0	337.422	2.703	50	10		EFCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000002892827	471427505	/nfs/dbraw/zinc/42/75/05/471427505.db2.gz	ZTLDTGVWYVVYPP-WJDWOHSUSA-N	-1	0	335.363	2.882	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1	ZINC000005683760	471516188	/nfs/dbraw/zinc/51/61/88/471516188.db2.gz	KHNBUAMZCRRQDT-PFKGSKDKSA-N	-1	0	335.319	2.612	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNc1ccccc1	ZINC000005899754	471525680	/nfs/dbraw/zinc/52/56/80/471525680.db2.gz	PMNLIWHOELROSV-ZRDIBKRKSA-N	-1	0	341.367	2.569	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1	ZINC000009043933	471709534	/nfs/dbraw/zinc/70/95/34/471709534.db2.gz	YUSHBRYZJAWKNT-FLIBITNWSA-N	-1	0	343.320	2.527	50	10		EFCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1C	ZINC000013809879	471844198	/nfs/dbraw/zinc/84/41/98/471844198.db2.gz	PNGOFILDYLHBND-OVCLIPMQSA-N	-1	0	341.342	2.652	50	10		EFCARM
O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cccc2nonc21	ZINC000014256147	471866558	/nfs/dbraw/zinc/86/65/58/471866558.db2.gz	ARLDESJPKBSEPK-UHFFFAOYSA-N	-1	0	327.724	2.816	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1	ZINC000015659322	471913250	/nfs/dbraw/zinc/91/32/50/471913250.db2.gz	CMPOSTXJWTUOKQ-FLIBITNWSA-N	-1	0	343.320	2.859	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12	ZINC000018116590	471969396	/nfs/dbraw/zinc/96/93/96/471969396.db2.gz	SGGCZVMEOZFAQS-GDNBJRDFSA-N	-1	0	331.331	2.834	50	10		EFCARM
CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022780512	472020706	/nfs/dbraw/zinc/02/07/06/472020706.db2.gz	TYIQOVNMKOQECY-BHYGNILZSA-N	-1	0	334.372	2.515	50	10		EFCARM
CCN1C(=O)C(=C([O-])c2ccc(OC)c(OC)c2)SC1=S	ZINC000101702397	472549831	/nfs/dbraw/zinc/54/98/31/472549831.db2.gz	BPTDMLUDCANPHC-QXMHVHEDSA-N	-1	0	325.411	2.811	50	10		EFCARM
COc1cccc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)c1	ZINC000000441032	1303492664	/nfs/dbraw/zinc/49/26/64/1303492664.db2.gz	MJOPIIPTDWNJNA-UKTHLTGXSA-N	-1	0	344.417	2.588	50	10		EFCARM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000000450517	1303511534	/nfs/dbraw/zinc/51/15/34/1303511534.db2.gz	JUOCBMSQMQBBLI-VBKFSLOCSA-N	-1	0	342.395	2.880	50	10		EFCARM
O=C1[N-]C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1c[nH]c2ccccc12	ZINC000000453185	717032515	/nfs/dbraw/zinc/03/25/15/717032515.db2.gz	IMJCKBGLICSZHH-QENILXLESA-N	-1	0	339.351	2.649	50	10		EFCARM
O=C1[N-]C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1c[nH]c2ccccc12	ZINC000000453183	717032583	/nfs/dbraw/zinc/03/25/83/717032583.db2.gz	IMJCKBGLICSZHH-UGMNDJHYSA-N	-1	0	339.351	2.649	50	10		EFCARM
CCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc(N(CC)CC)cc2)C1=O	ZINC000004706827	210255338	/nfs/dbraw/zinc/25/53/38/210255338.db2.gz	YMSGKZJECMCWKY-SSZFMOIBSA-N	-1	0	343.427	2.795	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C)c3)C2=O)cc1	ZINC000100401387	219098284	/nfs/dbraw/zinc/09/82/84/219098284.db2.gz	PXFSVSAFIUNVFJ-WJDWOHSUSA-N	-1	0	335.363	2.882	50	10		EFCARM
CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])C(C)C	ZINC000003863587	210080084	/nfs/dbraw/zinc/08/00/84/210080084.db2.gz	UPVQCGYGOPISTK-INIZCTEOSA-N	-1	0	333.384	2.650	50	10	biogenic	EFCARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	ZINC000000969838	209696904	/nfs/dbraw/zinc/69/69/04/209696904.db2.gz	HPDSJPINDQZMIO-QJZKUFFDSA-N	-1	0	332.406	2.842	50	10	biogenic	EFCARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001215482	283476685	/nfs/dbraw/zinc/47/66/85/283476685.db2.gz	NWTMBZAOESKGQC-LCFDYFRESA-N	-1	0	337.422	2.847	50	10		EFCARM
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000012504554	211394254	/nfs/dbraw/zinc/39/42/54/211394254.db2.gz	WNSXQGARFJFRDC-XFXZXTDPSA-N	-1	0	337.422	2.761	50	10		EFCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(O)cc1	ZINC000000497595	296357235	/nfs/dbraw/zinc/35/72/35/296357235.db2.gz	KBWJNEUWFZRCKE-VBKFSLOCSA-N	-1	0	340.379	2.745	50	10		EFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1	ZINC000004845868	210297998	/nfs/dbraw/zinc/29/79/98/210297998.db2.gz	QOJBZOZTWNXHKY-UVTDQMKNSA-N	-1	0	326.377	2.977	50	10		EFCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)[N-]C2=S)cc1	ZINC000000447583	292126617	/nfs/dbraw/zinc/12/66/17/292126617.db2.gz	KMYNKKZGGWVHGJ-XNTDXEJSSA-N	-1	0	338.388	2.532	50	10		EFCARM
CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	ZINC000000446975	277016298	/nfs/dbraw/zinc/01/62/98/277016298.db2.gz	HMUVCJNWVNEJHR-DHZHZOJOSA-N	-1	0	341.279	2.787	50	10		EFCARM
COc1ccc(N2C(=O)C(=Cc3cccn3C)C(=O)[N-]C2=S)cc1	ZINC000001297715	277416960	/nfs/dbraw/zinc/41/69/60/277416960.db2.gz	RQBAEMOPAPRGNU-UVTDQMKNSA-N	-1	0	341.392	2.705	50	10		EFCARM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C	ZINC000097963991	278086971	/nfs/dbraw/zinc/08/69/71/278086971.db2.gz	MKTSEGZSORLAHA-BZROSYFNSA-N	-1	0	335.367	2.944	50	10		EFCARM
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])[C@H](C)CC	ZINC000003863593	288516435	/nfs/dbraw/zinc/51/64/35/288516435.db2.gz	MTYHBWBJOZPTDY-QLJPJBMISA-N	-1	0	333.384	2.650	50	10	biogenic	EFCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(F)cc2)C1=O	ZINC000017122524	302103986	/nfs/dbraw/zinc/10/39/86/302103986.db2.gz	ZRFCOENCMJOTLV-UVTDQMKNSA-N	-1	0	339.326	2.713	50	10		EFCARM
COc1ccc(O)c([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000000187853	471332346	/nfs/dbraw/zinc/33/23/46/471332346.db2.gz	AIUHVHYSEJBVRF-CRAIPNDOSA-N	-1	0	338.363	2.570	50	10		EFCARM
CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000000208444	471335881	/nfs/dbraw/zinc/33/58/81/471335881.db2.gz	QCMJWLLFYFWNSD-XNTDXEJSSA-N	-1	0	338.363	2.561	50	10		EFCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1	ZINC000000437883	471359620	/nfs/dbraw/zinc/35/96/20/471359620.db2.gz	GXEMIDVEZOUXMK-UVTDQMKNSA-N	-1	0	343.180	2.911	50	10		EFCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O	ZINC000000447250	471360762	/nfs/dbraw/zinc/36/07/62/471360762.db2.gz	VFUPDCOOIRUUAB-XYOKQWHBSA-N	-1	0	330.727	2.692	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1C	ZINC000000444175	471361629	/nfs/dbraw/zinc/36/16/29/471361629.db2.gz	UNXBRDNKOVADPS-MHWRWJLKSA-N	-1	0	336.347	2.675	50	10		EFCARM
COc1ccc(N2C(=O)C(=Cc3cccn3C)C(=O)[N-]C2=S)cc1	ZINC000001297714	471385435	/nfs/dbraw/zinc/38/54/35/471385435.db2.gz	RQBAEMOPAPRGNU-GXDHUFHOSA-N	-1	0	341.392	2.705	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S	ZINC000001601177	471393004	/nfs/dbraw/zinc/39/30/04/471393004.db2.gz	PLONLYDWXJIJTK-GHXNOFRVSA-N	-1	0	330.390	2.521	50	10		EFCARM
O=C([O-])CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S	ZINC000001898813	471399132	/nfs/dbraw/zinc/39/91/32/471399132.db2.gz	NUQNOXJJDFJUNV-FLIBITNWSA-N	-1	0	325.386	2.892	50	10		EFCARM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005371644	471502099	/nfs/dbraw/zinc/50/20/99/471502099.db2.gz	BVULSQXCOXUJCA-SERMCNLOSA-N	-1	0	338.454	2.726	50	10		EFCARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005371647	471502760	/nfs/dbraw/zinc/50/27/60/471502760.db2.gz	BVULSQXCOXUJCA-OYGDSYQHSA-N	-1	0	338.454	2.726	50	10		EFCARM
COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCC2	ZINC000005719944	471517726	/nfs/dbraw/zinc/51/77/26/471517726.db2.gz	IUBBUNIICOSHAQ-UHFFFAOYSA-N	-1	0	339.413	2.997	50	10		EFCARM
COC(=O)c1ccccc1N=Nc1c(=O)[n-]n2c1nc(C)cc2C	ZINC000006281422	471538554	/nfs/dbraw/zinc/53/85/54/471538554.db2.gz	BAXRBJNKSNOKRO-VHEBQXMUSA-N	-1	0	325.328	2.841	50	10		EFCARM
CCOc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC	ZINC000006499553	471547653	/nfs/dbraw/zinc/54/76/53/471547653.db2.gz	QHUHKMJJSSGQQF-NTCAYCPXSA-N	-1	0	338.363	2.555	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNN1CCCCC1	ZINC000009329827	471713421	/nfs/dbraw/zinc/71/34/21/471713421.db2.gz	ZBZGRCRXOZNVQE-JLHYYAGUSA-N	-1	0	348.790	2.638	50	10		EFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)c1	ZINC000015659278	471913670	/nfs/dbraw/zinc/91/36/70/471913670.db2.gz	XHQBQNAXXPIGGT-HGQQOXHYSA-N	-1	0	348.358	2.918	50	10		EFCARM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000015799019	471918040	/nfs/dbraw/zinc/91/80/40/471918040.db2.gz	ZOIAHWKDNZYKNR-XNTDXEJSSA-N	-1	0	340.310	2.501	50	10		EFCARM
COc1ccccc1/C=C1/C(=O)[N-]N(c2cccc(Cl)c2)C1=O	ZINC000032109747	472415146	/nfs/dbraw/zinc/41/51/46/472415146.db2.gz	PYISUPVLZTXYCG-ZROIWOOFSA-N	-1	0	328.755	2.810	50	10		EFCARM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)[O-])cc1	ZINC000014011446	500645365	/nfs/dbraw/zinc/64/53/65/500645365.db2.gz	SFOTVGLXFLCVRD-BOPFTXTBSA-N	-1	0	336.347	2.956	50	10		EFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)s3)C2=O)c1	ZINC000000086792	526141035	/nfs/dbraw/zinc/14/10/35/526141035.db2.gz	WPRWCFWLPLLWPY-ZROIWOOFSA-N	-1	0	342.376	2.732	50	10		EFCARM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000004745660	210267327	/nfs/dbraw/zinc/26/73/27/210267327.db2.gz	VMDVEVOKSMZOLJ-VUBLIPMDSA-N	-1	0	325.411	2.980	50	10		EFCARM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=S)NC2=O)cc1	ZINC000004711859	210256199	/nfs/dbraw/zinc/25/61/99/210256199.db2.gz	UICCXLYUYHWBCE-WQLSENKSSA-N	-1	0	330.390	2.664	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1Cl	ZINC000100639957	219103444	/nfs/dbraw/zinc/10/34/44/219103444.db2.gz	KIIMZUPWJKSRPZ-BENRWUELSA-N	-1	0	341.754	2.919	50	10		EFCARM
COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2	ZINC000003634349	210069115	/nfs/dbraw/zinc/06/91/15/210069115.db2.gz	CQVAHRUPLXGPQQ-UHFFFAOYSA-N	-1	0	325.386	2.607	50	10		EFCARM
COc1cccc(N=Nc2c(N)[n-]n3c2nc2c(c3=O)CCCC2)c1	ZINC000103675029	219319607	/nfs/dbraw/zinc/31/96/07/219319607.db2.gz	WDJQAWOKBSVZGE-QZQOTICOSA-N	-1	0	338.371	2.908	50	10		EFCARM
COc1ccc(O)c([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000000187847	209473292	/nfs/dbraw/zinc/47/32/92/209473292.db2.gz	AIUHVHYSEJBVRF-QAPCUYQASA-N	-1	0	338.363	2.570	50	10		EFCARM
C[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000000405960	299323050	/nfs/dbraw/zinc/32/30/50/299323050.db2.gz	AWEFXECHEHYAIJ-NSHDSACASA-N	-1	0	339.347	2.728	50	10	biogenic	EFCARM
Cc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc2c1O[C@H](C)C2	ZINC000012062567	211284727	/nfs/dbraw/zinc/28/47/27/211284727.db2.gz	ITFPQWMNTHISHM-DKBJHAQFSA-N	-1	0	349.433	2.604	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccoc1	ZINC000005044059	296359513	/nfs/dbraw/zinc/35/95/13/296359513.db2.gz	WAIXYBQCJMILSV-GHXNOFRVSA-N	-1	0	332.768	2.764	50	10		EFCARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O	ZINC000005043661	210372872	/nfs/dbraw/zinc/37/28/72/210372872.db2.gz	SEHSEUOMJNCJHJ-MRXNPFEDSA-N	-1	0	338.363	2.935	50	10		EFCARM
Cc1cc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)ccc1[N+](=O)[O-]	ZINC000004853454	210300456	/nfs/dbraw/zinc/30/04/56/210300456.db2.gz	FWEQFBGOWJIGRP-UHFFFAOYSA-N	-1	0	341.279	2.753	50	10		EFCARM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C	ZINC000101469874	278086899	/nfs/dbraw/zinc/08/68/99/278086899.db2.gz	MKTSEGZSORLAHA-FVGNFYTDSA-N	-1	0	335.367	2.944	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)cc3)C2=O)cc1	ZINC000002837279	295155675	/nfs/dbraw/zinc/15/56/75/295155675.db2.gz	QSBIZMVOTZGKLS-LFIBNONCSA-N	-1	0	336.347	2.670	50	10		EFCARM
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1[O-]	ZINC000000070007	471319994	/nfs/dbraw/zinc/31/99/94/471319994.db2.gz	FWRVUCRXWVJELK-LLVKDONJSA-N	-1	0	345.182	2.890	50	10		EFCARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2	ZINC000000116579	471325560	/nfs/dbraw/zinc/32/55/60/471325560.db2.gz	PJLKFDHWTSQMKX-UHFFFAOYSA-N	-1	0	325.386	2.607	50	10		EFCARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1Cl	ZINC000000306788	471345782	/nfs/dbraw/zinc/34/57/82/471345782.db2.gz	CAGIHCCVYCFTJS-RIYZIHGNSA-N	-1	0	328.755	2.815	50	10		EFCARM
CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	ZINC000000446998	471361761	/nfs/dbraw/zinc/36/17/61/471361761.db2.gz	MWFSBCBVVJLBIB-XYOKQWHBSA-N	-1	0	341.279	2.787	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(F)c1	ZINC000000478885	471365697	/nfs/dbraw/zinc/36/56/97/471365697.db2.gz	ASLAQJMAAYLSAV-ZROIWOOFSA-N	-1	0	344.342	2.796	50	10		EFCARM
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000000975152	471378632	/nfs/dbraw/zinc/37/86/32/471378632.db2.gz	MMSRCUVUAKLWGR-WUXMJOGZSA-N	-1	0	332.406	2.762	50	10		EFCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc1	ZINC000001225765	471383209	/nfs/dbraw/zinc/38/32/09/471383209.db2.gz	HAMUGHJHLPAWNS-NTCAYCPXSA-N	-1	0	343.427	2.793	50	10		EFCARM
Cc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)o1	ZINC000001803628	471398549	/nfs/dbraw/zinc/39/85/49/471398549.db2.gz	YAQFUYCVNCGFPK-RUYJGKKWSA-N	-1	0	325.411	2.898	50	10		EFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c1C	ZINC000002814294	471424171	/nfs/dbraw/zinc/42/41/71/471424171.db2.gz	UAAGRGZEWADLIQ-XNTDXEJSSA-N	-1	0	336.347	2.675	50	10		EFCARM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000003140086	471433175	/nfs/dbraw/zinc/43/31/75/471433175.db2.gz	RCLZDPJQKYDEOF-UHFFFAOYSA-N	-1	0	341.279	2.753	50	10		EFCARM
Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000004182717	471461217	/nfs/dbraw/zinc/46/12/17/471461217.db2.gz	OGJUKYHORSJQJU-ZRDIBKRKSA-N	-1	0	339.326	2.713	50	10		EFCARM
CCCCN1C(=O)[N-]C(=O)/C(=C/c2cn(CC)c3ccccc23)C1=O	ZINC000005834593	471523168	/nfs/dbraw/zinc/52/31/68/471523168.db2.gz	CRYBDENLHSNWOW-PTNGSMBKSA-N	-1	0	339.395	2.923	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	ZINC000005960466	471527130	/nfs/dbraw/zinc/52/71/30/471527130.db2.gz	JKWRWKBRCJRSKM-VUBLIPMDSA-N	-1	0	325.386	2.890	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1Cl	ZINC000006557735	471551513	/nfs/dbraw/zinc/55/15/13/471551513.db2.gz	KIIMZUPWJKSRPZ-ZRDIBKRKSA-N	-1	0	341.754	2.919	50	10		EFCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S	ZINC000006660403	471557650	/nfs/dbraw/zinc/55/76/50/471557650.db2.gz	CTYRHQJYFFIZAW-LCYFTJDESA-N	-1	0	344.417	2.911	50	10		EFCARM
Cn1cccc1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O	ZINC000013770955	471843138	/nfs/dbraw/zinc/84/31/38/471843138.db2.gz	QBLRLFRHPFDFBZ-BENRWUELSA-N	-1	0	338.454	2.871	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)s1	ZINC000015276816	471896194	/nfs/dbraw/zinc/89/61/94/471896194.db2.gz	DAMQNVUHIAZYIE-RIYZIHGNSA-N	-1	0	344.367	2.858	50	10		EFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)ccc1O	ZINC000016195990	471928584	/nfs/dbraw/zinc/92/85/84/471928584.db2.gz	PDLAMXLTMYCSCQ-JYRVWZFOSA-N	-1	0	344.754	2.516	50	10		EFCARM
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016671480	471947354	/nfs/dbraw/zinc/94/73/54/471947354.db2.gz	AAJJWYGWGFDTDO-POHAHGRESA-N	-1	0	340.382	2.530	50	10		EFCARM
COc1cccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c1O	ZINC000033281987	471981724	/nfs/dbraw/zinc/98/17/24/471981724.db2.gz	XVVROJGKYJFUPK-JYRVWZFOSA-N	-1	0	344.754	2.516	50	10		EFCARM
Cc1c(C)c2ccc([O-])c(C[NH2+][C@H](CC(C)C)C(=O)[O-])c2oc1=O	ZINC000035686306	471996477	/nfs/dbraw/zinc/99/64/77/471996477.db2.gz	ADDSHZUIJALYMV-CQSZACIVSA-N	-1	0	333.384	2.704	50	10		EFCARM
CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000584904299	479277858	/nfs/dbraw/zinc/27/78/58/479277858.db2.gz	TYIQOVNMKOQECY-DJIMGWMZSA-N	-1	0	334.372	2.515	50	10		EFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)c1	ZINC000000085990	526140398	/nfs/dbraw/zinc/14/03/98/526140398.db2.gz	UNEUCEBISLGIQR-AYRRQIOMSA-N	-1	0	338.319	2.511	50	10		EFCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000100401440	219098510	/nfs/dbraw/zinc/09/85/10/219098510.db2.gz	RGGZADXHCAIXDX-WJDWOHSUSA-N	-1	0	335.363	2.882	50	10		EFCARM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000004193746	210143942	/nfs/dbraw/zinc/14/39/42/210143942.db2.gz	RPNMZAXGOJRFQL-ZWIPKHHJSA-N	-1	0	336.438	2.782	50	10		EFCARM
CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000004746558	201616759	/nfs/dbraw/zinc/61/67/59/201616759.db2.gz	PBCVTPKZQUJXPA-GHXNOFRVSA-N	-1	0	346.726	2.821	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNN1CCCCC1	ZINC000019996428	212093179	/nfs/dbraw/zinc/09/31/79/212093179.db2.gz	ZBZGRCRXOZNVQE-RAXLEYEMSA-N	-1	0	348.790	2.638	50	10		EFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000019996505	212093186	/nfs/dbraw/zinc/09/31/86/212093186.db2.gz	PEEYUMNPSKTPIE-QINSGFPZSA-N	-1	0	342.399	2.547	50	10		EFCARM
O=C([O-])[C@@H]1Nc2c(I)cccc2[C@H]2C=CC[C@H]21	ZINC000004409920	304154835	/nfs/dbraw/zinc/15/48/35/304154835.db2.gz	CNQHYGCDWZHJEN-JWKOBGCHSA-N	-1	0	341.148	2.830	50	10	biogenic,in-vitro	EFCARM
CCC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1	ZINC000000406826	205447491	/nfs/dbraw/zinc/44/74/91/205447491.db2.gz	CQSGAHGRMAUFAJ-UHFFFAOYSA-N	-1	0	339.303	2.501	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000000050951	284912783	/nfs/dbraw/zinc/91/27/83/284912783.db2.gz	BZBMQDOQRLXSGF-GXDHUFHOSA-N	-1	0	343.180	2.911	50	10		EFCARM
COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2	ZINC000005022293	291995139	/nfs/dbraw/zinc/99/51/39/291995139.db2.gz	OQGVFRQCGIFXFF-ZJUUUORDSA-N	-1	0	349.408	2.629	50	10		EFCARM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000100498371	544560610	/nfs/dbraw/zinc/56/06/10/544560610.db2.gz	NLBCELJQHBEUJT-GDNBJRDFSA-N	-1	0	337.335	2.809	50	10		EFCARM
COc1ccc(O)c([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000000187842	471332336	/nfs/dbraw/zinc/33/23/36/471332336.db2.gz	AIUHVHYSEJBVRF-MAUKXSAKSA-N	-1	0	338.363	2.570	50	10		EFCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccco1	ZINC000000234540	471339422	/nfs/dbraw/zinc/33/94/22/471339422.db2.gz	PYCKGQNYHQQEOR-WQLSENKSSA-N	-1	0	333.141	2.504	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1C	ZINC000000450975	471361244	/nfs/dbraw/zinc/36/12/44/471361244.db2.gz	DQYLRXPFWSFMML-MHWRWJLKSA-N	-1	0	336.347	2.675	50	10		EFCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O	ZINC000000479435	471364892	/nfs/dbraw/zinc/36/48/92/471364892.db2.gz	HRINBFSQLRLYSD-XNTDXEJSSA-N	-1	0	329.400	2.702	50	10		EFCARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001215485	471383920	/nfs/dbraw/zinc/38/39/20/471383920.db2.gz	NWTMBZAOESKGQC-HQQGHWSLSA-N	-1	0	337.422	2.847	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	ZINC000001295193	471385155	/nfs/dbraw/zinc/38/51/55/471385155.db2.gz	IQJOXURVVVYNKG-QBQSQJOESA-N	-1	0	325.386	2.890	50	10		EFCARM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccn2)SC1=S	ZINC000001799377	471397701	/nfs/dbraw/zinc/39/77/01/471397701.db2.gz	NULIBNIGRBSTIR-ZRDIBKRKSA-N	-1	0	336.438	2.928	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1	ZINC000002232168	471404224	/nfs/dbraw/zinc/40/42/24/471404224.db2.gz	PRYWRYCMZXFHEH-YRNVUSSQSA-N	-1	0	345.242	2.834	50	10		EFCARM
C=C(c1ccc(F)cc1)C1SC(=S)N(CCC(=O)[O-])C1=O	ZINC000002700361	471417430	/nfs/dbraw/zinc/41/74/30/471417430.db2.gz	QLMSIMXVLWDQAI-WQLSENKSSA-N	-1	0	325.386	2.892	50	10		EFCARM
Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c([N+](=O)[O-])c1	ZINC000002937238	471429223	/nfs/dbraw/zinc/42/92/23/471429223.db2.gz	DCYYZCLKBIXWOW-UHFFFAOYSA-N	-1	0	341.279	2.753	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S	ZINC000003340610	471441730	/nfs/dbraw/zinc/44/17/30/471441730.db2.gz	OUUAEXXGAVDRJV-UITAMQMPSA-N	-1	0	345.348	2.574	50	10		EFCARM
CCC[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000004025702	471458392	/nfs/dbraw/zinc/45/83/92/471458392.db2.gz	XYIXRUSSFODCSE-HNNXBMFYSA-N	-1	0	345.395	2.720	50	10	biogenic	EFCARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O	ZINC000004502752	471467242	/nfs/dbraw/zinc/46/72/42/471467242.db2.gz	JQESZXXRSWCXCS-CYBMUJFWSA-N	-1	0	344.392	2.996	50	10		EFCARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1	ZINC000004980331	471482108	/nfs/dbraw/zinc/48/21/08/471482108.db2.gz	YTDXTRRVYUOHMU-UHFFFAOYSA-N	-1	0	347.396	2.996	50	10		EFCARM
Nc1c(SCCC(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O	ZINC000005024574	471482748	/nfs/dbraw/zinc/48/27/48/471482748.db2.gz	LSJCXXCIUNFOBN-UHFFFAOYSA-N	-1	0	327.361	2.611	50	10		EFCARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O	ZINC000005043658	471484333	/nfs/dbraw/zinc/48/43/33/471484333.db2.gz	SEHSEUOMJNCJHJ-INIZCTEOSA-N	-1	0	338.363	2.935	50	10		EFCARM
CCOc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000005332442	471500198	/nfs/dbraw/zinc/50/01/98/471500198.db2.gz	WECLYCXSJDFORP-UHFFFAOYSA-N	-1	0	335.410	2.891	50	10		EFCARM
COc1cc(=O)c2c([O-])c(OC)c(-c3ccc(O)c(O)c3)oc-2c1	ZINC000005732362	471518330	/nfs/dbraw/zinc/51/83/30/471518330.db2.gz	LUJAXSNNYBCFEE-UHFFFAOYSA-N	-1	0	330.292	2.594	50	10	endogenous,in-man	EFCARM
CC(C)OC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCC2	ZINC000005727290	471519168	/nfs/dbraw/zinc/51/91/68/471519168.db2.gz	VJOBETNPDWOKGW-UHFFFAOYSA-N	-1	0	325.386	2.605	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S	ZINC000006660270	471556718	/nfs/dbraw/zinc/55/67/18/471556718.db2.gz	MLGRHRCYMBBGEM-XFFZJAGNSA-N	-1	0	330.390	2.521	50	10		EFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2C)C1=O	ZINC000008971479	471708403	/nfs/dbraw/zinc/70/84/03/471708403.db2.gz	AZCFJFTVJVXBGB-QBFSEMIESA-N	-1	0	339.351	2.931	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	ZINC000009065368	471709622	/nfs/dbraw/zinc/70/96/22/471709622.db2.gz	PCEIKQLOBZROLW-GDNBJRDFSA-N	-1	0	338.319	2.908	50	10		EFCARM
COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000012504553	471777217	/nfs/dbraw/zinc/77/72/17/471777217.db2.gz	BTCMQQGKQFZTRR-XFXZXTDPSA-N	-1	0	337.422	2.761	50	10		EFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)c1	ZINC000014010997	471848210	/nfs/dbraw/zinc/84/82/10/471848210.db2.gz	MOTZUNWKNYXVQX-LFIBNONCSA-N	-1	0	336.347	2.670	50	10		EFCARM
CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000016667344	471947451	/nfs/dbraw/zinc/94/74/51/471947451.db2.gz	IBXAHTBVZLSCMC-PTNGSMBKSA-N	-1	0	338.363	2.555	50	10		EFCARM
CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OC)c2[O-])SC1=S	ZINC000016676145	471947882	/nfs/dbraw/zinc/94/78/82/471947882.db2.gz	RTIALJXXXKEIIE-BJMVGYQFSA-N	-1	0	340.382	2.530	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C)c3)C2=O)cc1	ZINC000016662469	471948065	/nfs/dbraw/zinc/94/80/65/471948065.db2.gz	PXFSVSAFIUNVFJ-LFIBNONCSA-N	-1	0	335.363	2.882	50	10		EFCARM
CCN1C(=O)/C(=C\c2ccccc2OCCC(=O)[O-])SC1=S	ZINC000016905297	471952274	/nfs/dbraw/zinc/95/22/74/471952274.db2.gz	PZQFASIVYOYQMH-FMIVXFBMSA-N	-1	0	337.422	2.761	50	10		EFCARM
CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C(=O)[O-]	ZINC000206166293	721899545	/nfs/dbraw/zinc/89/95/45/721899545.db2.gz	JYHKKWAJHJKKMO-VFZGTOFNSA-N	-1	0	333.384	2.704	50	10		EFCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNN1CCCCC1	ZINC000033929778	1099158885	/nfs/dbraw/zinc/15/88/85/1099158885.db2.gz	CXQDCUNPSCFYGG-JLHYYAGUSA-N	-1	0	348.790	2.638	50	10		EFCARM
O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=S)NC2=O)c1	ZINC000004674127	210242289	/nfs/dbraw/zinc/24/22/89/210242289.db2.gz	TWEFHBAESRBJMB-XYOKQWHBSA-N	-1	0	330.390	2.664	50	10		EFCARM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C)c1	ZINC000097963976	219065295	/nfs/dbraw/zinc/06/52/95/219065295.db2.gz	HZDIIPHAEGVWBG-BZROSYFNSA-N	-1	0	335.367	2.944	50	10		EFCARM
CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCC2	ZINC000004646350	210237598	/nfs/dbraw/zinc/23/75/98/210237598.db2.gz	VKYWOVJNFNNCHL-UHFFFAOYSA-N	-1	0	325.386	2.607	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1	ZINC000004482076	210199648	/nfs/dbraw/zinc/19/96/48/210199648.db2.gz	QXPLONXNECTSQK-UVTDQMKNSA-N	-1	0	343.180	2.911	50	10		EFCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S	ZINC000004357031	210179525	/nfs/dbraw/zinc/17/95/25/210179525.db2.gz	MWZHPCUQVDLZEM-FLIBITNWSA-N	-1	0	325.386	2.892	50	10		EFCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	ZINC000001806900	209795293	/nfs/dbraw/zinc/79/52/93/209795293.db2.gz	IZMJTWCXUUYGLB-DHZHZOJOSA-N	-1	0	325.386	2.892	50	10		EFCARM
O=C([O-])CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	ZINC000000969831	209697381	/nfs/dbraw/zinc/69/73/81/209697381.db2.gz	GCRBQKXOMBELDV-GHXNOFRVSA-N	-1	0	332.406	2.844	50	10		EFCARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C	ZINC000000061777	209396066	/nfs/dbraw/zinc/39/60/66/209396066.db2.gz	AVPVMDAXUOLASA-MHWRWJLKSA-N	-1	0	337.335	2.673	50	10		EFCARM
O=c1c2ccc([O-])c(CN3CCOCC3)c2occ1-c1ccccc1	ZINC000019770753	212063096	/nfs/dbraw/zinc/06/30/96/212063096.db2.gz	VFWZRNWEXUGWGH-UHFFFAOYSA-N	-1	0	337.375	2.998	50	10	biogenic,in-vitro	EFCARM
O=C1[N-]C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1c[nH]c2ccccc12	ZINC000008995842	211029764	/nfs/dbraw/zinc/02/97/64/211029764.db2.gz	IMJCKBGLICSZHH-ACLQVGRQSA-N	-1	0	339.351	2.649	50	10		EFCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1ccco1	ZINC000002282584	284855649	/nfs/dbraw/zinc/85/56/49/284855649.db2.gz	RVOZFJAPMHWAMU-GXDHUFHOSA-N	-1	0	328.299	2.964	50	10		EFCARM
CC(C)C[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000000101177	279193300	/nfs/dbraw/zinc/19/33/00/279193300.db2.gz	FKCINNAUPBOGSI-HNNXBMFYSA-N	-1	0	345.395	2.576	50	10	biogenic	EFCARM
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000000108124	471324557	/nfs/dbraw/zinc/32/45/57/471324557.db2.gz	BVJMLDKUCLEGQT-DHDCSXOGSA-N	-1	0	343.379	2.713	50	10		EFCARM
O=[N+]([O-])c1ccc([O-])c([C@H](C#Cc2ccccc2)N2CCOCC2)c1	ZINC000000174205	471330081	/nfs/dbraw/zinc/33/00/81/471330081.db2.gz	NNUMAVFPEBRJND-SFHVURJKSA-N	-1	0	338.363	2.725	50	10		EFCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)c1	ZINC000000179571	471331101	/nfs/dbraw/zinc/33/11/01/471331101.db2.gz	BHKVUZDZWJNEBA-MHWRWJLKSA-N	-1	0	336.347	2.675	50	10		EFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(C)s2)C1=O	ZINC000000341300	471349381	/nfs/dbraw/zinc/34/93/81/471349381.db2.gz	QALOKZHJOKYOGG-XFXZXTDPSA-N	-1	0	342.376	2.732	50	10		EFCARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)o1	ZINC000000502342	471366087	/nfs/dbraw/zinc/36/60/87/471366087.db2.gz	FCXZLWGRWONKFT-PTNGSMBKSA-N	-1	0	328.368	2.940	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(Br)c1	ZINC000013943910	471845916	/nfs/dbraw/zinc/84/59/16/471845916.db2.gz	QXPLONXNECTSQK-GXDHUFHOSA-N	-1	0	343.180	2.911	50	10		EFCARM
COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1	ZINC000016667594	471947282	/nfs/dbraw/zinc/94/72/82/471947282.db2.gz	HJNHBTUPGKWFQR-DHDCSXOGSA-N	-1	0	328.755	2.810	50	10		EFCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O	ZINC000005061512	717892864	/nfs/dbraw/zinc/89/28/64/717892864.db2.gz	GGSPVYFMLPFWTL-WQLSENKSSA-N	-1	0	330.727	2.692	50	10		EFCARM
Cc1[nH]c2c(C(=O)[O-])cnn2c(=O)c1Cc1c(F)cccc1Cl	ZINC000103795338	219324592	/nfs/dbraw/zinc/32/45/92/219324592.db2.gz	PUGYIZAUDUFFAR-UHFFFAOYSA-N	-1	0	335.722	2.825	50	10		EFCARM
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000036366432	213091186	/nfs/dbraw/zinc/09/11/86/213091186.db2.gz	PZEYNCJTGOFSFQ-UHFFFAOYSA-N	-1	0	343.408	2.996	50	10		EFCARM
O=c1oc2c(ccc([O-])c2CN2CCOCC2)cc1-c1ccccc1	ZINC000020605478	212152995	/nfs/dbraw/zinc/15/29/95/212152995.db2.gz	KWHLYUUHTKVQIQ-UHFFFAOYSA-N	-1	0	337.375	2.998	50	10		EFCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1c[nH]c2ccccc12	ZINC000000084752	296356724	/nfs/dbraw/zinc/35/67/24/296356724.db2.gz	CWXOZAXGQUQACD-GDNBJRDFSA-N	-1	0	337.379	2.962	50	10	biogenic	EFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(F)cc1	ZINC000000267913	296359327	/nfs/dbraw/zinc/35/93/27/296359327.db2.gz	OZJYTJXHCNXQLG-NTEUORMPSA-N	-1	0	344.342	2.796	50	10		EFCARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000005090913	210387903	/nfs/dbraw/zinc/38/79/03/210387903.db2.gz	ZUIYNXNWLGPBLJ-UHFFFAOYSA-N	-1	0	328.733	2.755	50	10		EFCARM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O	ZINC000004783817	210277070	/nfs/dbraw/zinc/27/70/70/210277070.db2.gz	IIKIKCKWHQOBAL-NTCAYCPXSA-N	-1	0	342.395	2.880	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(F)c2)SC1=S	ZINC000006080707	286746848	/nfs/dbraw/zinc/74/68/48/286746848.db2.gz	IQJOXURVVVYNKG-VUBLIPMDSA-N	-1	0	325.386	2.890	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000001795833	286746852	/nfs/dbraw/zinc/74/68/52/286746852.db2.gz	JKWRWKBRCJRSKM-QBQSQJOESA-N	-1	0	325.386	2.890	50	10		EFCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000003026687	276881427	/nfs/dbraw/zinc/88/14/27/276881427.db2.gz	JPQVIECVGZCZEK-LFIBNONCSA-N	-1	0	341.798	2.867	50	10		EFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000000063172	295053101	/nfs/dbraw/zinc/05/31/01/295053101.db2.gz	ULDOZMBOSYILHW-LFIBNONCSA-N	-1	0	336.347	2.670	50	10		EFCARM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc[nH]2)C1=O	ZINC000035974034	301599566	/nfs/dbraw/zinc/59/95/66/301599566.db2.gz	YVEVFLQLKWLMHN-XYOKQWHBSA-N	-1	0	329.743	2.643	50	10		EFCARM
Cc1ccccc1N1C(=O)/C(=C\c2ccc(F)cc2)C(=O)[N-]C1=S	ZINC000004833733	302103625	/nfs/dbraw/zinc/10/36/25/302103625.db2.gz	QBGWQRJEBIHCTI-UVTDQMKNSA-N	-1	0	340.379	2.965	50	10		EFCARM
O=c1[n-]n2c([nH]c3c(c2=O)CCC3)c1N=Nc1cccc(Cl)c1	ZINC000096318744	473374784	/nfs/dbraw/zinc/37/47/84/473374784.db2.gz	QXEIKYKOOSHBSW-VHEBQXMUSA-N	-1	0	329.747	2.873	50	10		EFCARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C	ZINC000000073671	471319262	/nfs/dbraw/zinc/31/92/62/471319262.db2.gz	GQOWDTZNHWFOPH-UHFFFAOYSA-N	-1	0	335.381	2.816	50	10		EFCARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)c1	ZINC000000073677	471319406	/nfs/dbraw/zinc/31/94/06/471319406.db2.gz	KEQHMHOXZFBGJU-UHFFFAOYSA-N	-1	0	335.381	2.816	50	10		EFCARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000000179614	471331589	/nfs/dbraw/zinc/33/15/89/471331589.db2.gz	YAQFLHYLHKCYKB-JYRVWZFOSA-N	-1	0	330.727	2.908	50	10		EFCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)cc2)C1=O	ZINC000000314036	471346750	/nfs/dbraw/zinc/34/67/50/471346750.db2.gz	POTMFZVARAMQAK-FOWTUZBSSA-N	-1	0	349.390	2.727	50	10		EFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000000454241	471362568	/nfs/dbraw/zinc/36/25/68/471362568.db2.gz	JXBLCRKRNDYWHK-RAXLEYEMSA-N	-1	0	340.310	2.501	50	10		EFCARM
CCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O	ZINC000000967006	471378237	/nfs/dbraw/zinc/37/82/37/471378237.db2.gz	QVFVUVSYXYZIFQ-FMIVXFBMSA-N	-1	0	337.422	2.761	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)SC1=S	ZINC000000969032	471378398	/nfs/dbraw/zinc/37/83/98/471378398.db2.gz	LRJQHOUCPHCLRC-UITAMQMPSA-N	-1	0	347.339	2.991	50	10		EFCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000001213676	471384088	/nfs/dbraw/zinc/38/40/88/471384088.db2.gz	KYMQJVKZKTWEJE-RDQDRAATSA-N	-1	0	337.422	2.703	50	10		EFCARM
Cc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)o1	ZINC000001803629	471398544	/nfs/dbraw/zinc/39/85/44/471398544.db2.gz	YAQFUYCVNCGFPK-YAEJEKNGSA-N	-1	0	325.411	2.898	50	10		EFCARM
CCCC[C@@H]([NH2+]Cc1c([O-])ccc2c(CC)cc(=O)oc21)C(=O)[O-]	ZINC000002139794	471402233	/nfs/dbraw/zinc/40/22/33/471402233.db2.gz	LANFBFCBSQKIKP-CQSZACIVSA-N	-1	0	333.384	2.794	50	10	biogenic	EFCARM
CCCC[C@H]([NH2+]Cc1c([O-])ccc2c(CC)cc(=O)oc21)C(=O)[O-]	ZINC000002139793	471403229	/nfs/dbraw/zinc/40/32/29/471403229.db2.gz	LANFBFCBSQKIKP-AWEZNQCLSA-N	-1	0	333.384	2.794	50	10	biogenic	EFCARM
CC(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000002470670	471408518	/nfs/dbraw/zinc/40/85/18/471408518.db2.gz	MZQGNILNUZYNSG-CQSZACIVSA-N	-1	0	327.296	2.667	50	10		EFCARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000002901583	471427479	/nfs/dbraw/zinc/42/74/79/471427479.db2.gz	WSPZDJRNGPJNSL-HQQGHWSLSA-N	-1	0	337.422	2.847	50	10		EFCARM
Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1Cl	ZINC000002892113	471427874	/nfs/dbraw/zinc/42/78/74/471427874.db2.gz	GYCWHBBYCARTAV-UHFFFAOYSA-N	-1	0	330.727	2.658	50	10		EFCARM
CC(C)(C)c1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(C(C)(C)C)c1O	ZINC000003148912	471434725	/nfs/dbraw/zinc/43/47/25/471434725.db2.gz	NKOUDWIMOKKMNQ-UHFFFAOYSA-N	-1	0	344.411	2.737	50	10		EFCARM
CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000004749675	471473236	/nfs/dbraw/zinc/47/32/36/471473236.db2.gz	XEJBAUCIBQPVLC-QLJPJBMISA-N	-1	0	345.395	2.576	50	10		EFCARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000004795549	471475500	/nfs/dbraw/zinc/47/55/00/471475500.db2.gz	NWTMBZAOESKGQC-SERMCNLOSA-N	-1	0	337.422	2.847	50	10		EFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)c1	ZINC000004832001	471476004	/nfs/dbraw/zinc/47/60/04/471476004.db2.gz	SHJMMJGOMYZRCE-GDNBJRDFSA-N	-1	0	339.326	2.713	50	10		EFCARM
CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000005392643	471503358	/nfs/dbraw/zinc/50/33/58/471503358.db2.gz	YXSLYUGNTCNVHU-UHFFFAOYSA-N	-1	0	346.412	2.870	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)s1	ZINC000013546492	471832852	/nfs/dbraw/zinc/83/28/52/471832852.db2.gz	WFPXHTSKELTGHL-MDWZMJQESA-N	-1	0	330.340	2.862	50	10		EFCARM
COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1Cl	ZINC000014223100	471863314	/nfs/dbraw/zinc/86/33/14/471863314.db2.gz	OLGYOPRDBQHSPP-UHFFFAOYSA-N	-1	0	339.760	2.686	50	10		EFCARM
O=C1[N-]C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1c[nH]c2ccccc12	ZINC000017043987	471953430	/nfs/dbraw/zinc/95/34/30/471953430.db2.gz	IMJCKBGLICSZHH-ZBQKXELDSA-N	-1	0	339.351	2.649	50	10		EFCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1	ZINC000017086520	471956685	/nfs/dbraw/zinc/95/66/85/471956685.db2.gz	OTEMPXXKZPTOOB-PTNGSMBKSA-N	-1	0	335.363	2.882	50	10		EFCARM
CCCCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000019595316	471982232	/nfs/dbraw/zinc/98/22/32/471982232.db2.gz	XAEDPGYAJYOPOZ-KAMYIIQDSA-N	-1	0	349.818	2.977	50	10		EFCARM
Cc1ccc(C2=NN(C(=O)/C=C/C(=O)[O-])[C@H](c3ccccc3O)C2)o1	ZINC000080316126	473013871	/nfs/dbraw/zinc/01/38/71/473013871.db2.gz	ZKIUPPXJHIVVPF-VFNNOXKTSA-N	-1	0	340.335	2.612	50	10		EFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1	ZINC000000062750	524532999	/nfs/dbraw/zinc/53/29/99/524532999.db2.gz	IISYXYQAEVGIIX-SFQUDFHCSA-N	-1	0	349.390	2.727	50	10		EFCARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000004745661	210267388	/nfs/dbraw/zinc/26/73/88/210267388.db2.gz	VMDVEVOKSMZOLJ-UEUZTHOGSA-N	-1	0	325.411	2.980	50	10		EFCARM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000004704620	210252785	/nfs/dbraw/zinc/25/27/85/210252785.db2.gz	WZRLSNKYDSDBNE-UHFFFAOYSA-N	-1	0	341.279	2.753	50	10		EFCARM
Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1[N+](=O)[O-]	ZINC000004704211	210252836	/nfs/dbraw/zinc/25/28/36/210252836.db2.gz	OHPXEFMTINCSME-UHFFFAOYSA-N	-1	0	341.279	2.753	50	10		EFCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2F)C1=O	ZINC000100103990	219091480	/nfs/dbraw/zinc/09/14/80/219091480.db2.gz	WKYJEPQSVDMUKZ-BENRWUELSA-N	-1	0	339.326	2.713	50	10		EFCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000000120235	282280237	/nfs/dbraw/zinc/28/02/37/282280237.db2.gz	ISPSSQXYSNXBET-VBKFSLOCSA-N	-1	0	341.411	2.547	50	10		EFCARM
