smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@](C)(O)CO)[C@@H]12	ZINC000040866501	203781307	/nfs/dbraw/zinc/78/13/07/203781307.db2.gz	NPBDPFOGSVKPOK-NTOJFBDHSA-N	0	0	364.394	0.252	1	30		FCEFRN
COC(=O)CC[C@@H](NC(=S)N/N=C(\C)c1cnccn1)C(=O)OC	ZINC000005811871	204226095	/nfs/dbraw/zinc/22/60/95/204226095.db2.gz	NJQBUVLSYIKCIY-SVXRXWARSA-N	0	0	353.404	0.160	1	30		FCEFRN
CC[C@@H](c1ccccc1)n1c(=O)n2n(c1=O)[C@H]1[C@H](O)[C@H]3O[C@H]3C(=O)[C@H]1CC2	ZINC000007998750	204314566	/nfs/dbraw/zinc/31/45/66/204314566.db2.gz	ZZNRUFFGBBRPQF-KLSOQEMKSA-N	0	0	371.393	0.083	1	30		FCEFRN
CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(CO)=C\[C@H]3OC(=O)[C@@H]1[C@H]32	ZINC000028465913	204882013	/nfs/dbraw/zinc/88/20/13/204882013.db2.gz	GULGAMRPPWWFSQ-JTLNOAFJSA-N	0	0	364.394	0.842	1	30		FCEFRN
O=C(NO)[C@@H]1CC2(CN1S(=O)(=O)c1ccccc1)OCCCCO2	ZINC000040429348	205070780	/nfs/dbraw/zinc/07/07/80/205070780.db2.gz	BBFVUFQMJUEVEV-ZDUSSCGKSA-N	0	0	356.400	0.478	1	30		FCEFRN
CC(C)CS(=O)(=O)C[C@H](NC(=O)c1cccs1)C(=O)NCC#N	ZINC000095578854	205789929	/nfs/dbraw/zinc/78/99/29/205789929.db2.gz	ATSAUOXACLHIAU-NSHDSACASA-N	0	0	357.457	0.557	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O	ZINC000169313023	206250026	/nfs/dbraw/zinc/25/00/26/206250026.db2.gz	LHHUTHDDJUCFLY-NDPAXDDUSA-N	0	0	366.454	0.008	1	30		FCEFRN
CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@@H]1[C@@]2(C)[C@@H]1O[C@@H]1[C@@H]3O	ZINC000169344172	206253860	/nfs/dbraw/zinc/25/38/60/206253860.db2.gz	DGNOPGIIPQKNHD-XZFGVGGWSA-N	0	0	362.378	0.758	1	30		FCEFRN
O=C1c2c(O)ccc(O)c2C(=O)C(NCCN2CCOCC2)=C1Cl	ZINC000102943090	222314561	/nfs/dbraw/zinc/31/45/61/222314561.db2.gz	DOEGSNICLXZYNS-UHFFFAOYSA-N	0	0	352.774	0.849	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014487718	571710074	/nfs/dbraw/zinc/71/00/74/571710074.db2.gz	NYLNHNDMNOPWAZ-BQIQRRMMSA-N	0	0	372.458	0.533	1	30	endogenous,in-man	FCEFRN
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000049019773	205167272	/nfs/dbraw/zinc/16/72/72/205167272.db2.gz	BQPLGKSFJPHSSG-STQMWFEESA-N	0	0	369.512	0.367	1	30		FCEFRN
COC(=O)c1c(CC#N)ncn1[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000169324365	206250151	/nfs/dbraw/zinc/25/01/51/206250151.db2.gz	YLYDNMUAMJXTDQ-VDKKZXSFSA-N	0	0	365.342	0.516	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CC[C@@H](O)[C@](C)(CO)[C@H]1C[C@H]3O	ZINC000169313024	206250948	/nfs/dbraw/zinc/25/09/48/206250948.db2.gz	INCMDIJYMIPCKW-CQPSFOOVSA-N	0	0	366.454	0.010	1	30		FCEFRN
CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(CO)=C\[C@H]3OC(=O)[C@@H]1[C@H]32	ZINC000195130278	206330956	/nfs/dbraw/zinc/33/09/56/206330956.db2.gz	GULGAMRPPWWFSQ-URYLSVMCSA-N	0	0	364.394	0.842	1	30		FCEFRN
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=N/OCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000048998296	581100367	/nfs/dbraw/zinc/10/03/67/581100367.db2.gz	IJZVRNLYGCRZES-VNDFZWOESA-N	0	0	370.369	0.230	1	30		FCEFRN
