smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c1	ZINC000004272052	194386814	/nfs/dbraw/zinc/38/68/14/194386814.db2.gz	LBONYTADRIRUQN-UHFFFAOYSA-N	-1	0	484.511	2.952	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12	ZINC000033162110	525454981	/nfs/dbraw/zinc/45/49/81/525454981.db2.gz	XVYLZGKLDKZWGI-FJPKCYBQSA-N	-1	0	472.592	2.771	50	10		JFCARM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21)NC[C@H]1CCCO1	ZINC000008660967	527363680	/nfs/dbraw/zinc/36/36/80/527363680.db2.gz	BCFZPNUVGUYCGD-MIQLPHMESA-N	-1	0	490.491	2.742	50	10		JFCARM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1OC	ZINC000000824607	553787506	/nfs/dbraw/zinc/78/75/06/553787506.db2.gz	OYCSETSBHCJPRB-NTEUORMPSA-N	-1	0	450.232	2.770	50	10		JFCARM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000002369730	554169632	/nfs/dbraw/zinc/16/96/32/554169632.db2.gz	PQNDGUIJNFNJGV-XOVFHRFOSA-N	-1	0	466.881	2.662	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)c1	ZINC000006470135	554543174	/nfs/dbraw/zinc/54/31/74/554543174.db2.gz	GUFMWWZNUQVABZ-JXAWBTAJSA-N	-1	0	456.524	2.604	50	10		JFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	ZINC000006508296	554548095	/nfs/dbraw/zinc/54/80/95/554548095.db2.gz	GSFJWNJJSGRRJB-WJDWOHSUSA-N	-1	0	490.310	2.944	50	10		JFCARM
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000008440466	554591180	/nfs/dbraw/zinc/59/11/80/554591180.db2.gz	ALOVPITWHAQIQK-CYVLTUHYSA-N	-1	0	498.561	2.757	50	10		JFCARM
O=C(Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21)N1CCOCC1	ZINC000009283057	555053676	/nfs/dbraw/zinc/05/36/76/555053676.db2.gz	RGKAXMNTNCKEMF-NDENLUEZSA-N	-1	0	492.919	2.820	50	10		JFCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1	ZINC000009309946	555085568	/nfs/dbraw/zinc/08/55/68/555085568.db2.gz	SCECIFLCBXEPIW-XFXZXTDPSA-N	-1	0	480.315	2.849	50	10		JFCARM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Br	ZINC000009311208	555087518	/nfs/dbraw/zinc/08/75/18/555087518.db2.gz	UIJNNJXANZRWKV-OQLLNIDSSA-N	-1	0	473.279	2.976	50	10		JFCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)c1	ZINC000009334969	555102137	/nfs/dbraw/zinc/10/21/37/555102137.db2.gz	MJVKRACFHBLEIZ-SDQBBNPISA-N	-1	0	477.267	2.847	50	10		JFCARM
O=C(COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009335477	555102863	/nfs/dbraw/zinc/10/28/63/555102863.db2.gz	KYNNJJHRRJBPNH-UHFFFAOYSA-N	-1	0	477.476	2.958	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(NCCCOC(C)C)nc12	ZINC000009461703	555229762	/nfs/dbraw/zinc/22/97/62/555229762.db2.gz	UKDODLWALGHCCV-VBKFSLOCSA-N	-1	0	490.607	2.906	50	10		JFCARM
COc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)[N-]C1=S	ZINC000009763377	555488861	/nfs/dbraw/zinc/48/88/61/555488861.db2.gz	FXHHXKNOPNUZPN-CSKARUKUSA-N	-1	0	454.245	2.724	50	10		JFCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)ccc1O	ZINC000010232979	555658260	/nfs/dbraw/zinc/65/82/60/555658260.db2.gz	AAWGLTXVABYXGN-FRKPEAEDSA-N	-1	0	460.489	2.645	50	10		JFCARM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1OC	ZINC000015799876	556008120	/nfs/dbraw/zinc/00/81/20/556008120.db2.gz	HJYHBFGYSZVDOY-OVCLIPMQSA-N	-1	0	489.278	2.676	50	10		JFCARM
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000098086455	569750404	/nfs/dbraw/zinc/75/04/04/569750404.db2.gz	NCTUWDVDTGHTRU-YHYXMXQVSA-N	-1	0	465.290	2.594	50	10		JFCARM
Cc1cccc(-n2c([O-])c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@@H]4CC=C3)c(=O)[nH]c2=O)c1	ZINC000101112395	569783187	/nfs/dbraw/zinc/78/31/87/569783187.db2.gz	DCXLJAINQRQEKK-XEXUKXSGSA-N	-1	0	453.454	2.817	50	10		JFCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000102554299	569814238	/nfs/dbraw/zinc/81/42/38/569814238.db2.gz	BQXYVAPKHRICFU-VBKFSLOCSA-N	-1	0	453.451	2.567	50	10		JFCARM
O=C(C[C@@H](c1ccsc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218325844	569883192	/nfs/dbraw/zinc/88/31/92/569883192.db2.gz	CROCKSWSSGZSOW-INIZCTEOSA-N	-1	0	451.504	2.754	50	10		JFCARM
CCCCCCc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c(O)cc1O	ZINC000248196486	570076098	/nfs/dbraw/zinc/07/60/98/570076098.db2.gz	QESMCFWVHNUTFE-MLNNCEHLSA-N	-1	0	496.516	2.822	50	10		JFCARM
CCCCCCc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c(O)cc1O	ZINC000248196482	570076164	/nfs/dbraw/zinc/07/61/64/570076164.db2.gz	QESMCFWVHNUTFE-LRSLUSHPSA-N	-1	0	496.516	2.822	50	10		JFCARM
COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c(C(=O)[O-])cc1OC	ZINC000000692735	193898937	/nfs/dbraw/zinc/89/89/37/193898937.db2.gz	UTFCRCQAWMEODC-UHFFFAOYSA-N	-1	0	461.430	2.846	50	10		JFCARM
CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)ccc1O	ZINC000000730681	193908349	/nfs/dbraw/zinc/90/83/49/193908349.db2.gz	PVPZWSGTGXZZCR-NTEUORMPSA-N	-1	0	450.232	2.857	50	10		JFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000001112079	194028009	/nfs/dbraw/zinc/02/80/09/194028009.db2.gz	ULPOZSVRKMNEKA-UHFFFAOYSA-N	-1	0	488.294	2.615	50	10		JFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	ZINC000002982452	194194525	/nfs/dbraw/zinc/19/45/25/194194525.db2.gz	GSFJWNJJSGRRJB-LFIBNONCSA-N	-1	0	490.310	2.944	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(N3C[C@H](C)C[C@H](C)C3)nc12	ZINC000003667884	194357512	/nfs/dbraw/zinc/35/75/12/194357512.db2.gz	XVYLZGKLDKZWGI-GQTRWRLGSA-N	-1	0	472.592	2.771	50	10		JFCARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1O	ZINC000016667843	520621921	/nfs/dbraw/zinc/62/19/21/520621921.db2.gz	GLUFOPBPKNOPQE-JYRVWZFOSA-N	-1	0	450.232	2.857	50	10		JFCARM
COC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000001202222	523221155	/nfs/dbraw/zinc/22/11/55/523221155.db2.gz	VFSCCWMHTNHJLR-MHWRWJLKSA-N	-1	0	456.476	2.927	50	10		JFCARM
O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S	ZINC000002416710	527590220	/nfs/dbraw/zinc/59/02/20/527590220.db2.gz	HUYVPMGUQRKVAS-AQTBWJFISA-N	-1	0	492.582	2.933	50	10		JFCARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cccc(I)c3)C2=O)cc1	ZINC000006492071	554546349	/nfs/dbraw/zinc/54/63/49/554546349.db2.gz	DWJFQPXWSJSDHV-WJDWOHSUSA-N	-1	0	462.243	2.929	50	10		JFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccccc1F	ZINC000008417802	554579145	/nfs/dbraw/zinc/57/91/45/554579145.db2.gz	DUHZOBQPVSRPNO-UHFFFAOYSA-N	-1	0	496.232	2.767	50	10		JFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1	ZINC000008440464	554591173	/nfs/dbraw/zinc/59/11/73/554591173.db2.gz	ZDFKFTUXESALEJ-HKWRFOASSA-N	-1	0	468.535	2.748	50	10		JFCARM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1	ZINC000009057650	554876729	/nfs/dbraw/zinc/87/67/29/554876729.db2.gz	VPRVLYYDHRHPLE-YBEGLDIGSA-N	-1	0	454.435	2.556	50	10		JFCARM
COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1C=C1C(=O)[N-]C(=O)N(C)C1=O)OCO2	ZINC000009058641	554877369	/nfs/dbraw/zinc/87/73/69/554877369.db2.gz	FVTFBLAMRNBDGF-ATVHPVEESA-N	-1	0	465.462	2.671	50	10	biogenic	JFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	ZINC000009311446	555087762	/nfs/dbraw/zinc/08/77/62/555087762.db2.gz	BKADBUAZSAZZEE-GDNBJRDFSA-N	-1	0	476.283	2.554	50	10		JFCARM
COCCCNC(=O)c1c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2	ZINC000009444236	555217174	/nfs/dbraw/zinc/21/71/74/555217174.db2.gz	MHECALOLTYJCIM-UHFFFAOYSA-N	-1	0	466.581	2.965	50	10		JFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(I)c1O	ZINC000013898235	555644916	/nfs/dbraw/zinc/64/49/16/555644916.db2.gz	HXAJHFMLVBILNT-SDQBBNPISA-N	-1	0	454.195	2.606	50	10		JFCARM
CCc1nn2c(nc(COc3ccc(/C=C4\C(=O)[N-]N(c5ccccc5)C4=O)cc3)cc2=O)s1	ZINC000020331834	555776882	/nfs/dbraw/zinc/77/68/82/555776882.db2.gz	HKFGQJJRLASSNT-XDHOZWIPSA-N	-1	0	473.514	2.754	50	10		JFCARM
O=C(c1ccco1)N1CCN(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1	ZINC000103682003	569836989	/nfs/dbraw/zinc/83/69/89/569836989.db2.gz	FLQNQVYNAWICNW-ACCUITESSA-N	-1	0	479.345	2.676	50	10		JFCARM
O=C(C[C@@H](c1ccc2nccnc2c1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218142781	569882948	/nfs/dbraw/zinc/88/29/48/569882948.db2.gz	OTTDJKIVHNSACF-SFHVURJKSA-N	-1	0	497.511	2.635	50	10		JFCARM