Cc1c(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cccc1[N+](=O)[O-]	ZINC000002978919	209949407	/nfs/dbraw/zinc/94/94/07/209949407.db2.gz	LIGJHQIAALEEFD-UHFFFAOYSA-N	-1	0	341.279	2.753	50	10		EFCARM
CCCC[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000001891580	282918769	/nfs/dbraw/zinc/91/87/69/282918769.db2.gz	DLDKOKSGPLDRRT-OAHLLOKOSA-N	-1	0	345.395	2.720	50	10		EFCARM
O=C([O-])c1ccccc1/N=N/c1ccc(N(CCO)CCO)cc1	ZINC000005421164	257845215	/nfs/dbraw/zinc/84/52/15/257845215.db2.gz	KAOXHXDKFGCWPK-VHEBQXMUSA-N	-1	0	329.356	2.591	50	10		EFCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1	ZINC000002900525	275024465	/nfs/dbraw/zinc/02/44/65/275024465.db2.gz	GXEMIDVEZOUXMK-GXDHUFHOSA-N	-1	0	343.180	2.911	50	10		EFCARM
COc1ccc(O)c([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000000187840	471332565	/nfs/dbraw/zinc/33/25/65/471332565.db2.gz	AIUHVHYSEJBVRF-YJBOKZPZSA-N	-1	0	338.363	2.570	50	10		EFCARM
CCC(=O)Oc1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000000210787	471335387	/nfs/dbraw/zinc/33/53/87/471335387.db2.gz	AMRKABIVIAIRKR-UHFFFAOYSA-N	-1	0	329.308	2.658	50	10	biogenic	EFCARM
Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000000303457	471344556	/nfs/dbraw/zinc/34/45/56/471344556.db2.gz	DNCFCRYCPNFPQP-UHFFFAOYSA-N	-1	0	344.436	2.800	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1	ZINC000000312858	471347378	/nfs/dbraw/zinc/34/73/78/471347378.db2.gz	QJHNHZDMOWIDCL-XYOKQWHBSA-N	-1	0	341.279	2.690	50	10		EFCARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C)C2	ZINC000000356520	471350750	/nfs/dbraw/zinc/35/07/50/471350750.db2.gz	YQBOXYLARGFHPN-VIFPVBQESA-N	-1	0	339.413	2.853	50	10		EFCARM
CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000000446843	471361524	/nfs/dbraw/zinc/36/15/24/471361524.db2.gz	LOJOCZYRBYKQHR-XYOKQWHBSA-N	-1	0	341.279	2.787	50	10		EFCARM
O=C([O-])CCCCCN1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000001799379	471398413	/nfs/dbraw/zinc/39/84/13/471398413.db2.gz	TYBBOBJQIAPFRA-FMIVXFBMSA-N	-1	0	336.438	2.928	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)cc1Cl	ZINC000004845811	471476660	/nfs/dbraw/zinc/47/66/60/471476660.db2.gz	TWEZSFNUNPXYNH-JYRVWZFOSA-N	-1	0	343.770	2.653	50	10		EFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)s3)C2=O)c1	ZINC000009356910	471715649	/nfs/dbraw/zinc/71/56/49/471715649.db2.gz	WPRWCFWLPLLWPY-NTEUORMPSA-N	-1	0	342.376	2.732	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(O)c1	ZINC000014011205	471848415	/nfs/dbraw/zinc/84/84/15/471848415.db2.gz	YGTUQFWHSVGJON-NTEUORMPSA-N	-1	0	342.738	2.712	50	10		EFCARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000027530416	472179694	/nfs/dbraw/zinc/17/96/94/472179694.db2.gz	RPNMZAXGOJRFQL-LAPSENCUSA-N	-1	0	336.438	2.782	50	10		EFCARM
Cc1ccc(C2=NN(C(=O)/C=C/C(=O)[O-])[C@@H](c3ccccc3O)C2)o1	ZINC000080316130	473014335	/nfs/dbraw/zinc/01/43/35/473014335.db2.gz	ZKIUPPXJHIVVPF-MYSGNRETSA-N	-1	0	340.335	2.612	50	10		EFCARM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1C	ZINC000226095378	536597016	/nfs/dbraw/zinc/59/70/16/536597016.db2.gz	LTSMQBZRYXONJR-XNTDXEJSSA-N	-1	0	326.327	2.604	50	10		EFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3sccc3C)C2=O)c1	ZINC000000440962	1303492898	/nfs/dbraw/zinc/49/28/98/1303492898.db2.gz	CSMOZOIASYENNB-LCYFTJDESA-N	-1	0	342.376	2.732	50	10		EFCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O	ZINC000005067561	717898499	/nfs/dbraw/zinc/89/84/99/717898499.db2.gz	VFUPDCOOIRUUAB-WQLSENKSSA-N	-1	0	330.727	2.692	50	10		EFCARM
CCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S	ZINC000002816774	715373306	/nfs/dbraw/zinc/37/33/06/715373306.db2.gz	CGEULIZJFCDBNX-UKTHLTGXSA-N	-1	0	327.409	2.595	50	10		EFCARM
Cc1cc([O-])c(CN2CCOCC2)c2oc(=O)c3ccccc3c12	ZINC000020412555	202041738	/nfs/dbraw/zinc/04/17/38/202041738.db2.gz	BCHASJXEOCLJRS-UHFFFAOYSA-N	-1	0	325.364	2.792	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S	ZINC000001601175	201512928	/nfs/dbraw/zinc/51/29/28/201512928.db2.gz	JSOGWGYVQYGXMT-GHXNOFRVSA-N	-1	0	330.390	2.521	50	10		EFCARM
O=C([O-])[C@@H]1Nc2c(I)cccc2[C@H]2C=CC[C@@H]21	ZINC000004409917	304154872	/nfs/dbraw/zinc/15/48/72/304154872.db2.gz	CNQHYGCDWZHJEN-VFWDIBGWSA-N	-1	0	341.148	2.830	50	10	biogenic,in-vitro	EFCARM
COc1cccc(N=Nc2c(=O)[nH]n3c2[nH]c2c(c3=O)CCCC2)c1	ZINC000103674881	204085306	/nfs/dbraw/zinc/08/53/06/204085306.db2.gz	JCVAGZLMOZTQMN-FMQUCBEESA-N	-1	0	339.355	2.619	50	10		EFCARM
O=C1[N-]C(=O)C(=CC=Cc2coc3ccc(Cl)cc3c2=O)C(=O)N1	ZINC000016956225	211943371	/nfs/dbraw/zinc/94/33/71/211943371.db2.gz	PHYHFYLKCDMKRQ-OWOJBTEDSA-N	-1	0	344.710	2.592	50	10		EFCARM
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000000114145	206208096	/nfs/dbraw/zinc/20/80/96/206208096.db2.gz	QUHHPTFFTXDUAA-UHFFFAOYSA-N	-1	0	333.394	2.695	50	10		EFCARM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1O	ZINC000000447002	206241157	/nfs/dbraw/zinc/24/11/57/206241157.db2.gz	GRRPOXCUAPPXSN-MDWZMJQESA-N	-1	0	344.754	2.516	50	10		EFCARM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Cl	ZINC000002550733	206386415	/nfs/dbraw/zinc/38/64/15/206386415.db2.gz	LTMPRTMEHNNTIQ-UHFFFAOYSA-N	-1	0	327.745	2.545	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1	ZINC000001295377	284779233	/nfs/dbraw/zinc/77/92/33/284779233.db2.gz	CMPOSTXJWTUOKQ-DHZHZOJOSA-N	-1	0	343.320	2.859	50	10		EFCARM
O=c1[nH]nc2[n-]c3c(c(-c4ccc(O)c(O)c4)c1-2)C(=O)c1ccccc1-3	ZINC000018196155	285018882	/nfs/dbraw/zinc/01/88/82/285018882.db2.gz	SQLSIDFAENUMRB-UHFFFAOYSA-N	-1	0	345.314	2.953	50	10		EFCARM
O=Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000004180429	285031716	/nfs/dbraw/zinc/03/17/16/285031716.db2.gz	MXVDJPGYMFNDAS-DHDCSXOGSA-N	-1	0	326.739	2.614	50	10		EFCARM
CCN1c2ccccc2C=C/C1=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000002895918	285472411	/nfs/dbraw/zinc/47/24/11/285472411.db2.gz	GQDXQDWDWXXKQR-OWBHPGMISA-N	-1	0	346.433	2.696	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CC=CNc1ccccc1	ZINC000002296253	135657212	/nfs/dbraw/zinc/65/72/12/135657212.db2.gz	PWHCUBSAHHFKLU-QDIIEIGVSA-N	-1	0	333.347	2.822	50	10		EFCARM
Cc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)cc1	ZINC000005968499	292126760	/nfs/dbraw/zinc/12/67/60/292126760.db2.gz	SVEHQERHERVKSZ-UKTHLTGXSA-N	-1	0	328.418	2.888	50	10		EFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000001225799	277868294	/nfs/dbraw/zinc/86/82/94/277868294.db2.gz	IKKQHDRQBXWMCL-RVDMUPIBSA-N	-1	0	338.388	2.527	50	10		EFCARM
CC(C)[C@@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-]	ZINC000004749669	279907814	/nfs/dbraw/zinc/90/78/14/279907814.db2.gz	NMRFVFDGPIFWRI-MRXNPFEDSA-N	-1	0	341.363	2.851	50	10		EFCARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000084715592	281699615	/nfs/dbraw/zinc/69/96/15/281699615.db2.gz	BYVWRUPWZYBGOZ-HOBGCTPMSA-N	-1	0	330.200	2.907	50	10		EFCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000000179644	471331386	/nfs/dbraw/zinc/33/13/86/471331386.db2.gz	ACUIBPNDLZTPFL-RVDMUPIBSA-N	-1	0	336.347	2.670	50	10		EFCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccco1	ZINC000000228785	471339111	/nfs/dbraw/zinc/33/91/11/471339111.db2.gz	GDBUFRSAUBQKNZ-XYOKQWHBSA-N	-1	0	332.768	2.764	50	10		EFCARM
COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000000453567	471361939	/nfs/dbraw/zinc/36/19/39/471361939.db2.gz	URQKCKQDZPBOMW-BENRWUELSA-N	-1	0	340.310	2.501	50	10		EFCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/C=C/c1ccco1	ZINC000000506895	471366387	/nfs/dbraw/zinc/36/63/87/471366387.db2.gz	ADIAHUJSBVIDEF-BOAPOFAJSA-N	-1	0	326.283	2.641	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1Cl	ZINC000001255907	471383638	/nfs/dbraw/zinc/38/36/38/471383638.db2.gz	CYZLYHHQWPPPIM-DHZHZOJOSA-N	-1	0	346.726	2.812	50	10		EFCARM
O=C([O-])[C@@H](NC1=NC(=O)C(=Cc2ccco2)S1)C1CCCCC1	ZINC000001395031	471388863	/nfs/dbraw/zinc/38/88/63/471388863.db2.gz	NWJFNOJMQJWNSR-SRXBQZRASA-N	-1	0	334.397	2.873	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S	ZINC000002237007	471403701	/nfs/dbraw/zinc/40/37/01/471403701.db2.gz	OUGYQLWAOAEYQU-BKLZJWBFSA-N	-1	0	337.422	2.760	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S	ZINC000002241922	471404234	/nfs/dbraw/zinc/40/42/34/471404234.db2.gz	XYEZQKRNHXYQLM-QBQSQJOESA-N	-1	0	347.421	2.627	50	10		EFCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2O)SC1=S	ZINC000002820965	471423969	/nfs/dbraw/zinc/42/39/69/471423969.db2.gz	QCZXCYPLOQQSTI-RDQDRAATSA-N	-1	0	337.422	2.703	50	10		EFCARM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000004075400	471458332	/nfs/dbraw/zinc/45/83/32/471458332.db2.gz	BQGYONAFKIDXNL-QINSGFPZSA-N	-1	0	335.363	2.828	50	10		EFCARM
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](CC(C)C)C(=O)[O-]	ZINC000004028744	471458594	/nfs/dbraw/zinc/45/85/94/471458594.db2.gz	OFVNPLAULYDWCR-CQSZACIVSA-N	-1	0	333.384	2.650	50	10	biogenic	EFCARM
CCOc1ccc(N2C(=O)/C(=C\c3ccco3)C(=O)[N-]C2=S)cc1	ZINC000004465111	471465565	/nfs/dbraw/zinc/46/55/65/471465565.db2.gz	RECXNVIDPLENGY-UVTDQMKNSA-N	-1	0	342.376	2.510	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc2c(c1)OCO2	ZINC000008743020	471704111	/nfs/dbraw/zinc/70/41/11/471704111.db2.gz	JUNFNNULXMKDRD-WUXMJOGZSA-N	-1	0	340.291	2.511	50	10		EFCARM
Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000009318207	471713825	/nfs/dbraw/zinc/71/38/25/471713825.db2.gz	ZVJAZRIPTCMBMG-UHFFFAOYSA-N	-1	0	330.727	2.658	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccco1	ZINC000013111298	471816393	/nfs/dbraw/zinc/81/63/93/471816393.db2.gz	NJUKUSJSWYRLAQ-JPAWQYAOSA-N	-1	0	340.310	2.637	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)o1	ZINC000013774164	471842452	/nfs/dbraw/zinc/84/24/52/471842452.db2.gz	FCXZLWGRWONKFT-RVDMUPIBSA-N	-1	0	328.368	2.940	50	10		EFCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccoc1	ZINC000015659373	471913481	/nfs/dbraw/zinc/91/34/81/471913481.db2.gz	RSERBHSHIVEFPC-SDQBBNPISA-N	-1	0	332.768	2.764	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2	ZINC000016102512	471925868	/nfs/dbraw/zinc/92/58/68/471925868.db2.gz	AUZSPYBTAQYPEF-SDQBBNPISA-N	-1	0	342.738	2.530	50	10		EFCARM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000016677882	471947509	/nfs/dbraw/zinc/94/75/09/471947509.db2.gz	WLEIQQOTWUODSD-UVTDQMKNSA-N	-1	0	328.755	2.810	50	10		EFCARM
CCC[C@@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-]	ZINC000016810556	471950487	/nfs/dbraw/zinc/95/04/87/471950487.db2.gz	XFZQKDYRBICSHS-OAHLLOKOSA-N	-1	0	341.363	2.995	50	10		EFCARM
CC1(C)OC(=CC=C2C(=O)[N-]C(=O)NC2=O)C=C(c2ccccc2)O1	ZINC000017028130	471953196	/nfs/dbraw/zinc/95/31/96/471953196.db2.gz	MKPULMPYJJPLDZ-WQLSENKSSA-N	-1	0	340.335	2.827	50	10		EFCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000100364120	472527378	/nfs/dbraw/zinc/52/73/78/472527378.db2.gz	PYUSZIKCGINRMK-PTNGSMBKSA-N	-1	0	335.363	2.882	50	10		EFCARM
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3O)C2)o1	ZINC000080316116	473014102	/nfs/dbraw/zinc/01/41/02/473014102.db2.gz	MCCAOKMALDFUMD-AWEZNQCLSA-N	-1	0	342.351	2.836	50	10		EFCARM
CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1	ZINC000012504544	500711146	/nfs/dbraw/zinc/71/11/46/500711146.db2.gz	AYUXOHIOPIWDOF-XFXZXTDPSA-N	-1	0	337.422	2.761	50	10		EFCARM
COc1cccc(N2C(=O)/C(=C/c3ccsc3)C(=O)[N-]C2=S)c1	ZINC000000045635	526137667	/nfs/dbraw/zinc/13/76/67/526137667.db2.gz	CCBYUPOQLAOTOH-NTUHNPAUSA-N	-1	0	344.417	2.588	50	10		EFCARM
COc1cccc(N2C(=O)C(=Cc3ccc[nH]3)C(=O)[N-]C2=S)c1	ZINC000000045633	526138137	/nfs/dbraw/zinc/13/81/37/526138137.db2.gz	XRROVPWRCLRNCD-MDWZMJQESA-N	-1	0	327.365	2.695	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000001225702	1306568565	/nfs/dbraw/zinc/56/85/65/1306568565.db2.gz	RXHBGFUGZMNJRE-LYXWDPSCSA-N	-1	0	332.359	2.905	50	10		EFCARM
Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)o1	ZINC000005044048	717886348	/nfs/dbraw/zinc/88/63/48/717886348.db2.gz	QQSPXEAXHMUTNX-ZROIWOOFSA-N	-1	0	326.377	2.728	50	10		EFCARM
CCOC(=O)c1cnc2c(N=Nc3ccc(C)cc3)c(=O)[n-]n2c1N	ZINC000097944944	219063784	/nfs/dbraw/zinc/06/37/84/219063784.db2.gz	JVBOOIFNBUDJFO-FMQUCBEESA-N	-1	0	340.343	2.505	50	10		EFCARM
CCOc1ccc(N=Nc2c(N)[n-]n3c2nc2c(c3=O)CCC2)cc1	ZINC000004649607	210236504	/nfs/dbraw/zinc/23/65/04/210236504.db2.gz	QPZMDPOGAMVMAG-QZQOTICOSA-N	-1	0	338.371	2.908	50	10		EFCARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(N)cc2)c1=O	ZINC000100502040	219100482	/nfs/dbraw/zinc/10/04/82/219100482.db2.gz	OZCICMQBZNWGLN-UHFFFAOYSA-N	-1	0	337.379	2.952	50	10		EFCARM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000004193754	210143272	/nfs/dbraw/zinc/14/32/72/210143272.db2.gz	PQOKULPJJBJEDO-AWPPVZKDSA-N	-1	0	336.438	2.926	50	10		EFCARM
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC	ZINC000004098510	210119348	/nfs/dbraw/zinc/11/93/48/210119348.db2.gz	IMEYGBIXGJLUIS-UHFFFAOYSA-N	-1	0	330.292	2.594	50	10	biogenic,in-vitro	EFCARM
CSc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000033318264	212923683	/nfs/dbraw/zinc/92/36/83/212923683.db2.gz	FCOTYSVZGQLRTI-POHAHGRESA-N	-1	0	325.436	2.694	50	10		EFCARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000000356523	209548334	/nfs/dbraw/zinc/54/83/34/209548334.db2.gz	YQBOXYLARGFHPN-SECBINFHSA-N	-1	0	339.413	2.853	50	10		EFCARM
CCC[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000004025703	283563417	/nfs/dbraw/zinc/56/34/17/283563417.db2.gz	XYIXRUSSFODCSE-OAHLLOKOSA-N	-1	0	345.395	2.720	50	10	biogenic	EFCARM
O=C([O-])[C@@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@@H]21	ZINC000101638882	304154819	/nfs/dbraw/zinc/15/48/19/304154819.db2.gz	CNQHYGCDWZHJEN-QOSJWCAFSA-N	-1	0	341.148	2.830	50	10	biogenic,in-vitro	EFCARM
Cc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc2c1O[C@@H](C)C2	ZINC000012062568	211284327	/nfs/dbraw/zinc/28/43/27/211284327.db2.gz	ITFPQWMNTHISHM-TXEUWIOXSA-N	-1	0	349.433	2.604	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNN1CCCCCC1	ZINC000006927524	296312288	/nfs/dbraw/zinc/31/22/88/296312288.db2.gz	XMOUETDSFIOWGG-WYMLVPIESA-N	-1	0	344.440	2.539	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccsc1	ZINC000004723734	296359261	/nfs/dbraw/zinc/35/92/61/296359261.db2.gz	LXAUSWCTUDDPJH-GHXNOFRVSA-N	-1	0	332.381	2.719	50	10		EFCARM
COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])CCC2	ZINC000005022300	210365855	/nfs/dbraw/zinc/36/58/55/210365855.db2.gz	OQGVFRQCGIFXFF-NXEZZACHSA-N	-1	0	349.408	2.629	50	10		EFCARM
Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1	ZINC000001247943	292040127	/nfs/dbraw/zinc/04/01/27/292040127.db2.gz	UIICAWPUTNYKGD-JYRVWZFOSA-N	-1	0	330.340	2.970	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(F)c2)SC1=S	ZINC000006080792	287512883	/nfs/dbraw/zinc/51/28/83/287512883.db2.gz	IQJOXURVVVYNKG-UEUZTHOGSA-N	-1	0	325.386	2.890	50	10		EFCARM
Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000002990171	281345662	/nfs/dbraw/zinc/34/56/62/281345662.db2.gz	PKHOTXFDWFMUGO-PTNGSMBKSA-N	-1	0	335.363	2.569	50	10		EFCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1	ZINC000000344826	471349799	/nfs/dbraw/zinc/34/97/99/471349799.db2.gz	ZUNZPFZBMJMPSD-MHWRWJLKSA-N	-1	0	341.798	2.867	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccco1	ZINC000000432717	471359499	/nfs/dbraw/zinc/35/94/99/471359499.db2.gz	OGXIMLCYHKUXSN-WQLSENKSSA-N	-1	0	332.768	2.764	50	10		EFCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O	ZINC000000446669	471361290	/nfs/dbraw/zinc/36/12/90/471361290.db2.gz	GGSPVYFMLPFWTL-XYOKQWHBSA-N	-1	0	330.727	2.692	50	10		EFCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc[nH]1	ZINC000000459387	471363343	/nfs/dbraw/zinc/36/33/43/471363343.db2.gz	FRHZGIUVBSUZBJ-XYOKQWHBSA-N	-1	0	349.268	2.700	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccco1	ZINC000000503787	471366740	/nfs/dbraw/zinc/36/67/40/471366740.db2.gz	WYKDCNUTBNAHLE-GSPDUGTFSA-N	-1	0	326.283	2.641	50	10		EFCARM
CSc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000001188905	471382521	/nfs/dbraw/zinc/38/25/21/471382521.db2.gz	FCOTYSVZGQLRTI-UXBLZVDNSA-N	-1	0	325.436	2.694	50	10		EFCARM
COC(=O)c1sc2cc(=O)n(-c3ccc(Cl)cc3)nc2c1[O-]	ZINC000001385311	471387834	/nfs/dbraw/zinc/38/78/34/471387834.db2.gz	ADPMFTAPUBUPSM-UHFFFAOYSA-N	-1	0	336.756	2.593	50	10		EFCARM
Cn1cccc1/C=C1/SC(=S)N(CCCCCC(=O)[O-])C1=O	ZINC000002244650	471404211	/nfs/dbraw/zinc/40/42/11/471404211.db2.gz	QBLRLFRHPFDFBZ-ZRDIBKRKSA-N	-1	0	338.454	2.871	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S	ZINC000002237005	471404570	/nfs/dbraw/zinc/40/45/70/471404570.db2.gz	OUGYQLWAOAEYQU-UVIKPUKZSA-N	-1	0	337.422	2.760	50	10		EFCARM
CN(C)c1ccc(/C=C/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000003044343	471432455	/nfs/dbraw/zinc/43/24/55/471432455.db2.gz	UEFJVVWELVDTBQ-HJSZHNSDSA-N	-1	0	348.449	2.595	50	10		EFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1C	ZINC000005752404	471520567	/nfs/dbraw/zinc/52/05/67/471520567.db2.gz	KCGMMANEICWNNT-VBKFSLOCSA-N	-1	0	349.390	2.560	50	10		EFCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S	ZINC000006660796	471557589	/nfs/dbraw/zinc/55/75/89/471557589.db2.gz	WVIJHGMNWPXQRV-LCYFTJDESA-N	-1	0	344.417	2.911	50	10		EFCARM
CC(C)[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000006852786	471574067	/nfs/dbraw/zinc/57/40/67/471574067.db2.gz	NDXUDJQPVNVPJV-MRXNPFEDSA-N	-1	0	345.395	2.576	50	10		EFCARM
COC(=O)C1=CN(C2CCCC2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000012631763	471786984	/nfs/dbraw/zinc/78/69/84/471786984.db2.gz	MBWJGSJWGXADRK-GDNBJRDFSA-N	-1	0	341.363	2.610	50	10		EFCARM
Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000016134283	471926871	/nfs/dbraw/zinc/92/68/71/471926871.db2.gz	MMSRCUVUAKLWGR-SDQBBNPISA-N	-1	0	332.406	2.762	50	10		EFCARM
COc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000016228332	471928631	/nfs/dbraw/zinc/92/86/31/471928631.db2.gz	TYBMVRYUZBTROC-UVTDQMKNSA-N	-1	0	328.755	2.810	50	10		EFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1	ZINC000016663445	471948041	/nfs/dbraw/zinc/94/80/41/471948041.db2.gz	IISYXYQAEVGIIX-ATVHPVEESA-N	-1	0	349.390	2.727	50	10		EFCARM
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3ccco3)S2)ccc1O	ZINC000016904119	471952096	/nfs/dbraw/zinc/95/20/96/471952096.db2.gz	ISWRHTRZQMKCDP-GHXNOFRVSA-N	-1	0	330.321	2.766	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(O)c(O)c1	ZINC000017042868	471953266	/nfs/dbraw/zinc/95/32/66/471953266.db2.gz	FFAIRQXEOKNZTP-JYRVWZFOSA-N	-1	0	338.319	2.600	50	10		EFCARM
Cc1nc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2[nH]1	ZINC000044890660	472348543	/nfs/dbraw/zinc/34/85/43/472348543.db2.gz	HNQPQYDGKPLOPV-UHFFFAOYSA-N	-1	0	345.409	2.677	50	10		EFCARM
CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000584904300	479277748	/nfs/dbraw/zinc/27/77/48/479277748.db2.gz	TYIQOVNMKOQECY-USXIJHARSA-N	-1	0	334.372	2.515	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1	ZINC000000085970	524392532	/nfs/dbraw/zinc/39/25/32/524392532.db2.gz	NYQNGPHWQJJDTO-XEXQVEHGSA-N	-1	0	338.319	2.511	50	10		EFCARM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000004193755	210144331	/nfs/dbraw/zinc/14/43/31/210144331.db2.gz	PQOKULPJJBJEDO-ZGSOTFDTSA-N	-1	0	336.438	2.926	50	10		EFCARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000004193747	210143526	/nfs/dbraw/zinc/14/35/26/210143526.db2.gz	RPNMZAXGOJRFQL-HBZGRHIISA-N	-1	0	336.438	2.782	50	10		EFCARM
CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])C(C)C	ZINC000004040213	210105728	/nfs/dbraw/zinc/10/57/28/210105728.db2.gz	UPVQCGYGOPISTK-MRXNPFEDSA-N	-1	0	333.384	2.650	50	10	biogenic	EFCARM
CN1C(=O)[N-]C(=O)/C(=C\c2c3ccccc3[nH]c2-c2ccccc2)C1=O	ZINC000002371117	282651250	/nfs/dbraw/zinc/65/12/50/282651250.db2.gz	TZVILGDGNQDHNP-RVDMUPIBSA-N	-1	0	345.358	2.927	50	10		EFCARM
O=C([O-])CCCCCN1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000001799380	209795530	/nfs/dbraw/zinc/79/55/30/209795530.db2.gz	TYBBOBJQIAPFRA-XFXZXTDPSA-N	-1	0	336.438	2.928	50	10		EFCARM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005371649	282889388	/nfs/dbraw/zinc/88/93/88/282889388.db2.gz	ITIMMRBHCBVKJH-UTEVDWOZSA-N	-1	0	338.454	2.870	50	10		EFCARM
C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)ccc2O1	ZINC000016810404	211936236	/nfs/dbraw/zinc/93/62/36/211936236.db2.gz	QRFKSPGPDDXUED-PGEKAQRJSA-N	-1	0	349.433	2.686	50	10		EFCARM
CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(=O)[O-])cc1	ZINC000016512747	211911046	/nfs/dbraw/zinc/91/10/46/211911046.db2.gz	YBFMROQDOOIUOY-VBKFSLOCSA-N	-1	0	335.363	2.623	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000008969502	211023891	/nfs/dbraw/zinc/02/38/91/211023891.db2.gz	BQSQMAWQPKRTPU-GXDHUFHOSA-N	-1	0	325.299	2.609	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S	ZINC000006660399	210672972	/nfs/dbraw/zinc/67/29/72/210672972.db2.gz	ZQCDUZXOBPAIBF-GHXNOFRVSA-N	-1	0	330.390	2.521	50	10		EFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccs2)C1=O	ZINC000005123739	210394336	/nfs/dbraw/zinc/39/43/36/210394336.db2.gz	ZQEQKCQLCQRCDK-BENRWUELSA-N	-1	0	342.376	2.813	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccco1	ZINC000004819782	210285825	/nfs/dbraw/zinc/28/58/25/210285825.db2.gz	WMBQPAVLDXHRBM-XYOKQWHBSA-N	-1	0	327.252	2.695	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S	ZINC000002241924	287512875	/nfs/dbraw/zinc/51/28/75/287512875.db2.gz	XYEZQKRNHXYQLM-PAKSIRSJSA-N	-1	0	347.421	2.627	50	10		EFCARM
Cc1c(C)c2ccc([O-])c(C[NH2+][C@@H](CC(C)C)C(=O)[O-])c2oc1=O	ZINC000098038076	300951804	/nfs/dbraw/zinc/95/18/04/300951804.db2.gz	ADDSHZUIJALYMV-AWEZNQCLSA-N	-1	0	333.384	2.704	50	10		EFCARM
Nc1c(C(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O	ZINC000003878830	303491960	/nfs/dbraw/zinc/49/19/60/303491960.db2.gz	LFKLTGPCMCEKPE-UHFFFAOYSA-N	-1	0	346.136	2.505	50	10		EFCARM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1	ZINC000000454316	471362158	/nfs/dbraw/zinc/36/21/58/471362158.db2.gz	NWYKELXDOFRNIE-RAXLEYEMSA-N	-1	0	340.310	2.501	50	10		EFCARM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000000459509	471363654	/nfs/dbraw/zinc/36/36/54/471363654.db2.gz	ZOIAHWKDNZYKNR-GDNBJRDFSA-N	-1	0	340.310	2.501	50	10		EFCARM
O=C([O-])CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000001147540	471382271	/nfs/dbraw/zinc/38/22/71/471382271.db2.gz	VGHWFSANLSMZOL-JYRVWZFOSA-N	-1	0	347.417	2.681	50	10		EFCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O	ZINC000002994025	471430233	/nfs/dbraw/zinc/43/02/33/471430233.db2.gz	QNLNTFJBVIUVLM-LFIBNONCSA-N	-1	0	337.379	2.576	50	10		EFCARM
CCCCN1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(O)c(OC)c2)C1=O	ZINC000006783092	471569922	/nfs/dbraw/zinc/56/99/22/471569922.db2.gz	JGHVGYRYXIMEEC-XFFZJAGNSA-N	-1	0	348.355	2.512	50	10		EFCARM
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000012661673	471789480	/nfs/dbraw/zinc/78/94/80/471789480.db2.gz	MTYHBWBJOZPTDY-MGPLVRAMSA-N	-1	0	333.384	2.650	50	10	biogenic	EFCARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000014257068	471867213	/nfs/dbraw/zinc/86/72/13/471867213.db2.gz	BFYDOTDHYCHTHH-UHFFFAOYSA-N	-1	0	339.760	2.686	50	10		EFCARM
CN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])SC1=S	ZINC000015011571	471885348	/nfs/dbraw/zinc/88/53/48/471885348.db2.gz	GPQWAGPHDAGZFV-FPYGCLRLSA-N	-1	0	330.774	2.785	50	10		EFCARM