O=C(c1ccco1)c1coc2ccc(O)c(CN3CCCN(S(=O)(=O)N4CCCC4)CC3)c12	ZINC000252488874	570081855	/nfs/dbraw/zinc/08/18/55/570081855.db2.gz	JAZFQFRYIJXAAM-UHFFFAOYSA-N	-1	0	473.551	2.811	50	10		JFCARM
O=C(c1ccco1)N1CCN(/C=C2\C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1	ZINC000096234374	130001349	/nfs/dbraw/zinc/00/13/49/130001349.db2.gz	IEGKNCOQSQPUDA-RVDMUPIBSA-N	-1	0	479.345	2.676	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1O	ZINC000001192554	521964319	/nfs/dbraw/zinc/96/43/19/521964319.db2.gz	XYYDLBDZJDBWKE-KPKJPENVSA-N	-1	0	478.242	2.980	50	10		JFCARM
COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCN(CCO)CC3)c2=O)cc1OC	ZINC000020439030	523079613	/nfs/dbraw/zinc/07/96/13/523079613.db2.gz	GZOBRNIEFUNYEM-UHFFFAOYSA-N	-1	0	454.523	2.601	50	10	biogenic	JFCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1	ZINC000009259856	524412033	/nfs/dbraw/zinc/41/20/33/524412033.db2.gz	UCBSLJSCYRBCMV-HYARGMPZSA-N	-1	0	486.528	2.783	50	10		JFCARM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21)N1CCOCC1	ZINC000009259825	527364549	/nfs/dbraw/zinc/36/45/49/527364549.db2.gz	RGKAXMNTNCKEMF-UDWIEESQSA-N	-1	0	492.919	2.820	50	10		JFCARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000041091533	527648097	/nfs/dbraw/zinc/64/80/97/527648097.db2.gz	UIHVEIHIPREPKA-JOCHJYFZSA-N	-1	0	474.494	2.918	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000000805258	553784532	/nfs/dbraw/zinc/78/45/32/553784532.db2.gz	XADQPIHJIVYODB-AQTBWJFISA-N	-1	0	476.942	2.949	50	10		JFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCCc1c[nH]c2ccc(O)cc12	ZINC000002448514	554215710	/nfs/dbraw/zinc/21/57/10/554215710.db2.gz	TWRHFPBHUIFAHC-GZTJUZNOSA-N	-1	0	469.295	2.935	50	10		JFCARM
O=C([O-])CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(F)cc2)SC1=S	ZINC000002449128	554216038	/nfs/dbraw/zinc/21/60/38/554216038.db2.gz	MAPAYVUDVPENOE-ZROIWOOFSA-N	-1	0	457.464	2.912	50	10		JFCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)c1	ZINC000006573623	554551759	/nfs/dbraw/zinc/55/17/59/554551759.db2.gz	REYGLOGLJLMHRC-WJDWOHSUSA-N	-1	0	490.310	2.944	50	10		JFCARM
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000009260220	555034392	/nfs/dbraw/zinc/03/43/92/555034392.db2.gz	ZPJHQXCCHNUWMW-UHFFFAOYSA-N	-1	0	454.504	2.961	50	10		JFCARM
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000009310480	555086296	/nfs/dbraw/zinc/08/62/96/555086296.db2.gz	IFUUOYUPNQHTTH-LICLKQGHSA-N	-1	0	458.517	2.999	50	10		JFCARM
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1	ZINC000009311427	555087823	/nfs/dbraw/zinc/08/78/23/555087823.db2.gz	QTWYKXQJIRORSB-UHFFFAOYSA-N	-1	0	461.293	2.641	50	10		JFCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1	ZINC000009355078	555119735	/nfs/dbraw/zinc/11/97/35/555119735.db2.gz	PPYQWPZISXUSET-YBEGLDIGSA-N	-1	0	490.257	2.828	50	10		JFCARM
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000009462343	555231227	/nfs/dbraw/zinc/23/12/27/555231227.db2.gz	NNUDADPWBPIDIL-SSZFMOIBSA-N	-1	0	490.607	2.988	50	10		JFCARM
COC(CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=O)N(CCCC(C)C)C1=O)OC	ZINC000013591482	555525838	/nfs/dbraw/zinc/52/58/38/555525838.db2.gz	ZSGXUPLRFBNJPR-ATVHPVEESA-N	-1	0	462.503	2.548	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	ZINC000020331841	555776982	/nfs/dbraw/zinc/77/69/82/555776982.db2.gz	XRNGZHAKJNEEKR-VCHYOVAHSA-N	-1	0	489.513	2.508	50	10		JFCARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000015658741	555922499	/nfs/dbraw/zinc/92/24/99/555922499.db2.gz	LFXJVZPBOLIAEI-YBEGLDIGSA-N	-1	0	475.295	2.861	50	10		JFCARM
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(=O)n2c1	ZINC000016736675	556156120	/nfs/dbraw/zinc/15/61/20/556156120.db2.gz	QQKZQVAXUFZTPK-SRMBPAHBSA-N	-1	0	472.592	2.771	50	10		JFCARM
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(=O)[O-])C3=O)c3ccccc32)cc1	ZINC000025581039	556225275	/nfs/dbraw/zinc/22/52/75/556225275.db2.gz	DLWYLANMFFSWAW-VXPUYCOJSA-N	-1	0	497.554	2.727	50	10		JFCARM
COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)ccc1O	ZINC000054360671	569590159	/nfs/dbraw/zinc/59/01/59/569590159.db2.gz	AAWGLTXVABYXGN-APSNUPSMSA-N	-1	0	460.489	2.645	50	10		JFCARM
O=C1C[C@H](c2cnn3cccnc23)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096221623	569739123	/nfs/dbraw/zinc/73/91/23/569739123.db2.gz	IBZIDKRDICLJMD-LLVKDONJSA-N	-1	0	473.397	2.766	50	10	biogenic	JFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100798752	569770437	/nfs/dbraw/zinc/77/04/37/569770437.db2.gz	TXJYRYMOLHFMTL-SFQUDFHCSA-N	-1	0	451.870	2.717	50	10		JFCARM
CCc1nnc([N-]S(=O)(=O)c2ccc(N=CC3C(=O)OC4(CCCCC4)OC3=O)cc2)s1	ZINC000101268503	569788572	/nfs/dbraw/zinc/78/85/72/569788572.db2.gz	DNRYKEDRTPFHGP-UHFFFAOYSA-N	-1	0	478.552	2.958	50	10		JFCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101764344	569803961	/nfs/dbraw/zinc/80/39/61/569803961.db2.gz	WRSBAIIGKMLITD-LJQANCHMSA-N	-1	0	467.913	2.648	50	10		JFCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101764299	569804002	/nfs/dbraw/zinc/80/40/02/569804002.db2.gz	WNAIKGMXWMHYSL-OAQYLSRUSA-N	-1	0	461.522	2.612	50	10		JFCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@H]1c1ccc(N(C)C)cc1	ZINC000101764169	569804014	/nfs/dbraw/zinc/80/40/14/569804014.db2.gz	ZUASPFHBRIJJDR-IBGZPJMESA-N	-1	0	467.913	2.648	50	10		JFCARM
O=C(C[C@H](c1ccc(F)c(F)c1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218242045	569883179	/nfs/dbraw/zinc/88/31/79/569883179.db2.gz	KCSNTUVVRXMTHS-MRXNPFEDSA-N	-1	0	481.455	2.970	50	10		JFCARM
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263586470	570171693	/nfs/dbraw/zinc/17/16/93/570171693.db2.gz	UTLKJKTZUICBMS-QGZVFWFLSA-N	-1	0	499.516	2.972	50	10	biogenic	JFCARM
O=C1/C(=C2/C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000001823745	194146751	/nfs/dbraw/zinc/14/67/51/194146751.db2.gz	HMQMBRGCCRWBLB-MSUUIHNZSA-N	-1	0	478.548	2.832	50	10		JFCARM
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002977396	194191495	/nfs/dbraw/zinc/19/14/95/194191495.db2.gz	IKDSSLINEUTBGG-UHFFFAOYSA-N	-1	0	455.275	2.819	50	10		JFCARM
COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000002979316	194192632	/nfs/dbraw/zinc/19/26/32/194192632.db2.gz	BQPVUZGGZSKKTM-XNTDXEJSSA-N	-1	0	492.351	2.719	50	10		JFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)o3)C2=O)cc1	ZINC000001203931	521037360	/nfs/dbraw/zinc/03/73/60/521037360.db2.gz	WDMASQHMUMOTOT-UKTHLTGXSA-N	-1	0	452.204	2.949	50	10		JFCARM
CSCC[C@@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)C(=O)OC(C)(C)C	ZINC000020464089	525547360	/nfs/dbraw/zinc/54/73/60/525547360.db2.gz	DCHVZOHFSKBYSQ-ATGUSINASA-N	-1	0	498.399	2.969	50	10		JFCARM
Cc1c(NC=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000013810247	525822282	/nfs/dbraw/zinc/82/22/82/525822282.db2.gz	UFZBZMALRDCMAT-SFQUDFHCSA-N	-1	0	467.938	2.882	50	10		JFCARM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000002448087	554215347	/nfs/dbraw/zinc/21/53/47/554215347.db2.gz	NTRODLQKQZVLMK-XYSGSMRZSA-N	-1	0	466.881	2.662	50	10		JFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNN3C(=O)c4ccc5c6c(ccc(c64)C3=O)CC5)C2=O)c1	ZINC000008435345	554587362	/nfs/dbraw/zinc/58/73/62/554587362.db2.gz	RYALANKJPIDYKJ-UNOMPAQXSA-N	-1	0	466.453	2.514	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1O	ZINC000013801762	555621852	/nfs/dbraw/zinc/62/18/52/555621852.db2.gz	HYIDQYJOTAAFIU-WUXMJOGZSA-N	-1	0	482.205	2.811	50	10		JFCARM
CN(CCO)c1c(O)c2c(c([N-]S(C)(=O)=O)c1Oc1ccccc1)C(=O)c1ccccc1C2=O	ZINC000015080977	555872678	/nfs/dbraw/zinc/87/26/78/555872678.db2.gz	OBDFHCDIVKGOHB-UHFFFAOYSA-N	-1	0	482.514	2.760	50	10		JFCARM
CN1CCN(Cc2cc(C(=O)c3c[nH]c4ccccc34)cc(CN3CCN(C)CC3)c2[O-])CC1	ZINC000022574502	555938399	/nfs/dbraw/zinc/93/83/99/555938399.db2.gz	FOZHSJSZRYFBOM-UHFFFAOYSA-N	-1	0	461.610	2.599	50	10		JFCARM
Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(=O)[O-])C3=O)c3ccccc32)cc1	ZINC000016805224	556161355	/nfs/dbraw/zinc/16/13/55/556161355.db2.gz	ZTSXXWLPHHFHQZ-HNENSFHCSA-N	-1	0	467.528	2.636	50	10		JFCARM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000100423677	569759872	/nfs/dbraw/zinc/75/98/72/569759872.db2.gz	JTGHDKBVIKPMRX-STZFKDTASA-N	-1	0	465.462	2.912	50	10		JFCARM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000101109089	569783133	/nfs/dbraw/zinc/78/31/33/569783133.db2.gz	GWJAOQAKPSEVCV-UBXANZILSA-N	-1	0	460.490	2.625	50	10		JFCARM
CCN(CC)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2C(C)=O)cc1	ZINC000101456233	569798073	/nfs/dbraw/zinc/79/80/73/569798073.db2.gz	SDLNIJIOBHLZLB-JOCHJYFZSA-N	-1	0	475.549	2.834	50	10		JFCARM
COc1ccc(N2CCN(C(=O)Cn3c(=O)c4[nH]c5ccc(OC)cc5c4[n-]c3=S)CC2)cc1	ZINC000101497675	569800896	/nfs/dbraw/zinc/80/08/96/569800896.db2.gz	XMZGZXDFOBNIGI-UHFFFAOYSA-N	-1	0	479.562	2.906	50	10		JFCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101764175	569803921	/nfs/dbraw/zinc/80/39/21/569803921.db2.gz	ZUASPFHBRIJJDR-LJQANCHMSA-N	-1	0	467.913	2.648	50	10		JFCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1	ZINC000001197271	194067796	/nfs/dbraw/zinc/06/77/96/194067796.db2.gz	DLIMWSPINQRMAS-VGOFMYFVSA-N	-1	0	461.268	2.834	50	10		JFCARM
COCCNC(=O)c1c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2	ZINC000009831814	194982249	/nfs/dbraw/zinc/98/22/49/194982249.db2.gz	JMRFBLYMFWDSGT-UHFFFAOYSA-N	-1	0	452.554	2.575	50	10		JFCARM
COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(I)c1O	ZINC000096398854	130075473	/nfs/dbraw/zinc/07/54/73/130075473.db2.gz	BNEYQUNMBRMYFK-UXBLZVDNSA-N	-1	0	465.290	2.681	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(N3CCC(C)CC3)nc12	ZINC000002508683	525454586	/nfs/dbraw/zinc/45/45/86/525454586.db2.gz	ILFFOBXXBSMYQH-VBKFSLOCSA-N	-1	0	472.592	2.915	50	10		JFCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000002268501	554125894	/nfs/dbraw/zinc/12/58/94/554125894.db2.gz	DNZDKMDEVPIXMB-RVDMUPIBSA-N	-1	0	462.325	2.710	50	10		JFCARM
CC(=O)Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000005487265	554491273	/nfs/dbraw/zinc/49/12/73/554491273.db2.gz	CKDSSRXGNPFPPZ-UHFFFAOYSA-N	-1	0	451.460	2.993	50	10		JFCARM
COCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21	ZINC000006193967	554518031	/nfs/dbraw/zinc/51/80/31/554518031.db2.gz	LZCONOWOGKYWNM-FYJGNVAPSA-N	-1	0	490.585	2.852	50	10		JFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)c1	ZINC000013590375	555524805	/nfs/dbraw/zinc/52/48/05/555524805.db2.gz	YQVVXCLQZLWDLL-HKWRFOASSA-N	-1	0	468.535	2.748	50	10		JFCARM
COc1cc(/C=C2/C(C)=NN(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCC(N)=O	ZINC000013914270	555646072	/nfs/dbraw/zinc/64/60/72/555646072.db2.gz	YEWZGMDPRHBUAT-CHHVJCJISA-N	-1	0	488.294	2.826	50	10		JFCARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC	ZINC000027530623	556290987	/nfs/dbraw/zinc/29/09/87/556290987.db2.gz	HDJMXSOMJXFYBS-CAOOACKPSA-N	-1	0	474.516	2.948	50	10		JFCARM
O=C([O-])CN1C(=O)/C(=C2/c3ccccc3N(Cc3ccccc3[N+](=O)[O-])C2=O)SC1=S	ZINC000098086484	569750382	/nfs/dbraw/zinc/75/03/82/569750382.db2.gz	YXNQKYDHKOVQPN-WUKNDPDISA-N	-1	0	455.473	2.798	50	10		JFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100769907	569769382	/nfs/dbraw/zinc/76/93/82/569769382.db2.gz	MKMRDUMDZQWTKD-NTCAYCPXSA-N	-1	0	451.870	2.717	50	10		JFCARM
COc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccc(OC)cc34)CC2)cc1	ZINC000036358637	569772202	/nfs/dbraw/zinc/77/22/02/569772202.db2.gz	KUMOZNHAPYUUNK-HSZRJFAPSA-N	-1	0	453.495	2.691	50	10		JFCARM
Cc1cccc(-n2c([O-])c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@@H]4CC=C3)c(=O)[nH]c2=O)c1	ZINC000101112391	569783227	/nfs/dbraw/zinc/78/32/27/569783227.db2.gz	DCXLJAINQRQEKK-QCFZEVRASA-N	-1	0	453.454	2.817	50	10		JFCARM
CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000101186087	569786393	/nfs/dbraw/zinc/78/63/93/569786393.db2.gz	WFWPNNXHSVIFAC-HKWRFOASSA-N	-1	0	468.485	2.903	50	10		JFCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@H]1c1ccc(N(C)C)cc1	ZINC000101764339	569803782	/nfs/dbraw/zinc/80/37/82/569803782.db2.gz	WRSBAIIGKMLITD-IBGZPJMESA-N	-1	0	467.913	2.648	50	10		JFCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@H]1c1ccc(N(C)C)cc1	ZINC000101764294	569804017	/nfs/dbraw/zinc/80/40/17/569804017.db2.gz	WNAIKGMXWMHYSL-NRFANRHFSA-N	-1	0	461.522	2.612	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000103068126	569832509	/nfs/dbraw/zinc/83/25/09/569832509.db2.gz	JCLKBOUXFOIRQJ-QGOAFFKASA-N	-1	0	476.942	2.949	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000107811238	569857485	/nfs/dbraw/zinc/85/74/85/569857485.db2.gz	XADQPIHJIVYODB-QGOAFFKASA-N	-1	0	476.942	2.949	50	10		JFCARM
CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000207098517	569874779	/nfs/dbraw/zinc/87/47/79/569874779.db2.gz	LGHLVMJQZBZXOA-SDQBBNPISA-N	-1	0	460.327	2.677	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1O	ZINC000001067098	194014831	/nfs/dbraw/zinc/01/48/31/194014831.db2.gz	LJSHBLLBEUVZAB-NTUHNPAUSA-N	-1	0	478.242	2.980	50	10		JFCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Br)c1	ZINC000003005030	194200375	/nfs/dbraw/zinc/20/03/75/194200375.db2.gz	LGMOVBWDJHLCGD-DTQAZKPQSA-N	-1	0	477.359	2.993	50	10		JFCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1	ZINC000009282957	194656600	/nfs/dbraw/zinc/65/66/00/194656600.db2.gz	UCBSLJSCYRBCMV-HMAPJEAMSA-N	-1	0	486.528	2.783	50	10		JFCARM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1OC	ZINC000001186399	523220835	/nfs/dbraw/zinc/22/08/35/523220835.db2.gz	HJYHBFGYSZVDOY-NVNXTCNLSA-N	-1	0	489.278	2.676	50	10		JFCARM
CCC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)[nH]c2ccccc21	ZINC000002156020	554072692	/nfs/dbraw/zinc/07/26/92/554072692.db2.gz	LSKYETSVYXMGTK-RGEXLXHISA-N	-1	0	460.490	2.912	50	10	biogenic	JFCARM
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000002415073	554194540	/nfs/dbraw/zinc/19/45/40/554194540.db2.gz	GNHUTMIPNUZRLH-SQFISAMPSA-N	-1	0	460.581	2.997	50	10		JFCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl	ZINC000008443101	554592676	/nfs/dbraw/zinc/59/26/76/554592676.db2.gz	LVFBSIKHMCTEMZ-WQRHYEAKSA-N	-1	0	456.911	2.548	50	10		JFCARM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1O	ZINC000009233792	555006893	/nfs/dbraw/zinc/00/68/93/555006893.db2.gz	LGVZRSYVTAVNIT-BJMVGYQFSA-N	-1	0	465.290	2.681	50	10		JFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1	ZINC000009311428	555087739	/nfs/dbraw/zinc/08/77/39/555087739.db2.gz	RZRITOFOVQURNA-UVTDQMKNSA-N	-1	0	462.325	2.710	50	10		JFCARM
CCOc1cccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)[N-]C2=S)c1	ZINC000009462137	555230813	/nfs/dbraw/zinc/23/08/13/555230813.db2.gz	LODUDLILDXDUND-NVNXTCNLSA-N	-1	0	457.464	2.842	50	10		JFCARM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3cccs3)C2=O)c2ccccc21)NC[C@H]1CCCO1	ZINC000009463616	555234070	/nfs/dbraw/zinc/23/40/70/555234070.db2.gz	UWHVLFZQCZKZOT-MLHZQLSASA-N	-1	0	492.557	2.660	50	10		JFCARM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	ZINC000009601677	555426750	/nfs/dbraw/zinc/42/67/50/555426750.db2.gz	WVADNXANAVHIPR-IOVUBPJKSA-N	-1	0	478.549	2.731	50	10		JFCARM
COc1cc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)cc(OC)c1OC	ZINC000013639155	555546098	/nfs/dbraw/zinc/54/60/98/555546098.db2.gz	FJZFQVKXMNWSFL-WJDWOHSUSA-N	-1	0	466.562	2.807	50	10		JFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000013713343	555590966	/nfs/dbraw/zinc/59/09/66/555590966.db2.gz	LKVHREGGTWHGSE-LDADJPATSA-N	-1	0	461.474	2.752	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(NCCCOC(C)C)nc12	ZINC000013713512	555591106	/nfs/dbraw/zinc/59/11/06/555591106.db2.gz	KODKIUHBKPPWKN-GDNBJRDFSA-N	-1	0	476.580	2.516	50	10		JFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000017027538	556207437	/nfs/dbraw/zinc/20/74/37/556207437.db2.gz	TXJYRYMOLHFMTL-ATVHPVEESA-N	-1	0	451.870	2.717	50	10		JFCARM
NC(=O)COc1cccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c1	ZINC000096114717	569733920	/nfs/dbraw/zinc/73/39/20/569733920.db2.gz	UQVFPWIGSKKCML-OAHLLOKOSA-N	-1	0	489.436	2.882	50	10	biogenic	JFCARM
COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc1	ZINC000096222268	569739441	/nfs/dbraw/zinc/73/94/41/569739441.db2.gz	KCCBVZRLKJVZBX-IBGZPJMESA-N	-1	0	475.501	2.701	50	10	biogenic	JFCARM