O=c1[nH]cccc1-c1c2c[nH]nc2nc2c3ccc(O)c([O-])c3oc21	ZINC000218160423	474145259	/nfs/dbraw/zinc/14/52/59/474145259.db2.gz	NAKIXBOOBZLBEI-UHFFFAOYSA-N	-1	0	334.291	2.624	50	10		EFCARM
C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(N)cc1)c3[O-]	ZINC000299738159	476149624	/nfs/dbraw/zinc/14/96/24/476149624.db2.gz	COGNNUHPNHYQQE-SNVBAGLBSA-N	-1	0	335.363	2.659	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)o1	ZINC000000441024	1303492853	/nfs/dbraw/zinc/49/28/53/1303492853.db2.gz	GULHNHJLZROLJJ-NTEUORMPSA-N	-1	0	326.377	2.728	50	10		EFCARM
O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004695634	210250632	/nfs/dbraw/zinc/25/06/32/210250632.db2.gz	KJDCIRVVTJNSCQ-UHFFFAOYSA-N	-1	0	336.687	2.904	50	10		EFCARM
CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC	ZINC000004592241	210229174	/nfs/dbraw/zinc/22/91/74/210229174.db2.gz	LIABJGSUPKVMOT-RVDMUPIBSA-N	-1	0	338.363	2.555	50	10		EFCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000100833934	219108515	/nfs/dbraw/zinc/10/85/15/219108515.db2.gz	UEYBHTXZNCGRAG-WJDWOHSUSA-N	-1	0	335.363	2.569	50	10		EFCARM
S=C(NN=c1[n-]nnn1-c1ccccc1)Nc1ccc(Cl)cc1	ZINC000012420678	211375179	/nfs/dbraw/zinc/37/51/79/211375179.db2.gz	NATDXORIWBBKEP-UHFFFAOYSA-N	-1	0	345.819	2.629	50	10		EFCARM
O=C([O-])CCN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S	ZINC000006660540	210672847	/nfs/dbraw/zinc/67/28/47/210672847.db2.gz	PRRICRRQVRROMD-XFXZXTDPSA-N	-1	0	344.417	2.911	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CC=CNc1ccccc1	ZINC000004817249	210285925	/nfs/dbraw/zinc/28/59/25/210285925.db2.gz	NNXGQDINDLKSCB-XPWRRFFTSA-N	-1	0	347.374	2.817	50	10		EFCARM
O=C([O-])c1cc(O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004822968	210287532	/nfs/dbraw/zinc/28/75/32/210287532.db2.gz	KDNHPXZBUFOJSC-UHFFFAOYSA-N	-1	0	336.687	2.904	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2F)SC1=S	ZINC000004357041	286746850	/nfs/dbraw/zinc/74/68/50/286746850.db2.gz	DUHKKYYBJIYIQX-QBQSQJOESA-N	-1	0	325.386	2.890	50	10		EFCARM
O=C([O-])c1cc(-c2ccc(C=C3SC(=O)NC3=O)o2)ccc1O	ZINC000015659798	544427258	/nfs/dbraw/zinc/42/72/58/544427258.db2.gz	SXAUTKUIIXFACR-SDQBBNPISA-N	-1	0	331.305	2.674	50	10		EFCARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000100525221	544560887	/nfs/dbraw/zinc/56/08/87/544560887.db2.gz	OKQBWLBBYQONMR-FZQCLQRZSA-N	-1	0	330.200	2.907	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000032109759	280296588	/nfs/dbraw/zinc/29/65/88/280296588.db2.gz	BZBMQDOQRLXSGF-UVTDQMKNSA-N	-1	0	343.180	2.911	50	10		EFCARM
CC(C)[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000006733644	280327263	/nfs/dbraw/zinc/32/72/63/280327263.db2.gz	NDXUDJQPVNVPJV-INIZCTEOSA-N	-1	0	345.395	2.576	50	10	biogenic	EFCARM
COc1ncnc2c1N=C1CC(C)(C)CC(NCCC(=O)[O-])=C1S2	ZINC000000548139	295470773	/nfs/dbraw/zinc/47/07/73/295470773.db2.gz	RYXOLCBUUBIGCU-UHFFFAOYSA-N	-1	0	348.428	2.759	50	10		EFCARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	ZINC000005477864	298215700	/nfs/dbraw/zinc/21/57/00/298215700.db2.gz	ZYSMNFVFINVBBI-VAENJDROSA-N	-1	0	346.433	2.853	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000013616189	301480171	/nfs/dbraw/zinc/48/01/71/301480171.db2.gz	YAQFLHYLHKCYKB-MDWZMJQESA-N	-1	0	330.727	2.908	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccsc1	ZINC000000450784	471360915	/nfs/dbraw/zinc/36/09/15/471360915.db2.gz	ZFEOMENYUCCBKQ-JXMROGBWSA-N	-1	0	332.381	2.719	50	10		EFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1C	ZINC000000454003	471362253	/nfs/dbraw/zinc/36/22/53/471362253.db2.gz	JPGNLUIORLIPSK-PTNGSMBKSA-N	-1	0	342.395	2.798	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccco1	ZINC000000464264	471363498	/nfs/dbraw/zinc/36/34/98/471363498.db2.gz	JRUJAUZRHFGBEF-XYOKQWHBSA-N	-1	0	330.727	2.595	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1Cl	ZINC000000521734	471367525	/nfs/dbraw/zinc/36/75/25/471367525.db2.gz	YENSSQXGEPJOGY-XYOKQWHBSA-N	-1	0	330.727	2.908	50	10		EFCARM
Cc1ccccc1N1C(=O)/C(=C/c2ccsc2)C(=O)[N-]C1=S	ZINC000000564261	471371498	/nfs/dbraw/zinc/37/14/98/471371498.db2.gz	NWWGYAHPCFZEOW-XYOKQWHBSA-N	-1	0	328.418	2.888	50	10		EFCARM
CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1	ZINC000000967074	471378581	/nfs/dbraw/zinc/37/85/81/471378581.db2.gz	KSYBSJPJUZHNIN-ZPBHHCQCSA-N	-1	0	337.422	2.760	50	10		EFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2sccc2C)C1=O	ZINC000001253289	471384031	/nfs/dbraw/zinc/38/40/31/471384031.db2.gz	NSHLKVYTYJYWPI-LUAWRHEFSA-N	-1	0	342.376	2.936	50	10		EFCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000001213679	471384233	/nfs/dbraw/zinc/38/42/33/471384233.db2.gz	KYMQJVKZKTWEJE-SEVUFMINSA-N	-1	0	337.422	2.703	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000001870926	471398688	/nfs/dbraw/zinc/39/86/88/471398688.db2.gz	DOMOTUMTOUMEGU-WTKPLQERSA-N	-1	0	331.777	2.765	50	10		EFCARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000002568454	471411030	/nfs/dbraw/zinc/41/10/30/471411030.db2.gz	WSPZDJRNGPJNSL-LCFDYFRESA-N	-1	0	337.422	2.847	50	10		EFCARM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000005569775	471511096	/nfs/dbraw/zinc/51/10/96/471511096.db2.gz	ASBKQMSDFMKPKF-QPEQYQDCSA-N	-1	0	342.738	2.530	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	ZINC000005960795	471526844	/nfs/dbraw/zinc/52/68/44/471526844.db2.gz	JKWRWKBRCJRSKM-UEUZTHOGSA-N	-1	0	325.386	2.890	50	10		EFCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CC=CNc1ccccc1	ZINC000006402900	471544055	/nfs/dbraw/zinc/54/40/55/471544055.db2.gz	QESRZYXCIWLKKN-QDIIEIGVSA-N	-1	0	339.395	2.950	50	10		EFCARM
COc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)[N-]C2=S)cc1	ZINC000009122090	471710848	/nfs/dbraw/zinc/71/08/48/471710848.db2.gz	CHHLHFPUVAGRDH-LCYFTJDESA-N	-1	0	344.417	2.999	50	10		EFCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000013126367	471817847	/nfs/dbraw/zinc/81/78/47/471817847.db2.gz	KBWJNEUWFZRCKE-FOWTUZBSSA-N	-1	0	340.379	2.745	50	10		EFCARM
Cn1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21	ZINC000013786381	471843757	/nfs/dbraw/zinc/84/37/57/471843757.db2.gz	WQAYBOVUNZWXLR-JYRVWZFOSA-N	-1	0	346.433	2.854	50	10		EFCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000013957069	471846729	/nfs/dbraw/zinc/84/67/29/471846729.db2.gz	UEYBHTXZNCGRAG-LFIBNONCSA-N	-1	0	335.363	2.569	50	10		EFCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1	ZINC000016667613	471947918	/nfs/dbraw/zinc/94/79/18/471947918.db2.gz	ZUNZPFZBMJMPSD-YBEGLDIGSA-N	-1	0	341.798	2.867	50	10		EFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)cc1	ZINC000017029124	471953113	/nfs/dbraw/zinc/95/31/13/471953113.db2.gz	AJUVLDCYLGGLFU-UVTDQMKNSA-N	-1	0	325.324	2.920	50	10		EFCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000018061702	471967565	/nfs/dbraw/zinc/96/75/65/471967565.db2.gz	ZQAFOFJMKBOXBH-GDNBJRDFSA-N	-1	0	339.326	2.713	50	10		EFCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c(C)c1	ZINC000000440935	1303493245	/nfs/dbraw/zinc/49/32/45/1303493245.db2.gz	YKLIETBMTATDGQ-XNTDXEJSSA-N	-1	0	337.379	2.617	50	10		EFCARM
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000002237553	201527216	/nfs/dbraw/zinc/52/72/16/201527216.db2.gz	WNSXQGARFJFRDC-FMIVXFBMSA-N	-1	0	337.422	2.761	50	10		EFCARM
CCC(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000004653024	201610134	/nfs/dbraw/zinc/61/01/34/201610134.db2.gz	RUXZLHZVYBEMPS-UHFFFAOYSA-N	-1	0	328.324	2.691	50	10		EFCARM
C[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000000405961	296134460	/nfs/dbraw/zinc/13/44/60/296134460.db2.gz	AWEFXECHEHYAIJ-LLVKDONJSA-N	-1	0	339.347	2.728	50	10	biogenic	EFCARM
COc1ccccc1N1C(=O)C(=Cc2cccn2C)C(=O)[N-]C1=S	ZINC000001303401	206272695	/nfs/dbraw/zinc/27/26/95/206272695.db2.gz	KBRYRNJUXGPIQF-ZRDIBKRKSA-N	-1	0	341.392	2.705	50	10		EFCARM
COc1ccc(N2C(=O)C(=Cc3ccc[nH]3)C(=O)[N-]C2=S)cc1	ZINC000001306292	286323474	/nfs/dbraw/zinc/32/34/74/286323474.db2.gz	DSBVDIGYTRLFHF-UKTHLTGXSA-N	-1	0	327.365	2.695	50	10		EFCARM
CC[C@@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000004749672	286808283	/nfs/dbraw/zinc/80/82/83/286808283.db2.gz	XEJBAUCIBQPVLC-HWPZZCPQSA-N	-1	0	345.395	2.576	50	10		EFCARM
Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000000308575	279367569	/nfs/dbraw/zinc/36/75/69/279367569.db2.gz	UMLPCBOAIJQWCT-UKTHLTGXSA-N	-1	0	329.356	2.836	50	10		EFCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001213584	279799550	/nfs/dbraw/zinc/79/95/50/279799550.db2.gz	LMKRFHKTYVURJG-RDQDRAATSA-N	-1	0	337.422	2.703	50	10		EFCARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)s1	ZINC000000440982	280753726	/nfs/dbraw/zinc/75/37/26/280753726.db2.gz	DAMQNVUHIAZYIE-ZSOIEALJSA-N	-1	0	344.367	2.858	50	10		EFCARM
C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000005346845	297654226	/nfs/dbraw/zinc/65/42/26/297654226.db2.gz	RODGZGJMGAPWNS-XSHGTHSTSA-N	-1	0	347.417	2.680	50	10		EFCARM
C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(N)cc1)c3[O-]	ZINC000299738158	300545485	/nfs/dbraw/zinc/54/54/85/300545485.db2.gz	COGNNUHPNHYQQE-JTQLQIEISA-N	-1	0	335.363	2.659	50	10		EFCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c1	ZINC000004209061	301225151	/nfs/dbraw/zinc/22/51/51/301225151.db2.gz	GQTFFEZMTJLLSK-MHWRWJLKSA-N	-1	0	336.347	2.675	50	10		EFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1	ZINC000000086637	471322347	/nfs/dbraw/zinc/32/23/47/471322347.db2.gz	YWBQLJPBFAEUSW-NTEUORMPSA-N	-1	0	326.308	2.791	50	10		EFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1	ZINC000000314031	471347411	/nfs/dbraw/zinc/34/74/11/471347411.db2.gz	KTXKUPYWXHVWAW-RVDMUPIBSA-N	-1	0	336.347	2.670	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/C=C/c1ccco1	ZINC000000503516	471366365	/nfs/dbraw/zinc/36/63/65/471366365.db2.gz	FQXKONSZZGCYKY-PPRDQHCASA-N	-1	0	326.283	2.641	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S	ZINC000000969031	471378781	/nfs/dbraw/zinc/37/87/81/471378781.db2.gz	LRJQHOUCPHCLRC-WEVVVXLNSA-N	-1	0	347.339	2.991	50	10		EFCARM
Cc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)o1	ZINC000001803631	471398102	/nfs/dbraw/zinc/39/81/02/471398102.db2.gz	YAQFUYCVNCGFPK-SDKXAQGSSA-N	-1	0	325.411	2.898	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	ZINC000002059776	471401517	/nfs/dbraw/zinc/40/15/17/471401517.db2.gz	HOLCHLAHTMVSIU-HQQGHWSLSA-N	-1	0	337.422	2.760	50	10		EFCARM
CC(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000002470675	471408040	/nfs/dbraw/zinc/40/80/40/471408040.db2.gz	MZQGNILNUZYNSG-AWEZNQCLSA-N	-1	0	327.296	2.667	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000004677276	471470736	/nfs/dbraw/zinc/47/07/36/471470736.db2.gz	QXNWYINLMDURPW-DHZHZOJOSA-N	-1	0	333.141	2.504	50	10		EFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)c1	ZINC000004814839	471474823	/nfs/dbraw/zinc/47/48/23/471474823.db2.gz	AZPNGBOFBNOXEF-DHDCSXOGSA-N	-1	0	340.310	2.501	50	10		EFCARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1C[C@@H](C)CC2	ZINC000004834673	471476994	/nfs/dbraw/zinc/47/69/94/471476994.db2.gz	MVPLWIMCQOVGGD-VIFPVBQESA-N	-1	0	339.413	2.853	50	10		EFCARM
O=C1[N-]C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1	ZINC000005763911	471520105	/nfs/dbraw/zinc/52/01/05/471520105.db2.gz	KQVPKVGGMGVLLT-UHFFFAOYSA-N	-1	0	334.129	2.520	50	10		EFCARM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000006569811	471551107	/nfs/dbraw/zinc/55/11/07/471551107.db2.gz	SAOQWLLQSLKEOS-SERMCNLOSA-N	-1	0	336.438	2.926	50	10		EFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000009329442	471713865	/nfs/dbraw/zinc/71/38/65/471713865.db2.gz	PEEYUMNPSKTPIE-NTCAYCPXSA-N	-1	0	342.399	2.547	50	10		EFCARM