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc1	ZINC000096222266	569739526	/nfs/dbraw/zinc/73/95/26/569739526.db2.gz	KCCBVZRLKJVZBX-LJQANCHMSA-N	-1	0	475.501	2.701	50	10	biogenic	JFCARM
Cc1cccc(-n2c([O-])c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@H]4CC=C3)c(=O)[nH]c2=O)c1	ZINC000101112396	569783259	/nfs/dbraw/zinc/78/32/59/569783259.db2.gz	DCXLJAINQRQEKK-JZJQOUJISA-N	-1	0	453.454	2.817	50	10		JFCARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1ccc(N(C)C)cc1	ZINC000101764977	569804027	/nfs/dbraw/zinc/80/40/27/569804027.db2.gz	BXHFHHJIPWCHHI-IBGZPJMESA-N	-1	0	453.543	2.901	50	10		JFCARM
CCCCCCc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c(O)cc1O	ZINC000229864543	570041612	/nfs/dbraw/zinc/04/16/12/570041612.db2.gz	QESMCFWVHNUTFE-CZYKHXBRSA-N	-1	0	496.516	2.822	50	10		JFCARM
COc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000001092677	194022508	/nfs/dbraw/zinc/02/25/08/194022508.db2.gz	CQSYKKLEEVTUHC-WOJGMQOQSA-N	-1	0	465.462	2.763	50	10		JFCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)ccc1Br	ZINC000001212039	194071428	/nfs/dbraw/zinc/07/14/28/194071428.db2.gz	NQAAXGMUSQMUBJ-RVDMUPIBSA-N	-1	0	460.284	2.854	50	10		JFCARM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC[C@H]1CCCO1	ZINC000009601678	194804217	/nfs/dbraw/zinc/80/42/17/194804217.db2.gz	WVADNXANAVHIPR-DBRLUCFCSA-N	-1	0	478.549	2.731	50	10		JFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(CCN(C)C(C)=O)cc4c(c3OC)OCO4)C2=O)cc1	ZINC000012660604	195080420	/nfs/dbraw/zinc/08/04/20/195080420.db2.gz	YONGPPQOMNDUNM-MOSHPQCFSA-N	-1	0	493.516	2.674	50	10	biogenic	JFCARM
CCCOC(=O)c1ccc(Oc2coc3c(ccc([O-])c3CN3CCN(CCO)CC3)c2=O)cc1	ZINC000020392197	520223505	/nfs/dbraw/zinc/22/35/05/520223505.db2.gz	XMCYNPIXXXBJJX-UHFFFAOYSA-N	-1	0	482.533	2.968	50	10		JFCARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OC)c(OC)c3)C2=O)cc1	ZINC000001184669	522078792	/nfs/dbraw/zinc/07/87/92/522078792.db2.gz	LEYJSMJAAZEKNK-ZSOIEALJSA-N	-1	0	489.278	2.919	50	10		JFCARM
CN1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)o2)C(=O)N(C)C1=O	ZINC000005940917	523676135	/nfs/dbraw/zinc/67/61/35/523676135.db2.gz	NBEKZADGJUDTHV-UHFFFAOYSA-N	-1	0	472.504	2.638	50	10		JFCARM
COCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c2ccccc21	ZINC000012474916	523900514	/nfs/dbraw/zinc/90/05/14/523900514.db2.gz	WODMZMKXSFCZGF-DEDYPNTBSA-N	-1	0	474.517	2.687	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(N3C[C@H](C)C[C@H](C)C3)nc12	ZINC000033162109	525455808	/nfs/dbraw/zinc/45/58/08/525455808.db2.gz	XVYLZGKLDKZWGI-GTBQORPESA-N	-1	0	472.592	2.771	50	10		JFCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)[N-]C2=S)cc1	ZINC000006645245	554557476	/nfs/dbraw/zinc/55/74/76/554557476.db2.gz	HTXVNXQQRNJKBM-WQLSENKSSA-N	-1	0	454.245	2.724	50	10		JFCARM
CCOC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000013551904	555492225	/nfs/dbraw/zinc/49/22/25/555492225.db2.gz	RHKKBQIVEYJOMG-RQZCQDPDSA-N	-1	0	461.430	2.600	50	10		JFCARM
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000013590377	555524844	/nfs/dbraw/zinc/52/48/44/555524844.db2.gz	GKOWMTSZVQWUPN-CYVLTUHYSA-N	-1	0	498.561	2.757	50	10		JFCARM
CCOC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000013810416	555625446	/nfs/dbraw/zinc/62/54/46/555625446.db2.gz	RHKKBQIVEYJOMG-MFOYZWKCSA-N	-1	0	461.430	2.600	50	10		JFCARM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	ZINC000013894170	555641827	/nfs/dbraw/zinc/64/18/27/555641827.db2.gz	UVRYZPWQSUEWDD-WQRHYEAKSA-N	-1	0	456.476	2.848	50	10		JFCARM
Cc1nc2c(C(=O)NCCCN3CCOCC3)c[n-]n2c(=O)c1Cc1ccc(F)cc1Cl	ZINC000020136959	555660980	/nfs/dbraw/zinc/66/09/80/555660980.db2.gz	ZFICWFJRMVIGPV-UHFFFAOYSA-N	-1	0	461.925	2.579	50	10		JFCARM
CCOC(=O)c1ccc(Oc2coc3c(ccc([O-])c3CN3CCN(CCO)CC3)c2=O)cc1	ZINC000019359151	556345185	/nfs/dbraw/zinc/34/51/85/556345185.db2.gz	LLJZRSMNNTXUFY-UHFFFAOYSA-N	-1	0	468.506	2.578	50	10		JFCARM
NC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c1	ZINC000096114716	569733843	/nfs/dbraw/zinc/73/38/43/569733843.db2.gz	UQVFPWIGSKKCML-HNNXBMFYSA-N	-1	0	489.436	2.882	50	10	biogenic	JFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100774585	569769615	/nfs/dbraw/zinc/76/96/15/569769615.db2.gz	KEFOEEVQHBMHQG-CPNJWEJPSA-N	-1	0	459.506	2.988	50	10		JFCARM
Cc1cccc(-n2c([O-])c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@H]4CC=C3)c(=O)[nH]c2=O)c1	ZINC000101112393	569783172	/nfs/dbraw/zinc/78/31/72/569783172.db2.gz	DCXLJAINQRQEKK-WTNJKROQSA-N	-1	0	453.454	2.817	50	10		JFCARM
CCN(CC)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2C(C)=O)cc1	ZINC000101456230	569798082	/nfs/dbraw/zinc/79/80/82/569798082.db2.gz	SDLNIJIOBHLZLB-QFIPXVFZSA-N	-1	0	475.549	2.834	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000038183308	569800478	/nfs/dbraw/zinc/80/04/78/569800478.db2.gz	ANDZYZQBRNAYKO-RGEXLXHISA-N	-1	0	456.524	2.604	50	10		JFCARM
COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])cc1	ZINC000206062548	569874523	/nfs/dbraw/zinc/87/45/23/569874523.db2.gz	VDDDZPUYVCEZRP-IBGZPJMESA-N	-1	0	475.501	2.701	50	10		JFCARM
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])cc1	ZINC000206062517	569874582	/nfs/dbraw/zinc/87/45/82/569874582.db2.gz	VDDDZPUYVCEZRP-LJQANCHMSA-N	-1	0	475.501	2.701	50	10		JFCARM
O=C(C[C@H](c1ccc(F)cc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218325609	569883223	/nfs/dbraw/zinc/88/32/23/569883223.db2.gz	FTEXRCPJDUXTRD-GOSISDBHSA-N	-1	0	463.465	2.831	50	10		JFCARM
O=C(C[C@H](c1ccsc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218325783	569883233	/nfs/dbraw/zinc/88/32/33/569883233.db2.gz	CROCKSWSSGZSOW-MRXNPFEDSA-N	-1	0	451.504	2.754	50	10		JFCARM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(Br)cc4)C3=O)o2)cc1	ZINC000001203505	194069237	/nfs/dbraw/zinc/06/92/37/194069237.db2.gz	GBKGDBTZTPKXOO-BOPFTXTBSA-N	-1	0	488.319	2.818	50	10		JFCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)o3)C2=O)c1	ZINC000001212178	194071464	/nfs/dbraw/zinc/07/14/64/194071464.db2.gz	XHUKILWKVODHLP-UKTHLTGXSA-N	-1	0	452.204	2.949	50	10		JFCARM
CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)CC1	ZINC000002520571	194162171	/nfs/dbraw/zinc/16/21/71/194162171.db2.gz	JTJQSYPAQUBEJB-QINSGFPZSA-N	-1	0	458.565	2.607	50	10		JFCARM
CCN1C(=O)/C(=C\c2cn(CC(=O)[O-])c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000008778085	521516876	/nfs/dbraw/zinc/51/68/76/521516876.db2.gz	UVUBCCKWMXDMJE-BKUYFWCQSA-N	-1	0	495.557	2.654	50	10		JFCARM
CCOC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCN(CCO)CC3)c2=O)cc1	ZINC000020392430	521525177	/nfs/dbraw/zinc/52/51/77/521525177.db2.gz	SZOYHPVMOLWELH-UHFFFAOYSA-N	-1	0	482.533	2.886	50	10		JFCARM
COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)c1	ZINC000015012117	521817865	/nfs/dbraw/zinc/81/78/65/521817865.db2.gz	FAKOQTYLYFBMQV-OVCLIPMQSA-N	-1	0	461.473	2.806	50	10		JFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)cc1	ZINC000012285290	522311334	/nfs/dbraw/zinc/31/13/34/522311334.db2.gz	RDNBWZOOQVJQJW-UHFFFAOYSA-N	-1	0	475.295	2.973	50	10		JFCARM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001176625	523219923	/nfs/dbraw/zinc/21/99/23/523219923.db2.gz	BRPACPJMUUNKFG-YBEGLDIGSA-N	-1	0	475.320	2.832	50	10		JFCARM
COC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000001176650	523234594	/nfs/dbraw/zinc/23/45/94/523234594.db2.gz	WBCIIHHVCCLPKH-XNTDXEJSSA-N	-1	0	459.252	2.667	50	10		JFCARM
O=C(c1ccco1)N1CCN(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1	ZINC000000627746	553715479	/nfs/dbraw/zinc/71/54/79/553715479.db2.gz	FLQNQVYNAWICNW-QBFSEMIESA-N	-1	0	479.345	2.676	50	10		JFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OC(=O)c1cccc(OC)c1	ZINC000001121047	553911503	/nfs/dbraw/zinc/91/15/03/553911503.db2.gz	AYSOIXUIWNYOSN-UHFFFAOYSA-N	-1	0	489.278	2.825	50	10		JFCARM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	ZINC000002169500	554076085	/nfs/dbraw/zinc/07/60/85/554076085.db2.gz	GQJCCNVURBPMOO-WOJGMQOQSA-N	-1	0	456.476	2.848	50	10		JFCARM
COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)cc1OC	ZINC000002688842	554284856	/nfs/dbraw/zinc/28/48/56/554284856.db2.gz	VFRPXAAKDVOLRO-VXPUYCOJSA-N	-1	0	484.555	2.949	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000002740067	554321310	/nfs/dbraw/zinc/32/13/10/554321310.db2.gz	JCLKBOUXFOIRQJ-AQTBWJFISA-N	-1	0	476.942	2.949	50	10		JFCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(N3CCOCC3)o2)C1=O	ZINC000006973848	554562963	/nfs/dbraw/zinc/56/29/63/554562963.db2.gz	HCDWRYSNRVOLKJ-UVTDQMKNSA-N	-1	0	460.284	2.854	50	10		JFCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC	ZINC000008819434	554704790	/nfs/dbraw/zinc/70/47/90/554704790.db2.gz	HDJMXSOMJXFYBS-IUXPMGMMSA-N	-1	0	474.516	2.948	50	10		JFCARM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br	ZINC000009311377	555087746	/nfs/dbraw/zinc/08/77/46/555087746.db2.gz	IDSAYMQVYLMHSM-ZROIWOOFSA-N	-1	0	475.320	2.832	50	10		JFCARM
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(Br)c2)S1	ZINC000009763280	555488614	/nfs/dbraw/zinc/48/86/14/555488614.db2.gz	TVYWWPHXURJLLG-ONNFQVAWSA-N	-1	0	478.118	2.781	50	10		JFCARM
CCCCCCn1c(=O)[nH]c2nc3cc(NC=C4C(=O)[N-]C(=O)N(C)C4=O)c(C)cc3nc2c1=O	ZINC000020151874	555668877	/nfs/dbraw/zinc/66/88/77/555668877.db2.gz	KYYTVPXOFOJZNQ-ACCUITESSA-N	-1	0	479.497	2.778	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1O	ZINC000015659224	555922419	/nfs/dbraw/zinc/92/24/19/555922419.db2.gz	OIIIHWPVBUHYFU-KPKJPENVSA-N	-1	0	464.215	2.672	50	10		JFCARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc1OC	ZINC000015938898	556075355	/nfs/dbraw/zinc/07/53/55/556075355.db2.gz	YIUWSTBABBLVJM-SXGWCWSVSA-N	-1	0	475.295	2.861	50	10		JFCARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)ccc1O	ZINC000023634818	556081015	/nfs/dbraw/zinc/08/10/15/556081015.db2.gz	PVPZWSGTGXZZCR-ZROIWOOFSA-N	-1	0	450.232	2.857	50	10		JFCARM
CN(C)c1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)[O-])cc1	ZINC000057015403	569593980	/nfs/dbraw/zinc/59/39/80/569593980.db2.gz	QDYOJICBTRNQMT-HXUWFJFHSA-N	-1	0	458.540	2.667	50	10		JFCARM
COc1c2c(cc(CCN(C)C(C)=O)c1C=C1C(=O)[N-]C(=O)N(c3ccccc3)C1=O)OCO2	ZINC000033739890	569632972	/nfs/dbraw/zinc/63/29/72/569632972.db2.gz	CTNCPPCSUYJRJE-LDADJPATSA-N	-1	0	465.462	2.951	50	10	biogenic	JFCARM
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000098087025	569750653	/nfs/dbraw/zinc/75/06/53/569750653.db2.gz	DIHGVLAPUMIMMO-WUXMJOGZSA-N	-1	0	490.353	2.685	50	10		JFCARM
Cc1c(NC=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100755261	569768930	/nfs/dbraw/zinc/76/89/30/569768930.db2.gz	AYYLRLAUPJVHLB-NTCAYCPXSA-N	-1	0	467.938	2.882	50	10		JFCARM
COC(=O)c1[nH]c2cccc(OC)c2c1NC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	ZINC000101452218	569797800	/nfs/dbraw/zinc/79/78/00/569797800.db2.gz	PTVQQSMDHBPOTG-SQFISAMPSA-N	-1	0	462.462	2.580	50	10		JFCARM
CCN(CC)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2C(C)=O)cc1	ZINC000101456250	569798261	/nfs/dbraw/zinc/79/82/61/569798261.db2.gz	FNPQDPSJUYFGAJ-OAQYLSRUSA-N	-1	0	491.548	2.784	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12	ZINC000033162108	525454629	/nfs/dbraw/zinc/45/46/29/525454629.db2.gz	XVYLZGKLDKZWGI-CWJRHKRGSA-N	-1	0	472.592	2.771	50	10		JFCARM
CSCC[C@@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC(C)(C)C	ZINC000020477961	525548998	/nfs/dbraw/zinc/54/89/98/525548998.db2.gz	INDSEMYXMYTXGY-ATGUSINASA-N	-1	0	453.948	2.860	50	10		JFCARM
O=C(c1ccco1)N1CCN(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)CC1	ZINC000002178836	554078879	/nfs/dbraw/zinc/07/88/79/554078879.db2.gz	CDJFXQQVGOIRJT-VAWYXSNFSA-N	-1	0	479.345	2.676	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000006511949	554548691	/nfs/dbraw/zinc/54/86/91/554548691.db2.gz	MUPSJOGBXWURCL-RGEXLXHISA-N	-1	0	456.524	2.604	50	10		JFCARM
CC(=O)N1CCN(c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)CC1	ZINC000009411227	555178491	/nfs/dbraw/zinc/17/84/91/555178491.db2.gz	QRMGFNYBISLMES-XSFVSMFZSA-N	-1	0	467.913	2.587	50	10		JFCARM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1OC	ZINC000013562093	555496259	/nfs/dbraw/zinc/49/62/59/555496259.db2.gz	OYCSETSBHCJPRB-ZROIWOOFSA-N	-1	0	450.232	2.770	50	10		JFCARM
Cc1oc2c(ccc([O-])c2CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=O)c1-c1ccccc1	ZINC000022095213	555873526	/nfs/dbraw/zinc/87/35/26/555873526.db2.gz	HJPCNQDJMOMWJE-LJQANCHMSA-N	-1	0	468.575	2.779	50	10		JFCARM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000015799602	556007743	/nfs/dbraw/zinc/00/77/43/556007743.db2.gz	BRPACPJMUUNKFG-MHWRWJLKSA-N	-1	0	475.320	2.832	50	10		JFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	ZINC000015821493	556009963	/nfs/dbraw/zinc/00/99/63/556009963.db2.gz	RZRITOFOVQURNA-GXDHUFHOSA-N	-1	0	462.325	2.710	50	10		JFCARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC	ZINC000027530625	556291023	/nfs/dbraw/zinc/29/10/23/556291023.db2.gz	JXYNHZQFPPPJLQ-CAOOACKPSA-N	-1	0	474.516	2.948	50	10		JFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100754583	569768989	/nfs/dbraw/zinc/76/89/89/569768989.db2.gz	GYUGRBLPJBDKAW-SFQUDFHCSA-N	-1	0	451.870	2.717	50	10		JFCARM
COc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccc(OC)cc34)CC2)cc1	ZINC000036358636	569772232	/nfs/dbraw/zinc/77/22/32/569772232.db2.gz	KUMOZNHAPYUUNK-QHCPKHFHSA-N	-1	0	453.495	2.691	50	10		JFCARM
CCN(CC)c1ccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c(O)c1	ZINC000103008616	569831644	/nfs/dbraw/zinc/83/16/44/569831644.db2.gz	KKLLQPHSPKYEEH-PDFGSZSQSA-N	-1	0	451.523	2.527	50	10		JFCARM
COc1ccc(O)c([C@@H]2[NH2+][C@](CC(C)C)(C(=O)[O-])[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)c1	ZINC000248160357	570075743	/nfs/dbraw/zinc/07/57/43/570075743.db2.gz	GMOYMGBNMQFJKA-HSGJQSDISA-N	-1	0	468.506	2.729	50	10		JFCARM
CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1O	ZINC000001202937	194069161	/nfs/dbraw/zinc/06/91/61/194069161.db2.gz	GLUFOPBPKNOPQE-MDWZMJQESA-N	-1	0	450.232	2.857	50	10		JFCARM
O=C([O-])CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S	ZINC000001818217	194145636	/nfs/dbraw/zinc/14/56/36/194145636.db2.gz	BLCGWHXFRDSNIK-VHEBQXMUSA-N	-1	0	485.518	2.857	50	10		JFCARM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000002379444	194160360	/nfs/dbraw/zinc/16/03/60/194160360.db2.gz	DCTLBZAGFTUKRX-WPNIOXTASA-N	-1	0	466.881	2.662	50	10		JFCARM
COc1ccc(C2(CNC=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)CCOCC2)cc1	ZINC000020625162	195191040	/nfs/dbraw/zinc/19/10/40/195191040.db2.gz	YYKJUXSZMXCCIS-HMMYKYKNSA-N	-1	0	451.548	2.665	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(N3CCC(C)CC3)nc12	ZINC000033162107	525454781	/nfs/dbraw/zinc/45/47/81/525454781.db2.gz	OILFDDBILBPEDP-XNTDXEJSSA-N	-1	0	458.565	2.525	50	10		JFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1	ZINC000016480181	527048334	/nfs/dbraw/zinc/04/83/34/527048334.db2.gz	YXBQPDBQVCMUBZ-PGMHBOJBSA-N	-1	0	476.514	2.744	50	10		JFCARM
O=C([O-])CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S	ZINC000002605641	554240721	/nfs/dbraw/zinc/24/07/21/554240721.db2.gz	SXRUKMITWWDEHM-BOPFTXTBSA-N	-1	0	478.555	2.543	50	10		JFCARM
COc1ccc(N2CCN(C(=O)CCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)cc1	ZINC000002975384	554415369	/nfs/dbraw/zinc/41/53/69/554415369.db2.gz	DILVMPWNNDYBRL-UHFFFAOYSA-N	-1	0	468.535	2.535	50	10		JFCARM
COCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	ZINC000006245150	554521498	/nfs/dbraw/zinc/52/14/98/554521498.db2.gz	HAPSVHMNLUNZFH-DEDYPNTBSA-N	-1	0	476.558	2.544	50	10		JFCARM
CCOC(=O)CSCCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000008837096	554737569	/nfs/dbraw/zinc/73/75/69/554737569.db2.gz	UXYZNACVCSZQGY-AQTBWJFISA-N	-1	0	456.520	2.832	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12	ZINC000016736824	556156220	/nfs/dbraw/zinc/15/62/20/556156220.db2.gz	XVYLZGKLDKZWGI-DKMDKWEQSA-N	-1	0	472.592	2.771	50	10		JFCARM
Cc1ccc2nc(N3C[C@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(=O)n2c1	ZINC000016736673	556156228	/nfs/dbraw/zinc/15/62/28/556156228.db2.gz	QQKZQVAXUFZTPK-WKKXACCHSA-N	-1	0	472.592	2.771	50	10		JFCARM
COCC(=O)Nc1ccc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(=O)[O-])c2c1	ZINC000033010374	569616730	/nfs/dbraw/zinc/61/67/30/569616730.db2.gz	XEJBRRHPYKJVLE-UHFFFAOYSA-N	-1	0	450.495	2.853	50	10		JFCARM