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])[C@H](C)CC	ZINC000011866845	471760424	/nfs/dbraw/zinc/76/04/24/471760424.db2.gz	MTYHBWBJOZPTDY-HWPZZCPQSA-N	-1	0	333.384	2.650	50	10		EFCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1C	ZINC000013802026	471843660	/nfs/dbraw/zinc/84/36/60/471843660.db2.gz	LENYZDAWOIGJIV-UKTHLTGXSA-N	-1	0	341.342	2.652	50	10		EFCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(O)c1	ZINC000016156372	471927348	/nfs/dbraw/zinc/92/73/48/471927348.db2.gz	ILUMUYIEEDZAJT-ZSOIEALJSA-N	-1	0	342.738	2.712	50	10		EFCARM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(C)C2=O)c1[O-]	ZINC000016671473	471947738	/nfs/dbraw/zinc/94/77/38/471947738.db2.gz	RGCITLDCUZLGJV-YHYXMXQVSA-N	-1	0	340.382	2.530	50	10		EFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc[nH]2)C1=O	ZINC000017043023	471952589	/nfs/dbraw/zinc/95/25/89/471952589.db2.gz	LOTFTNNSSQDDTR-BENRWUELSA-N	-1	0	325.324	2.920	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)cc1	ZINC000017029260	471953318	/nfs/dbraw/zinc/95/33/18/471953318.db2.gz	SLRHAGOQJRIGGA-UVTDQMKNSA-N	-1	0	325.324	2.540	50	10		EFCARM
O=c1oc2c(cc(Cl)c([O-])c2CN2CCOCC2)c2c1CCCC2	ZINC000020132307	471987310	/nfs/dbraw/zinc/98/73/10/471987310.db2.gz	INRMSLZELQFEHY-UHFFFAOYSA-N	-1	0	349.814	2.863	50	10	aggregator	EFCARM
CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022780500	472019996	/nfs/dbraw/zinc/01/99/96/472019996.db2.gz	TYIQOVNMKOQECY-HYVNUMGLSA-N	-1	0	334.372	2.515	50	10		EFCARM
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3O)C2)o1	ZINC000080316120	473014079	/nfs/dbraw/zinc/01/40/79/473014079.db2.gz	MCCAOKMALDFUMD-CQSZACIVSA-N	-1	0	342.351	2.836	50	10		EFCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S	ZINC000004425613	210190677	/nfs/dbraw/zinc/19/06/77/210190677.db2.gz	MWZHPCUQVDLZEM-DHZHZOJOSA-N	-1	0	325.386	2.892	50	10		EFCARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2	ZINC000003634300	210068502	/nfs/dbraw/zinc/06/85/02/210068502.db2.gz	KPHSUFUEWZLFOG-UHFFFAOYSA-N	-1	0	339.413	2.997	50	10		EFCARM
CCCC[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000001891578	282973511	/nfs/dbraw/zinc/97/35/11/282973511.db2.gz	DLDKOKSGPLDRRT-HNNXBMFYSA-N	-1	0	345.395	2.720	50	10		EFCARM
O=[N+]([O-])c1ccc([O-])c(CN2CCN(Cc3ccccc3)CC2)c1	ZINC000019633379	212053089	/nfs/dbraw/zinc/05/30/89/212053089.db2.gz	FADFGHDMWWOMEX-UHFFFAOYSA-N	-1	0	327.384	2.618	50	10		EFCARM
CCS(CC)=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000012436919	211379660	/nfs/dbraw/zinc/37/96/60/211379660.db2.gz	BFPGNLVICMDSCJ-UHFFFAOYSA-N	-1	0	342.420	2.904	50	10		EFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)cc1	ZINC000009058620	211035643	/nfs/dbraw/zinc/03/56/43/211035643.db2.gz	DUVIODPZUHBFFR-GDNBJRDFSA-N	-1	0	339.351	2.536	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S	ZINC000027533776	286747020	/nfs/dbraw/zinc/74/70/20/286747020.db2.gz	XYEZQKRNHXYQLM-VUBLIPMDSA-N	-1	0	347.421	2.627	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	ZINC000001295195	287512804	/nfs/dbraw/zinc/51/28/04/287512804.db2.gz	IQJOXURVVVYNKG-PAKSIRSJSA-N	-1	0	325.386	2.890	50	10		EFCARM
CC(C)C[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000000101181	279002381	/nfs/dbraw/zinc/00/23/81/279002381.db2.gz	FKCINNAUPBOGSI-OAHLLOKOSA-N	-1	0	345.395	2.576	50	10	biogenic	EFCARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000100525219	281699373	/nfs/dbraw/zinc/69/93/73/281699373.db2.gz	OKQBWLBBYQONMR-HOBGCTPMSA-N	-1	0	330.200	2.907	50	10		EFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	ZINC000005024956	288539183	/nfs/dbraw/zinc/53/91/83/288539183.db2.gz	AKMXYLWZHUBONQ-WJDWOHSUSA-N	-1	0	336.347	2.621	50	10		EFCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C	ZINC000009168130	301035354	/nfs/dbraw/zinc/03/53/54/301035354.db2.gz	WAPXLKHHEZFOOQ-MHWRWJLKSA-N	-1	0	337.379	2.617	50	10		EFCARM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1	ZINC000000071227	471319719	/nfs/dbraw/zinc/31/97/19/471319719.db2.gz	KPLCKCHMPZEXRK-ZROIWOOFSA-N	-1	0	343.180	2.911	50	10		EFCARM
O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cccc2nonc21	ZINC000000157038	471329353	/nfs/dbraw/zinc/32/93/53/471329353.db2.gz	DPXYQJMFUJXDRV-UHFFFAOYSA-N	-1	0	341.295	2.625	50	10		EFCARM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000000188897	471332723	/nfs/dbraw/zinc/33/27/23/471332723.db2.gz	QGMHGXKUPAOJJV-LFIBNONCSA-N	-1	0	336.347	2.670	50	10		EFCARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O	ZINC000000207292	471334149	/nfs/dbraw/zinc/33/41/49/471334149.db2.gz	DHLFFNPMCZSVGI-UHFFFAOYSA-N	-1	0	327.745	2.545	50	10		EFCARM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccc(F)cc2)C1=O	ZINC000000435651	471360461	/nfs/dbraw/zinc/36/04/61/471360461.db2.gz	XDZDKFFIWPRPHF-ZROIWOOFSA-N	-1	0	346.745	2.949	50	10		EFCARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)s1	ZINC000000450842	471361109	/nfs/dbraw/zinc/36/11/09/471361109.db2.gz	WFPXHTSKELTGHL-JYRVWZFOSA-N	-1	0	330.340	2.862	50	10		EFCARM
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)[N-]C2=O)c1C	ZINC000000474489	471364399	/nfs/dbraw/zinc/36/43/99/471364399.db2.gz	ACFJEAOTGJWNKB-NTUHNPAUSA-N	-1	0	345.786	2.936	50	10		EFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2)C1=O	ZINC000000492958	471366716	/nfs/dbraw/zinc/36/67/16/471366716.db2.gz	QPXDYLZDZWFMHL-UNRYZTPYSA-N	-1	0	348.358	2.918	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccco1	ZINC000000545815	471369539	/nfs/dbraw/zinc/36/95/39/471369539.db2.gz	FAAXUMXXHHPLQQ-GSPDUGTFSA-N	-1	0	342.351	2.806	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000000573828	471372096	/nfs/dbraw/zinc/37/20/96/471372096.db2.gz	UASCJHRRNYFZNW-XNTDXEJSSA-N	-1	0	340.379	2.965	50	10		EFCARM
CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000000967072	471378539	/nfs/dbraw/zinc/37/85/39/471378539.db2.gz	KSYBSJPJUZHNIN-RILYUOAZSA-N	-1	0	337.422	2.760	50	10		EFCARM
CCOc1cccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c1	ZINC000001131665	471382688	/nfs/dbraw/zinc/38/26/88/471382688.db2.gz	ZUZFRRLHFNCQKQ-FMIVXFBMSA-N	-1	0	337.422	2.761	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	ZINC000002121677	471401583	/nfs/dbraw/zinc/40/15/83/471401583.db2.gz	QDMPMNLJZSLXLI-WEVVVXLNSA-N	-1	0	347.339	2.991	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3sccc3C)C2=O)cc1	ZINC000002847486	471424825	/nfs/dbraw/zinc/42/48/25/471424825.db2.gz	DZXCXTPGRHNITR-UKTHLTGXSA-N	-1	0	342.376	2.732	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)s3)C2=O)cc1	ZINC000002847488	471425575	/nfs/dbraw/zinc/42/55/75/471425575.db2.gz	JUBIVLJMMPRADV-NTEUORMPSA-N	-1	0	342.376	2.732	50	10		EFCARM
CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000002989477	471430932	/nfs/dbraw/zinc/43/09/32/471430932.db2.gz	JXBHHZNFEWTUDC-XYOKQWHBSA-N	-1	0	337.422	2.761	50	10		EFCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000003894092	471456809	/nfs/dbraw/zinc/45/68/09/471456809.db2.gz	RGGZADXHCAIXDX-LFIBNONCSA-N	-1	0	335.363	2.882	50	10		EFCARM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005371652	471502456	/nfs/dbraw/zinc/50/24/56/471502456.db2.gz	ITIMMRBHCBVKJH-LWMMSDEHSA-N	-1	0	338.454	2.870	50	10		EFCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1C	ZINC000005618127	471514138	/nfs/dbraw/zinc/51/41/38/471514138.db2.gz	AVPVMDAXUOLASA-YBEGLDIGSA-N	-1	0	337.335	2.673	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1	ZINC000005660511	471514990	/nfs/dbraw/zinc/51/49/90/471514990.db2.gz	WDLPXCPUCHUANI-UVTDQMKNSA-N	-1	0	341.367	2.569	50	10		EFCARM
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015011509	471885481	/nfs/dbraw/zinc/88/54/81/471885481.db2.gz	AAJJWYGWGFDTDO-UXBLZVDNSA-N	-1	0	340.382	2.530	50	10		EFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1O	ZINC000016195036	471928562	/nfs/dbraw/zinc/92/85/62/471928562.db2.gz	KFNUKOIHAILMFC-GHXNOFRVSA-N	-1	0	344.754	2.516	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000016488305	471938766	/nfs/dbraw/zinc/93/87/66/471938766.db2.gz	AJFBGARPDQIPDR-GXDHUFHOSA-N	-1	0	341.754	2.919	50	10		EFCARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)s1	ZINC000000086675	525959959	/nfs/dbraw/zinc/95/99/59/525959959.db2.gz	KBIIPVNYIYXFOH-FLIBITNWSA-N	-1	0	330.340	2.862	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc[nH]1	ZINC000001301999	1306638238	/nfs/dbraw/zinc/63/82/38/1306638238.db2.gz	TZIACVAYKVLEBG-WQLSENKSSA-N	-1	0	331.784	2.911	50	10		EFCARM
CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OC)cc2)C1=O	ZINC000002496561	714555474	/nfs/dbraw/zinc/55/54/74/714555474.db2.gz	JQDZTBGRDGQOEA-NTCAYCPXSA-N	-1	0	330.384	2.737	50	10		EFCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1	ZINC000100146560	219092165	/nfs/dbraw/zinc/09/21/65/219092165.db2.gz	BRORETTZSUVQML-RAXLEYEMSA-N	-1	0	339.326	2.713	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000100401572	219098497	/nfs/dbraw/zinc/09/84/97/219098497.db2.gz	PQNINNHVZCQCNQ-ZROIWOOFSA-N	-1	0	343.289	2.544	50	10		EFCARM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C)c1	ZINC000101469850	219128494	/nfs/dbraw/zinc/12/84/94/219128494.db2.gz	HZDIIPHAEGVWBG-FVGNFYTDSA-N	-1	0	335.367	2.944	50	10		EFCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1c[nH]c2ccccc12	ZINC000004270111	210157202	/nfs/dbraw/zinc/15/72/02/210157202.db2.gz	GKJXQRXAJNPUKI-MHWRWJLKSA-N	-1	0	345.358	2.830	50	10		EFCARM
COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000000966899	209695831	/nfs/dbraw/zinc/69/58/31/209695831.db2.gz	BTCMQQGKQFZTRR-FMIVXFBMSA-N	-1	0	337.422	2.761	50	10		EFCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000000966975	304048584	/nfs/dbraw/zinc/04/85/84/304048584.db2.gz	IZMJTWCXUUYGLB-FLIBITNWSA-N	-1	0	325.386	2.892	50	10		EFCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC2=CCCCC2)cc1	ZINC000034926470	213000659	/nfs/dbraw/zinc/00/06/59/213000659.db2.gz	FQFPUHLFDDIRQB-UHFFFAOYSA-N	-1	0	346.427	2.593	50	10		EFCARM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000027530385	212561629	/nfs/dbraw/zinc/56/16/29/212561629.db2.gz	SAOQWLLQSLKEOS-OYGDSYQHSA-N	-1	0	336.438	2.926	50	10		EFCARM
C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)ccc2O1	ZINC000016810406	211936427	/nfs/dbraw/zinc/93/64/27/211936427.db2.gz	QRFKSPGPDDXUED-LMRAXHDRSA-N	-1	0	349.433	2.686	50	10		EFCARM
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1	ZINC000012504555	211395595	/nfs/dbraw/zinc/39/55/95/211395595.db2.gz	NDOYAOFADRKHAN-XFXZXTDPSA-N	-1	0	337.422	2.761	50	10		EFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1nc2ccccc2[nH]1	ZINC000006813920	296355638	/nfs/dbraw/zinc/35/56/38/296355638.db2.gz	FSKGEMQDZQKGKR-BENRWUELSA-N	-1	0	348.387	2.806	50	10		EFCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc[nH]1	ZINC000005092108	210388757	/nfs/dbraw/zinc/38/87/57/210388757.db2.gz	FRHZGIUVBSUZBJ-WQLSENKSSA-N	-1	0	349.268	2.700	50	10		EFCARM
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000004750417	210271146	/nfs/dbraw/zinc/27/11/46/210271146.db2.gz	SEHBFCYPSJODMO-UHFFFAOYSA-N	-1	0	333.394	2.695	50	10		EFCARM
O=c1[n-]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1ccccc1F	ZINC000004649631	285202689	/nfs/dbraw/zinc/20/26/89/285202689.db2.gz	CBEZKHXPQVTDGB-FMQUCBEESA-N	-1	0	327.319	2.749	50	10		EFCARM
Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000015012834	292040139	/nfs/dbraw/zinc/04/01/39/292040139.db2.gz	UASCJHRRNYFZNW-GDNBJRDFSA-N	-1	0	340.379	2.965	50	10		EFCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001213587	280186637	/nfs/dbraw/zinc/18/66/37/280186637.db2.gz	LMKRFHKTYVURJG-SEVUFMINSA-N	-1	0	337.422	2.703	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(O)c(O)c1	ZINC000008742885	304655392	/nfs/dbraw/zinc/65/53/92/304655392.db2.gz	MKNIVHULQGCZFQ-GHXNOFRVSA-N	-1	0	342.282	2.744	50	10		EFCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1C	ZINC000008914822	301035563	/nfs/dbraw/zinc/03/55/63/301035563.db2.gz	CRIISHUYFZPAIR-XNTDXEJSSA-N	-1	0	337.379	2.821	50	10		EFCARM
O=c1cc(-c2ccccc2)c2ccc([O-])c(CN3CCOCC3)c2o1	ZINC000026920240	304816719	/nfs/dbraw/zinc/81/67/19/304816719.db2.gz	FCGWNQFUHAGGRG-UHFFFAOYSA-N	-1	0	337.375	2.998	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000000179649	471331548	/nfs/dbraw/zinc/33/15/48/471331548.db2.gz	UGHYDYJIWDHSBQ-SFQUDFHCSA-N	-1	0	349.390	2.727	50	10		EFCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000000191764	471332883	/nfs/dbraw/zinc/33/28/83/471332883.db2.gz	SADPYVRKOCVCKO-SDNWHVSQSA-N	-1	0	336.347	2.670	50	10		EFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)ccc1O	ZINC000000344837	471349717	/nfs/dbraw/zinc/34/97/17/471349717.db2.gz	JYRNUSZDFUPATQ-NTUHNPAUSA-N	-1	0	344.754	2.516	50	10		EFCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000000344828	471349920	/nfs/dbraw/zinc/34/99/20/471349920.db2.gz	OJFSYFMRKCXGDD-AWNIVKPZSA-N	-1	0	342.738	2.530	50	10		EFCARM
O=S(=O)([N-]c1cccc2cccnc21)c1cccc2nonc21	ZINC000000414676	471355823	/nfs/dbraw/zinc/35/58/23/471355823.db2.gz	NBUOKBCSWUSEGP-UHFFFAOYSA-N	-1	0	326.337	2.572	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1	ZINC000000493818	471366150	/nfs/dbraw/zinc/36/61/50/471366150.db2.gz	NSQLJPXCUUCLES-BDKUJZOCSA-N	-1	0	348.358	2.918	50	10		EFCARM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccsc1	ZINC000001164084	471382716	/nfs/dbraw/zinc/38/27/16/471382716.db2.gz	SBUKHHDSSPQKCM-WUXMJOGZSA-N	-1	0	332.381	2.719	50	10		EFCARM
COc1ccccc1N1C(=O)C(=Cc2cccn2C)C(=O)[N-]C1=S	ZINC000001303402	471384734	/nfs/dbraw/zinc/38/47/34/471384734.db2.gz	KBRYRNJUXGPIQF-BENRWUELSA-N	-1	0	341.392	2.705	50	10		EFCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	ZINC000001506130	471392150	/nfs/dbraw/zinc/39/21/50/471392150.db2.gz	PCBRQAADESOVBU-WEVVVXLNSA-N	-1	0	347.339	2.991	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000001795837	471398279	/nfs/dbraw/zinc/39/82/79/471398279.db2.gz	JKWRWKBRCJRSKM-PAKSIRSJSA-N	-1	0	325.386	2.890	50	10		EFCARM
O=C([O-])CCCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S	ZINC000002329864	471405227	/nfs/dbraw/zinc/40/52/27/471405227.db2.gz	CPHGTNVMIRPEQT-FLIBITNWSA-N	-1	0	347.421	2.629	50	10		EFCARM
O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)C1=CNc1cccc(F)c1	ZINC000005119768	471487092	/nfs/dbraw/zinc/48/70/92/471487092.db2.gz	LBPIMQOFKBDPBH-RVDMUPIBSA-N	-1	0	345.374	2.923	50	10		EFCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccccc3O)C2=O)cc1Cl	ZINC000005173436	471488973	/nfs/dbraw/zinc/48/89/73/471488973.db2.gz	UOQYAYARXUCRLE-JYRVWZFOSA-N	-1	0	328.755	2.815	50	10		EFCARM
CCCCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000005845371	471522980	/nfs/dbraw/zinc/52/29/80/471522980.db2.gz	ORJZHSXXUNXIPN-VBKFSLOCSA-N	-1	0	343.427	2.940	50	10		EFCARM
O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1coc2ccc(O)cc2c1=O	ZINC000009332972	471713555	/nfs/dbraw/zinc/71/35/55/471713555.db2.gz	KDAWRGNYZOSWEM-NVNXTCNLSA-N	-1	0	348.314	2.800	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000012729720	471791741	/nfs/dbraw/zinc/79/17/41/471791741.db2.gz	ISTGQNRMZMFSHG-MDWZMJQESA-N	-1	0	330.340	2.558	50	10		EFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)o3)C2=O)cc1	ZINC000017044339	471952644	/nfs/dbraw/zinc/95/26/44/471952644.db2.gz	HWHNBSBAEKIDEN-GXDHUFHOSA-N	-1	0	339.351	2.525	50	10		EFCARM
CCn1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000034704597	471990340	/nfs/dbraw/zinc/99/03/40/471990340.db2.gz	OHKQLZZGIMTJBG-QPEQYQDCSA-N	-1	0	346.433	2.947	50	10		EFCARM
COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2nonc21	ZINC000032579210	472444236	/nfs/dbraw/zinc/44/42/36/472444236.db2.gz	STXISRNNWZNLPC-UHFFFAOYSA-N	-1	0	339.760	2.686	50	10		EFCARM
S=C(NNc1nnc2c3ccccc3nc-2[n-]1)Nc1ccccc1	ZINC000032594529	501085768	/nfs/dbraw/zinc/08/57/68/501085768.db2.gz	DDYDMIGMODLXKZ-UHFFFAOYSA-N	-1	0	335.396	2.820	50	10		EFCARM
CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C1=O	ZINC000002847432	715488111	/nfs/dbraw/zinc/48/81/11/715488111.db2.gz	SALAJGLBMALYRT-DTQAZKPQSA-N	-1	0	341.411	2.549	50	10		EFCARM
CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000004739721	210266429	/nfs/dbraw/zinc/26/64/29/210266429.db2.gz	QNGXNFRFLNWLNG-KPKJPENVSA-N	-1	0	346.726	2.821	50	10		EFCARM
CCN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000004690362	210249250	/nfs/dbraw/zinc/24/92/50/210249250.db2.gz	OTQVNHJQQLQSAQ-LCYFTJDESA-N	-1	0	326.308	2.557	50	10		EFCARM
Cc1c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc2n1C	ZINC000003633426	210068761	/nfs/dbraw/zinc/06/87/61/210068761.db2.gz	XUQRWHIGPYDBHP-NTUHNPAUSA-N	-1	0	346.433	2.773	50	10		EFCARM
CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C(=O)[O-]	ZINC000035686311	213047509	/nfs/dbraw/zinc/04/75/09/213047509.db2.gz	JYHKKWAJHJKKMO-RFAUZJTJSA-N	-1	0	333.384	2.704	50	10		EFCARM
O=C([O-])[C@H]1Nc2c(I)cccc2[C@H]2C=CC[C@@H]21	ZINC000004409915	304209166	/nfs/dbraw/zinc/20/91/66/304209166.db2.gz	CNQHYGCDWZHJEN-FDOIEUKUSA-N	-1	0	341.148	2.830	50	10		EFCARM
O=C([O-])[C@H]1Nc2c(I)cccc2[C@H]2C=CC[C@H]21	ZINC000004409918	304209106	/nfs/dbraw/zinc/20/91/06/304209106.db2.gz	CNQHYGCDWZHJEN-GMEUVTARSA-N	-1	0	341.148	2.830	50	10		EFCARM
C=C(c1ccc(OC)cc1)C1SC(=S)N(CCC(=O)[O-])C1=O	ZINC000012342754	211352640	/nfs/dbraw/zinc/35/26/40/211352640.db2.gz	CJSSQWGGVIFRNX-UKTHLTGXSA-N	-1	0	337.422	2.761	50	10		EFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2C)C1=O	ZINC000008971294	211024186	/nfs/dbraw/zinc/02/41/86/211024186.db2.gz	IZDAEEJSGCCKRR-BENRWUELSA-N	-1	0	325.324	2.540	50	10		EFCARM
COC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])CCC2	ZINC000005022298	210365934	/nfs/dbraw/zinc/36/59/34/210365934.db2.gz	OQGVFRQCGIFXFF-UWVGGRQHSA-N	-1	0	349.408	2.629	50	10		EFCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000003894097	135661150	/nfs/dbraw/zinc/66/11/50/135661150.db2.gz	PYUSZIKCGINRMK-RVDMUPIBSA-N	-1	0	335.363	2.882	50	10		EFCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S	ZINC000027533779	287512874	/nfs/dbraw/zinc/51/28/74/287512874.db2.gz	XYEZQKRNHXYQLM-UEUZTHOGSA-N	-1	0	347.421	2.627	50	10		EFCARM
CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-]	ZINC000004749673	287752240	/nfs/dbraw/zinc/75/22/40/287752240.db2.gz	XEJBAUCIBQPVLC-QFYYESIMSA-N	-1	0	345.395	2.576	50	10		EFCARM
CC(C)[C@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-]	ZINC000000044740	280327340	/nfs/dbraw/zinc/32/73/40/280327340.db2.gz	NMRFVFDGPIFWRI-INIZCTEOSA-N	-1	0	341.363	2.851	50	10	biogenic	EFCARM
Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000001297851	294375274	/nfs/dbraw/zinc/37/52/74/294375274.db2.gz	CRIVBUAUNIRSSO-LCYFTJDESA-N	-1	0	345.811	2.921	50	10		EFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1	ZINC000004815250	295155798	/nfs/dbraw/zinc/15/57/98/295155798.db2.gz	FTDNOXRJLNAGAJ-GDNBJRDFSA-N	-1	0	340.310	2.501	50	10		EFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000014011217	304656810	/nfs/dbraw/zinc/65/68/10/304656810.db2.gz	OPKIDFUVRSDRPF-NTEUORMPSA-N	-1	0	342.738	2.712	50	10		EFCARM
N=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC=NN21	ZINC000004679973	303232510	/nfs/dbraw/zinc/23/25/10/303232510.db2.gz	OELCDKYLAZWTPD-HNTMTZMXSA-N	-1	0	341.179	2.948	50	10		EFCARM
COC(=O)CSc1sc(C(=O)OC)c([O-])c1C(F)(F)F	ZINC000000099026	471323285	/nfs/dbraw/zinc/32/32/85/471323285.db2.gz	HACRDSTWVCAUQY-UHFFFAOYSA-N	-1	0	330.305	2.524	50	10		EFCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)C(=O)[N-]C2=S)cc1	ZINC000000445900	471361725	/nfs/dbraw/zinc/36/17/25/471361725.db2.gz	YPCRJIIPMIHTMC-XNTDXEJSSA-N	-1	0	340.379	2.965	50	10		EFCARM
C=C(c1ccc(OC)cc1)C1SC(=S)N(CCC(=O)[O-])C1=O	ZINC000001155750	471382789	/nfs/dbraw/zinc/38/27/89/471382789.db2.gz	CJSSQWGGVIFRNX-LCYFTJDESA-N	-1	0	337.422	2.761	50	10		EFCARM
COc1cccc(N2C(=O)C(=Cc3cccn3C)C(=O)[N-]C2=S)c1	ZINC000001293579	471384576	/nfs/dbraw/zinc/38/45/76/471384576.db2.gz	XVTMRJHCBVHOCE-UVTDQMKNSA-N	-1	0	341.392	2.705	50	10		EFCARM
COc1cccc(N2C(=O)C(=Cc3cccn3C)C(=O)[N-]C2=S)c1	ZINC000001293578	471384670	/nfs/dbraw/zinc/38/46/70/471384670.db2.gz	XVTMRJHCBVHOCE-GXDHUFHOSA-N	-1	0	341.392	2.705	50	10		EFCARM
O=C([O-])CCCCCN1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000001766388	471398539	/nfs/dbraw/zinc/39/85/39/471398539.db2.gz	SJPNONWUANTENW-BENRWUELSA-N	-1	0	336.438	2.928	50	10		EFCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	ZINC000002059774	471401833	/nfs/dbraw/zinc/40/18/33/471401833.db2.gz	HOLCHLAHTMVSIU-LCFDYFRESA-N	-1	0	337.422	2.760	50	10		EFCARM
C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)ccc2O1	ZINC000002346655	471406989	/nfs/dbraw/zinc/40/69/89/471406989.db2.gz	QRFKSPGPDDXUED-TVNQGELYSA-N	-1	0	349.433	2.686	50	10		EFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)cc1	ZINC000004704224	471471842	/nfs/dbraw/zinc/47/18/42/471471842.db2.gz	KJJAPAGOCKTXCV-ZROIWOOFSA-N	-1	0	326.377	2.977	50	10		EFCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O	ZINC000004724613	471472168	/nfs/dbraw/zinc/47/21/68/471472168.db2.gz	QGKIUBRRJJTFJK-PTNGSMBKSA-N	-1	0	336.347	2.621	50	10		EFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C)C2=O)c1	ZINC000006886682	471576264	/nfs/dbraw/zinc/57/62/64/471576264.db2.gz	GHVQTLFJGZGHMU-PTNGSMBKSA-N	-1	0	335.363	2.882	50	10		EFCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)s1	ZINC000012462524	471776097	/nfs/dbraw/zinc/77/60/97/471776097.db2.gz	KBIIPVNYIYXFOH-DHZHZOJOSA-N	-1	0	330.340	2.862	50	10		EFCARM
Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000013424487	471828593	/nfs/dbraw/zinc/82/85/93/471828593.db2.gz	RKRTVVMTDZGOLZ-DHDCSXOGSA-N	-1	0	349.346	2.731	50	10		EFCARM
CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000014165788	471857348	/nfs/dbraw/zinc/85/73/48/471857348.db2.gz	JXBHHZNFEWTUDC-WQLSENKSSA-N	-1	0	337.422	2.761	50	10		EFCARM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000015659258	471913058	/nfs/dbraw/zinc/91/30/58/471913058.db2.gz	QGMHGXKUPAOJJV-WJDWOHSUSA-N	-1	0	336.347	2.670	50	10		EFCARM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000015659690	471913358	/nfs/dbraw/zinc/91/33/58/471913358.db2.gz	ZPYBHSKINCMXGZ-JYRVWZFOSA-N	-1	0	346.745	2.949	50	10		EFCARM
O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1O	ZINC000015659725	471913613	/nfs/dbraw/zinc/91/36/13/471913613.db2.gz	KLMLCRBAIFFURK-XFFZJAGNSA-N	-1	0	332.718	2.646	50	10		EFCARM
CCc1c(C)sc([N-]S(=O)(=O)c2ccc(C)cc2)c1C(N)=O	ZINC000017071029	471955477	/nfs/dbraw/zinc/95/54/77/471955477.db2.gz	KTWWJFDJCPYCPC-UHFFFAOYSA-N	-1	0	338.454	2.827	50	10		EFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)ccc1O	ZINC000032109820	472415652	/nfs/dbraw/zinc/41/56/52/472415652.db2.gz	JYRNUSZDFUPATQ-QPEQYQDCSA-N	-1	0	344.754	2.516	50	10		EFCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000000063169	524321384	/nfs/dbraw/zinc/32/13/84/524321384.db2.gz	ZMTNTLOFUPYDEK-RVDMUPIBSA-N	-1	0	336.347	2.670	50	10		EFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3)C2=O)cc1	ZINC000000175442	1301709893	/nfs/dbraw/zinc/70/98/93/1301709893.db2.gz	MNEQBEAHIJMPEB-FOWTUZBSSA-N	-1	0	336.347	2.752	50	10		EFCARM
CCCCN(CCCC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002895634	715688519	/nfs/dbraw/zinc/68/85/19/715688519.db2.gz	GWRFRJIUKAWRDC-UHFFFAOYSA-N	-1	0	343.427	2.843	50	10		EFCARM