COc1cc(/C=C2\C(C)=NN(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCC(N)=O	ZINC000100321230	569757323	/nfs/dbraw/zinc/75/73/23/569757323.db2.gz	YEWZGMDPRHBUAT-VIZOYTHASA-N	-1	0	488.294	2.826	50	10		JFCARM
N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN21	ZINC000100571556	569764963	/nfs/dbraw/zinc/76/49/63/569764963.db2.gz	PQLVJDZPOKPQJK-RSRMSENYSA-N	-1	0	493.501	2.513	50	10		JFCARM
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000101350748	569794012	/nfs/dbraw/zinc/79/40/12/569794012.db2.gz	ALOVPITWHAQIQK-XDJHFCHBSA-N	-1	0	498.561	2.757	50	10		JFCARM
CCCCCCc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c(O)cc1O	ZINC000106937989	569855908	/nfs/dbraw/zinc/85/59/08/569855908.db2.gz	QESMCFWVHNUTFE-CMOCDZPBSA-N	-1	0	496.516	2.822	50	10		JFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OC(=O)c1ccc(OC)cc1	ZINC000001197921	194067736	/nfs/dbraw/zinc/06/77/36/194067736.db2.gz	IKLDVNVEBPQONJ-UHFFFAOYSA-N	-1	0	489.278	2.825	50	10		JFCARM
O=C([O-])CCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCCCC2)SC1=S	ZINC000001757605	194134662	/nfs/dbraw/zinc/13/46/62/194134662.db2.gz	BIISLFOSEBJGPF-FYWRMAATSA-N	-1	0	458.565	2.751	50	10		JFCARM
O=C1/C(=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000001823744	194146688	/nfs/dbraw/zinc/14/66/88/194146688.db2.gz	HMQMBRGCCRWBLB-WUKNDPDISA-N	-1	0	478.548	2.832	50	10		JFCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)c1	ZINC000002982143	194194214	/nfs/dbraw/zinc/19/42/14/194194214.db2.gz	REYGLOGLJLMHRC-LFIBNONCSA-N	-1	0	490.310	2.944	50	10		JFCARM
NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	ZINC000003767536	194360344	/nfs/dbraw/zinc/36/03/44/194360344.db2.gz	OCCADCSUJKKZGF-WQRHYEAKSA-N	-1	0	477.329	2.893	50	10		JFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1C	ZINC000009891815	195015380	/nfs/dbraw/zinc/01/53/80/195015380.db2.gz	PNVYNOHONQXMIZ-STZFKDTASA-N	-1	0	486.528	2.783	50	10		JFCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1	ZINC000001162143	520556115	/nfs/dbraw/zinc/55/61/15/520556115.db2.gz	FSJSUQLXYIMYSJ-GDNBJRDFSA-N	-1	0	456.351	2.900	50	10		JFCARM
O=C(c1ccco1)N1CCN(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)CC1	ZINC000033349815	526828688	/nfs/dbraw/zinc/82/86/88/526828688.db2.gz	CDJFXQQVGOIRJT-QXMHVHEDSA-N	-1	0	479.345	2.676	50	10		JFCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	ZINC000002982665	527048597	/nfs/dbraw/zinc/04/85/97/527048597.db2.gz	JIYWTHJGPHKRQI-NTEUORMPSA-N	-1	0	464.247	2.684	50	10		JFCARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl	ZINC000000678050	553751414	/nfs/dbraw/zinc/75/14/14/553751414.db2.gz	LVFBSIKHMCTEMZ-WOJGMQOQSA-N	-1	0	456.911	2.548	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(I)c1O	ZINC000000680588	553753559	/nfs/dbraw/zinc/75/35/59/553753559.db2.gz	HXAJHFMLVBILNT-WUXMJOGZSA-N	-1	0	454.195	2.606	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	ZINC000002237444	554108171	/nfs/dbraw/zinc/10/81/71/554108171.db2.gz	FNFBQNZSTHCMMI-XMHGGMMESA-N	-1	0	450.472	2.924	50	10		JFCARM
O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NC[C@H](O)c2ccccc2)SC1=S	ZINC000002375273	554173105	/nfs/dbraw/zinc/17/31/05/554173105.db2.gz	PLIIZIOABSEIHJ-BQGMYUGNSA-N	-1	0	496.570	2.516	50	10		JFCARM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3cccs3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	ZINC000009463609	555234076	/nfs/dbraw/zinc/23/40/76/555234076.db2.gz	UWHVLFZQCZKZOT-PBGVMVHZSA-N	-1	0	492.557	2.660	50	10		JFCARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000009465498	555239914	/nfs/dbraw/zinc/23/99/14/555239914.db2.gz	QQQCWSLRTKHQPO-UHFFFAOYSA-N	-1	0	465.509	2.664	50	10		JFCARM
COC(CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(CCCC(C)C)C1=O)OC	ZINC000013591484	555525831	/nfs/dbraw/zinc/52/58/31/555525831.db2.gz	ZSGXUPLRFBNJPR-SFQUDFHCSA-N	-1	0	462.503	2.548	50	10		JFCARM
COc1ccc(N2CCN(C(=O)Cc3csc([N-]S(=O)(=O)c4ccccc4)n3)CC2)cc1	ZINC000009828681	555526903	/nfs/dbraw/zinc/52/69/03/555526903.db2.gz	SSQITQQTHVGEEW-UHFFFAOYSA-N	-1	0	472.592	2.844	50	10		JFCARM
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCN(CCO)CC2)c1[O-]	ZINC000020109631	555645534	/nfs/dbraw/zinc/64/55/34/555645534.db2.gz	YMQPWDNZCQDEKS-UHFFFAOYSA-N	-1	0	462.550	2.725	50	10	biogenic	JFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)cc1	ZINC000022107388	555874275	/nfs/dbraw/zinc/87/42/75/555874275.db2.gz	VDDYDPWBSJXVCS-NTUHNPAUSA-N	-1	0	494.241	2.680	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12	ZINC000016736829	556156226	/nfs/dbraw/zinc/15/62/26/556156226.db2.gz	XVYLZGKLDKZWGI-GKUYHTSYSA-N	-1	0	472.592	2.771	50	10		JFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(N3CCC(C)CC3)nc12	ZINC000016741568	556156411	/nfs/dbraw/zinc/15/64/11/556156411.db2.gz	OILFDDBILBPEDP-GDNBJRDFSA-N	-1	0	458.565	2.525	50	10		JFCARM
COC(=O)C[C@H](c1cnn(C)c1C)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096115700	569734595	/nfs/dbraw/zinc/73/45/95/569734595.db2.gz	ZPRXNRKIZZPYRH-GFCCVEGCSA-N	-1	0	482.445	2.725	50	10	biogenic	JFCARM
Cc1c(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100787927	569769966	/nfs/dbraw/zinc/76/99/66/569769966.db2.gz	MVTYQULOONGDPT-SFQUDFHCSA-N	-1	0	467.938	2.882	50	10		JFCARM
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000101469906	569798872	/nfs/dbraw/zinc/79/88/72/569798872.db2.gz	GKOWMTSZVQWUPN-XDJHFCHBSA-N	-1	0	498.561	2.757	50	10		JFCARM
COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263586469	570171817	/nfs/dbraw/zinc/17/18/17/570171817.db2.gz	UTLKJKTZUICBMS-KRWDZBQOSA-N	-1	0	499.516	2.972	50	10	biogenic	JFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccccc1C	ZINC000001177712	194062223	/nfs/dbraw/zinc/06/22/23/194062223.db2.gz	JFBGNNVOMMRLNJ-UHFFFAOYSA-N	-1	0	492.269	2.937	50	10		JFCARM
O=C1N=C([O-])/C(=C\c2c(=O)n(-c3ccccc3)c([O-])nc2-[n+]2ccccc2)C(=O)N1c1ccccc1	ZINC000001256735	194080542	/nfs/dbraw/zinc/08/05/42/194080542.db2.gz	FVCAPHYFMOJJLK-UHFFFAOYSA-O	-1	0	480.460	2.722	50	10		JFCARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	ZINC000001872074	194151306	/nfs/dbraw/zinc/15/13/06/194151306.db2.gz	ASAGVDYNLBSSET-PTNGSMBKSA-N	-1	0	490.310	2.731	50	10		JFCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)[N-]C2=S)cc1	ZINC000002878869	194167135	/nfs/dbraw/zinc/16/71/35/194167135.db2.gz	HTXVNXQQRNJKBM-XYOKQWHBSA-N	-1	0	454.245	2.724	50	10		JFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	ZINC000033351338	521949054	/nfs/dbraw/zinc/94/90/54/521949054.db2.gz	FNFBQNZSTHCMMI-RGEXLXHISA-N	-1	0	450.472	2.924	50	10		JFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccccc1	ZINC000004196123	522311690	/nfs/dbraw/zinc/31/16/90/522311690.db2.gz	VRXTWEZDZPMODB-UHFFFAOYSA-N	-1	0	461.268	2.665	50	10		JFCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Br)c1	ZINC000016193643	527048195	/nfs/dbraw/zinc/04/81/95/527048195.db2.gz	VGDXUGWPEKWSBP-GHRIWEEISA-N	-1	0	485.338	2.860	50	10		JFCARM
O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000000725976	553774046	/nfs/dbraw/zinc/77/40/46/553774046.db2.gz	KNNIVUKTSMMDLY-AQTBWJFISA-N	-1	0	475.286	2.589	50	10		JFCARM
O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NCc2ccco2)SC1=S	ZINC000002349517	554160741	/nfs/dbraw/zinc/16/07/41/554160741.db2.gz	MFJJRJNEMHEZFX-UVTDQMKNSA-N	-1	0	456.505	2.576	50	10		JFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)[nH]c2ccccc21	ZINC000002402936	554186865	/nfs/dbraw/zinc/18/68/65/554186865.db2.gz	DMCMZKXVYMMBIT-VBKFSLOCSA-N	-1	0	450.495	2.817	50	10		JFCARM
CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1	ZINC000020208226	555700477	/nfs/dbraw/zinc/70/04/77/555700477.db2.gz	HVYUCVIPLFKSHI-FZKGXIISSA-N	-1	0	458.477	2.656	50	10		JFCARM
CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)CC1	ZINC000011990640	555877491	/nfs/dbraw/zinc/87/74/91/555877491.db2.gz	AUQUNUFCQWJFFS-SSZFMOIBSA-N	-1	0	472.592	2.997	50	10		JFCARM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000022135408	555880759	/nfs/dbraw/zinc/88/07/59/555880759.db2.gz	GPXLEJYNCOVYOC-OQLLNIDSSA-N	-1	0	489.278	2.676	50	10		JFCARM
O=C1[N-]C(=O)C(=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)C(=O)N1	ZINC000059391688	569602827	/nfs/dbraw/zinc/60/28/27/569602827.db2.gz	ANHJFFVWWGSMOC-UHFFFAOYSA-N	-1	0	458.455	2.879	50	10		JFCARM
O=C1C[C@@H](c2cnn3cccnc23)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096221622	569739027	/nfs/dbraw/zinc/73/90/27/569739027.db2.gz	IBZIDKRDICLJMD-NSHDSACASA-N	-1	0	473.397	2.766	50	10	biogenic	JFCARM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000101448712	569797772	/nfs/dbraw/zinc/79/77/72/569797772.db2.gz	JTGHDKBVIKPMRX-KGENOOAVSA-N	-1	0	465.462	2.912	50	10		JFCARM
O=C([O-])CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCCCC2)SC1=S	ZINC000001757607	194134820	/nfs/dbraw/zinc/13/48/20/194134820.db2.gz	BIISLFOSEBJGPF-SQFISAMPSA-N	-1	0	458.565	2.751	50	10		JFCARM
CCOC(=O)N1CCN(c2cc(NCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000058012537	195362197	/nfs/dbraw/zinc/36/21/97/195362197.db2.gz	ZKCKMTLLUUMDLR-UHFFFAOYSA-N	-1	0	450.451	2.814	50	10		JFCARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OC)c(OC)c3)C2=O)cc1	ZINC000001184668	522077951	/nfs/dbraw/zinc/07/79/51/522077951.db2.gz	LEYJSMJAAZEKNK-RIYZIHGNSA-N	-1	0	489.278	2.919	50	10		JFCARM
COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)[N-]C1=S	ZINC000012468414	524534039	/nfs/dbraw/zinc/53/40/39/524534039.db2.gz	KFECWJSLGKEMSV-DHZHZOJOSA-N	-1	0	480.283	2.837	50	10		JFCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(I)c1	ZINC000001154570	553918174	/nfs/dbraw/zinc/91/81/74/553918174.db2.gz	SUAXUWZSJNVMLB-WUXMJOGZSA-N	-1	0	452.179	2.802	50	10		JFCARM
Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(=O)n2c1	ZINC000002508688	554231192	/nfs/dbraw/zinc/23/11/92/554231192.db2.gz	WPIGOWFQRDJNLF-DHDCSXOGSA-N	-1	0	470.532	2.884	50	10		JFCARM
COc1c2c(cc(CCN(C)C(C)=O)c1C=C1C(=O)[N-]C(=O)N(c3ccccc3)C1=O)OCO2	ZINC000009046220	554870551	/nfs/dbraw/zinc/87/05/51/554870551.db2.gz	CTNCPPCSUYJRJE-PDGQHHTCSA-N	-1	0	465.462	2.951	50	10	biogenic	JFCARM
O=C([O-])CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccccc2F)SC1=S	ZINC000009210516	554980058	/nfs/dbraw/zinc/98/00/58/554980058.db2.gz	KAYFNJQERJKWGX-ZROIWOOFSA-N	-1	0	457.464	2.912	50	10		JFCARM
COc1cc(C=C2SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1nc2ccccc2c(=O)[nH]1	ZINC000009235713	555009729	/nfs/dbraw/zinc/00/97/29/555009729.db2.gz	RWFZNMJJFVPCBD-MFOYZWKCSA-N	-1	0	483.527	2.797	50	10		JFCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O	ZINC000009260102	555034452	/nfs/dbraw/zinc/03/44/52/555034452.db2.gz	HNBPKKLLWPOCOF-QNGOZBTKSA-N	-1	0	486.528	2.729	50	10		JFCARM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1CC(=O)OC	ZINC000019894237	555531895	/nfs/dbraw/zinc/53/18/95/555531895.db2.gz	LIMOJMLWLLJPII-CPNJWEJPSA-N	-1	0	474.473	2.643	50	10		JFCARM
O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NC[C@@H](O)c2ccccc2)SC1=S	ZINC000013749343	555608433	/nfs/dbraw/zinc/60/84/33/555608433.db2.gz	PLIIZIOABSEIHJ-WISAJEAXSA-N	-1	0	496.570	2.516	50	10		JFCARM
COC(=O)C[C@@H]1C(=O)NCCN1Cc1c([O-])c(C(=O)Nc2ccccc2C)cc2ccccc21	ZINC000012914006	556132969	/nfs/dbraw/zinc/13/29/69/556132969.db2.gz	ZDLMXEIRCBCUHW-JOCHJYFZSA-N	-1	0	461.518	2.970	50	10		JFCARM
Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(=O)n2c1	ZINC000016736669	556156191	/nfs/dbraw/zinc/15/61/91/556156191.db2.gz	QQKZQVAXUFZTPK-JVDHJZLLSA-N	-1	0	472.592	2.771	50	10		JFCARM
O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc2nsnc21	ZINC000019079760	556330094	/nfs/dbraw/zinc/33/00/94/556330094.db2.gz	HSXIELAFTWLHAY-UHFFFAOYSA-N	-1	0	450.523	2.564	50	10		JFCARM
COc1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(C)(=O)=O)ccc4n3)CC2)cc1	ZINC000032985198	569608285	/nfs/dbraw/zinc/60/82/85/569608285.db2.gz	MYQZLCGVGILBKM-UHFFFAOYSA-N	-1	0	456.524	2.640	50	10		JFCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1	ZINC000100786382	569769953	/nfs/dbraw/zinc/76/99/53/569769953.db2.gz	BJCPIJQEDVBYQB-JWGURIENSA-N	-1	0	450.514	2.585	50	10		JFCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1	ZINC000100794553	569770245	/nfs/dbraw/zinc/77/02/45/569770245.db2.gz	PPYQWPZISXUSET-MHWRWJLKSA-N	-1	0	490.257	2.828	50	10		JFCARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101764979	569803789	/nfs/dbraw/zinc/80/37/89/569803789.db2.gz	BXHFHHJIPWCHHI-LJQANCHMSA-N	-1	0	453.543	2.901	50	10		JFCARM
O=C(C[C@@H](c1ccc(F)cc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218325683	569883213	/nfs/dbraw/zinc/88/32/13/569883213.db2.gz	FTEXRCPJDUXTRD-SFHVURJKSA-N	-1	0	463.465	2.831	50	10		JFCARM
CSCC[C@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)C(=O)OC(C)(C)C	ZINC000001879298	194151904	/nfs/dbraw/zinc/15/19/04/194151904.db2.gz	DCHVZOHFSKBYSQ-GOFCXVBSSA-N	-1	0	498.399	2.969	50	10		JFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000009438742	194783922	/nfs/dbraw/zinc/78/39/22/194783922.db2.gz	NLWMVNAQZHQONX-SFQUDFHCSA-N	-1	0	496.321	2.826	50	10		JFCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000016488276	527081841	/nfs/dbraw/zinc/08/18/41/527081841.db2.gz	MQULMYFHPSAFAM-SAPNQHFASA-N	-1	0	465.443	2.824	50	10		JFCARM
COC(=O)COc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000009311454	555087773	/nfs/dbraw/zinc/08/77/73/555087773.db2.gz	HMJMYKSRBNPITH-GDNBJRDFSA-N	-1	0	475.320	2.832	50	10		JFCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000013548322	555490281	/nfs/dbraw/zinc/49/02/81/555490281.db2.gz	DNZDKMDEVPIXMB-PTNGSMBKSA-N	-1	0	462.325	2.710	50	10		JFCARM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000012561191	556054089	/nfs/dbraw/zinc/05/40/89/556054089.db2.gz	HSWUTPWPAPPSRZ-UHFFFAOYSA-N	-1	0	478.552	2.789	50	10		JFCARM
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=N)N21	ZINC000032961228	556577487	/nfs/dbraw/zinc/57/74/87/556577487.db2.gz	XQKYJYJWXUMQJN-HJDDMPKESA-N	-1	0	458.477	2.656	50	10		JFCARM
COC(=O)C[C@@H](c1cnn(C)c1C)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096115701	569734581	/nfs/dbraw/zinc/73/45/81/569734581.db2.gz	ZPRXNRKIZZPYRH-LBPRGKRZSA-N	-1	0	482.445	2.725	50	10	biogenic	JFCARM
CCOc1ccc(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)cc1	ZINC000100790038	569770006	/nfs/dbraw/zinc/77/00/06/569770006.db2.gz	LYYRIKBASKHCNG-XMHGGMMESA-N	-1	0	477.546	2.627	50	10		JFCARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=CC3C(=O)OC4(CCCCC4)OC3=O)cc2)n1	ZINC000101268505	569788577	/nfs/dbraw/zinc/78/85/77/569788577.db2.gz	RRUCQFKRMIZIIB-UHFFFAOYSA-N	-1	0	472.523	2.950	50	10		JFCARM
CCN(CC)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2C(C)=O)cc1	ZINC000101456246	569798076	/nfs/dbraw/zinc/79/80/76/569798076.db2.gz	FNPQDPSJUYFGAJ-NRFANRHFSA-N	-1	0	491.548	2.784	50	10		JFCARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000041091532	569837579	/nfs/dbraw/zinc/83/75/79/569837579.db2.gz	UIHVEIHIPREPKA-QFIPXVFZSA-N	-1	0	474.494	2.918	50	10		JFCARM
[O-]c1c(I)cc(I)cc1CN1CCC(O)CC1	ZINC000205258565	569874038	/nfs/dbraw/zinc/87/40/38/569874038.db2.gz	STGNZBFMQZOSET-UHFFFAOYSA-N	-1	0	459.065	2.558	50	10		JFCARM
O=C(C[C@@H](c1ccc(F)c(F)c1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218242102	569883144	/nfs/dbraw/zinc/88/31/44/569883144.db2.gz	KCSNTUVVRXMTHS-INIZCTEOSA-N	-1	0	481.455	2.970	50	10		JFCARM
Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cc(Br)ccc2O)[NH2+][C@]3(C)C(=O)[O-])c1	ZINC000230005278	570043347	/nfs/dbraw/zinc/04/33/47/570043347.db2.gz	MSTLQCTUYIPCSA-IAGYGMIVSA-N	-1	0	459.296	2.757	50	10		JFCARM
CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000001877194	194151951	/nfs/dbraw/zinc/15/19/51/194151951.db2.gz	MCUGPGDQZWWREZ-PTNGSMBKSA-N	-1	0	460.581	2.915	50	10		JFCARM
O=C([O-])CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	ZINC000003640302	194346886	/nfs/dbraw/zinc/34/68/86/194346886.db2.gz	WYRWIZUSWGLKCX-ZCXUNETKSA-N	-1	0	487.946	2.981	50	10		JFCARM
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)N1CCCC1	ZINC000009907401	195018109	/nfs/dbraw/zinc/01/81/09/195018109.db2.gz	VWVRDGDAZDAVPU-ATVHPVEESA-N	-1	0	464.565	2.762	50	10		JFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc(I)c1O	ZINC000016672105	521945682	/nfs/dbraw/zinc/94/56/82/521945682.db2.gz	IRUPQIDLERZMKO-QPEQYQDCSA-N	-1	0	450.232	2.775	50	10		JFCARM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000002448089	554215246	/nfs/dbraw/zinc/21/52/46/554215246.db2.gz	NTRODLQKQZVLMK-WPNIOXTASA-N	-1	0	466.881	2.662	50	10		JFCARM
COc1ccc(N2CCN(C(=O)CCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)cc1	ZINC000004004019	554472244	/nfs/dbraw/zinc/47/22/44/554472244.db2.gz	NCBRBIQEMZAFTQ-UHFFFAOYSA-N	-1	0	482.562	2.925	50	10		JFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	ZINC000008436960	554588047	/nfs/dbraw/zinc/58/80/47/554588047.db2.gz	BKADBUAZSAZZEE-XNTDXEJSSA-N	-1	0	476.283	2.554	50	10		JFCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC	ZINC000008819435	554704810	/nfs/dbraw/zinc/70/48/10/554704810.db2.gz	JXYNHZQFPPPJLQ-IUXPMGMMSA-N	-1	0	474.516	2.948	50	10		JFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOCCOc1ccc(C)cc1	ZINC000009310290	555085879	/nfs/dbraw/zinc/08/58/79/555085879.db2.gz	BJFVRQJYPKUTQK-UHFFFAOYSA-N	-1	0	454.479	2.618	50	10		JFCARM
COc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(I)c1OC	ZINC000009601172	555425449	/nfs/dbraw/zinc/42/54/49/555425449.db2.gz	OAMIBAAUVFUKGT-XFFZJAGNSA-N	-1	0	479.317	2.984	50	10		JFCARM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Br)c4)C3=O)o2)cc1	ZINC000020035162	555609440	/nfs/dbraw/zinc/60/94/40/555609440.db2.gz	GJCCZGMWPGJVRZ-BOPFTXTBSA-N	-1	0	488.319	2.818	50	10		JFCARM
O=C1NC(=S)NC(=O)C1=Cc1c(Br)cc(Br)c([O-])c1Br	ZINC000015015422	555855883	/nfs/dbraw/zinc/85/58/83/555855883.db2.gz	JSQKJBUDMZOIFD-UHFFFAOYSA-N	-1	0	484.951	2.594	50	10		JFCARM
Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(=O)[O-])C3=O)c3ccccc32)c1	ZINC000015227189	555887306	/nfs/dbraw/zinc/88/73/06/555887306.db2.gz	XKCXKEBZTDNOFH-HNENSFHCSA-N	-1	0	467.528	2.636	50	10		JFCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1O	ZINC000015837464	556021036	/nfs/dbraw/zinc/02/10/36/556021036.db2.gz	JCZPMAKEBAWKKB-NTUHNPAUSA-N	-1	0	494.241	2.768	50	10		JFCARM
COC(=O)C[C@H]1C(=O)NCCN1Cc1c([O-])c(C(=O)Nc2ccccc2C)cc2ccccc21	ZINC000012914002	556133022	/nfs/dbraw/zinc/13/30/22/556133022.db2.gz	ZDLMXEIRCBCUHW-QFIPXVFZSA-N	-1	0	461.518	2.970	50	10		JFCARM
CCN(CC)S(=O)(=O)c1ccc(NC)c([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000019079617	556330143	/nfs/dbraw/zinc/33/01/43/556330143.db2.gz	DUSPSNRODCXSTG-UHFFFAOYSA-N	-1	0	455.587	2.564	50	10		JFCARM
CCOc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1S(=O)(=O)N(CC)CC	ZINC000019110027	556330519	/nfs/dbraw/zinc/33/05/19/556330519.db2.gz	RBHVLRBUAPHAGA-UHFFFAOYSA-N	-1	0	470.598	2.921	50	10		JFCARM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000101109084	569783156	/nfs/dbraw/zinc/78/31/56/569783156.db2.gz	GWJAOQAKPSEVCV-YMFQVDJJSA-N	-1	0	460.490	2.625	50	10		JFCARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	ZINC000101212247	569787136	/nfs/dbraw/zinc/78/71/36/569787136.db2.gz	ASAGVDYNLBSSET-RVDMUPIBSA-N	-1	0	490.310	2.731	50	10		JFCARM
Cn1c2cc([N-]S(=O)(=O)c3cccc4nsnc43)c(Oc3ccccc3)cc2n(C)c(=O)c1=O	ZINC000102512946	569813763	/nfs/dbraw/zinc/81/37/63/569813763.db2.gz	RJLUOQYYPUEEKI-UHFFFAOYSA-N	-1	0	495.542	2.835	50	10		JFCARM
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000040221157	569823169	/nfs/dbraw/zinc/82/31/69/569823169.db2.gz	JLZHTDDCYDADCR-GDNBJRDFSA-N	-1	0	469.500	2.781	50	10		JFCARM
O=C([O-])CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S	ZINC000001818218	194145651	/nfs/dbraw/zinc/14/56/51/194145651.db2.gz	BLCGWHXFRDSNIK-HNENSFHCSA-N	-1	0	485.518	2.857	50	10		JFCARM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000002379437	194160368	/nfs/dbraw/zinc/16/03/68/194160368.db2.gz	DCTLBZAGFTUKRX-XYSGSMRZSA-N	-1	0	466.881	2.662	50	10		JFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002948352	194176553	/nfs/dbraw/zinc/17/65/53/194176553.db2.gz	HJRPQDUCRGBRJM-GHRIWEEISA-N	-1	0	495.469	2.833	50	10		JFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1	ZINC000002977971	194191960	/nfs/dbraw/zinc/19/19/60/194191960.db2.gz	FSZNYGHXTVAVLV-UHFFFAOYSA-N	-1	0	460.870	2.955	50	10		JFCARM
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(=O)n2c1	ZINC000009291661	194667012	/nfs/dbraw/zinc/66/70/12/194667012.db2.gz	TVADOXLWOMZGME-WJDWOHSUSA-N	-1	0	490.607	2.906	50	10		JFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1O	ZINC000001192704	521962658	/nfs/dbraw/zinc/96/26/58/521962658.db2.gz	IUCHPHLBDGELLD-NTUHNPAUSA-N	-1	0	478.242	2.980	50	10		JFCARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1	ZINC000001177613	522078620	/nfs/dbraw/zinc/07/86/20/522078620.db2.gz	UFBZABNKPBYCKS-NTUHNPAUSA-N	-1	0	475.251	2.616	50	10		JFCARM
COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)[O-])C3=O)c3ccccc32)cc1	ZINC000013800566	524490379	/nfs/dbraw/zinc/49/03/79/524490379.db2.gz	GLOYXUFQPRVFGC-VXPUYCOJSA-N	-1	0	497.554	2.727	50	10		JFCARM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	ZINC000002169507	526234315	/nfs/dbraw/zinc/23/43/15/526234315.db2.gz	UVRYZPWQSUEWDD-WOJGMQOQSA-N	-1	0	456.476	2.848	50	10		JFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1cccc(F)c1	ZINC000001177960	553927122	/nfs/dbraw/zinc/92/71/22/553927122.db2.gz	WZIZVPKPTLHHFN-UHFFFAOYSA-N	-1	0	496.232	2.767	50	10		JFCARM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000002369728	554169702	/nfs/dbraw/zinc/16/97/02/554169702.db2.gz	PQNDGUIJNFNJGV-NKAIQICCSA-N	-1	0	466.881	2.662	50	10		JFCARM
CSCC[C@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC(C)(C)C	ZINC000002589335	554238450	/nfs/dbraw/zinc/23/84/50/554238450.db2.gz	INDSEMYXMYTXGY-GOFCXVBSSA-N	-1	0	453.948	2.860	50	10		JFCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000002740027	554320984	/nfs/dbraw/zinc/32/09/84/554320984.db2.gz	IRWAFVFXXNFFAT-BOPFTXTBSA-N	-1	0	460.833	2.761	50	10		JFCARM
CCOc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)C(=O)[N-]C2=S)c1	ZINC000006573622	554551712	/nfs/dbraw/zinc/55/17/12/554551712.db2.gz	OFRNRSWVEHNVBU-NVNXTCNLSA-N	-1	0	457.464	2.842	50	10		JFCARM
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000009461409	555229064	/nfs/dbraw/zinc/22/90/64/555229064.db2.gz	DEIMMTJXRPJHPP-QINSGFPZSA-N	-1	0	476.580	2.597	50	10		JFCARM
Cc1oc2c(ccc([O-])c2CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=O)c1-c1ccccc1	ZINC000022095217	555873556	/nfs/dbraw/zinc/87/35/56/555873556.db2.gz	HJPCNQDJMOMWJE-IBGZPJMESA-N	-1	0	468.575	2.779	50	10		JFCARM
COc1ccc(N2CCN(C(=O)c3cncc([N-]S(=O)(=O)c4ccccc4)c3)CC2)cc1	ZINC000015778594	555997601	/nfs/dbraw/zinc/99/76/01/555997601.db2.gz	AQMKFCMTGZSUSJ-UHFFFAOYSA-N	-1	0	452.536	2.853	50	10		JFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1O	ZINC000015837100	556020919	/nfs/dbraw/zinc/02/09/19/556020919.db2.gz	BVCZQKFHKHPJCJ-POHAHGRESA-N	-1	0	482.205	2.811	50	10		JFCARM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	ZINC000017167190	556230425	/nfs/dbraw/zinc/23/04/25/556230425.db2.gz	GQJCCNVURBPMOO-WQRHYEAKSA-N	-1	0	456.476	2.848	50	10		JFCARM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1O	ZINC000017299783	556253397	/nfs/dbraw/zinc/25/33/97/556253397.db2.gz	IBRPGHOMXAUXRG-GHXNOFRVSA-N	-1	0	480.283	2.837	50	10		JFCARM
CN(C)c1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)[O-])cc1	ZINC000057015401	569593933	/nfs/dbraw/zinc/59/39/33/569593933.db2.gz	QDYOJICBTRNQMT-FQEVSTJZSA-N	-1	0	458.540	2.667	50	10		JFCARM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1	ZINC000035241702	569678721	/nfs/dbraw/zinc/67/87/21/569678721.db2.gz	NJGOVQSIGUTPDI-YVLHZVERSA-N	-1	0	458.517	2.999	50	10		JFCARM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000100423684	569760136	/nfs/dbraw/zinc/76/01/36/569760136.db2.gz	FQFALBXQQJGIAV-STZFKDTASA-N	-1	0	465.462	2.912	50	10		JFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1	ZINC000101471661	569798927	/nfs/dbraw/zinc/79/89/27/569798927.db2.gz	ZDFKFTUXESALEJ-HMMYKYKNSA-N	-1	0	468.535	2.748	50	10		JFCARM
O=C(C[C@H](c1ccc2nccnc2c1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000218142703	569882955	/nfs/dbraw/zinc/88/29/55/569882955.db2.gz	OTTDJKIVHNSACF-GOSISDBHSA-N	-1	0	497.511	2.635	50	10		JFCARM