CNC1=[NH+]CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@H](O)C(C(=O)[O-])=C3C[C@@H]2[C@@]4(C)CN1	ZINC000085548977	291029460	/nfs/dbraw/zinc/02/94/60/291029460.db2.gz	VIFCNOBDTDIUQZ-XUAUONFWSA-N	0	0	357.454	0.983	1	30	biogenic,in-vitro	FCEFRN
COC(=O)CC[C@@H](NC(=S)N/N=C(\C)c1nccs1)C(=O)OC	ZINC000005811896	204226200	/nfs/dbraw/zinc/22/62/00/204226200.db2.gz	WTYFQCKQWGBDMD-PTPOTIKZSA-N	0	0	358.445	0.826	1	30		FCEFRN
C=CC[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000036441785	204361003	/nfs/dbraw/zinc/36/10/03/204361003.db2.gz	LJLBJVZTDBJHTM-DMRKSPOLSA-N	0	0	372.370	0.688	1	30		FCEFRN
C[C@@H]1CC(=O)C2=C([C@@H]3O[C@@H]3[C@]3(O)C2=C(O)c2cccc(O)c2[C@@H]3O)[C@H]1O	ZINC000029042206	204893608	/nfs/dbraw/zinc/89/36/08/204893608.db2.gz	BTQRYNYWJXULFC-UNRXRXNPSA-N	0	0	358.346	0.017	1	30		FCEFRN
C/C=C\[C@H](C)[C@@H]1O[C@]1(C)[C@@H](O)[C@@H](CO)C(=O)[C@@H](CO)[C@@H](O)CC(=O)CC	ZINC000040891867	205084106	/nfs/dbraw/zinc/08/41/06/205084106.db2.gz	SEOOELCVWMBGMD-MYFXUMFZSA-N	0	0	372.458	0.233	1	30		FCEFRN
CCCCNOS(=O)(=O)N1C[C@H](NC(=O)Cc2ccccc2)C1=O	ZINC000040676667	205076190	/nfs/dbraw/zinc/07/61/90/205076190.db2.gz	DRVHHYJXWCMQLN-ZDUSSCGKSA-N	0	0	355.416	0.122	1	30		FCEFRN
CCCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)[C@@H]([C@H]1O)[C@H](O)[C@@H]1O[C@@H]12	ZINC000043606123	205103824	/nfs/dbraw/zinc/10/38/24/205103824.db2.gz	RPNMQCNKXLDNIP-NONCFBCESA-N	0	0	367.442	0.211	1	30		FCEFRN
N[C@@H](C(=O)NO)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000052971611	205188308	/nfs/dbraw/zinc/18/83/08/205188308.db2.gz	MBFCDOYJDGSBOG-KRWDZBQOSA-N	0	0	368.437	0.753	1	30		FCEFRN
CC(C)CS(=O)(=O)C[C@@H](NC(=O)c1cccs1)C(=O)NCC#N	ZINC000095578855	205790831	/nfs/dbraw/zinc/79/08/31/205790831.db2.gz	ATSAUOXACLHIAU-LLVKDONJSA-N	0	0	357.457	0.557	1	30		FCEFRN
C=C(C)C[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1	ZINC000103177893	222323010	/nfs/dbraw/zinc/32/30/10/222323010.db2.gz	MKUUESGPQZQMQI-NSHDSACASA-N	0	0	358.420	0.870	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014487720	571709998	/nfs/dbraw/zinc/70/99/98/571709998.db2.gz	NYLNHNDMNOPWAZ-ILSIWBRMSA-N	0	0	372.458	0.533	1	30	endogenous,in-man	FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1[C@@H](O)C(=O)[C@H]2[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O	ZINC000095913414	291025689	/nfs/dbraw/zinc/02/56/89/291025689.db2.gz	YSIQZGSHAOVHTQ-OMNYJYFXSA-N	0	0	362.422	0.425	1	30	biogenic,in-vitro	FCEFRN
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@@H](O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]12	ZINC000095912054	291028877	/nfs/dbraw/zinc/02/88/77/291028877.db2.gz	CUGAWYNVYRXBFW-RFDIVBKASA-N	0	0	350.411	0.438	1	30	biogenic,in-vitro	FCEFRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CO[C@@H](CNC=[NH2+])C3)[C@H](C)[C@H]12	ZINC000026831897	204855557	/nfs/dbraw/zinc/85/55/57/204855557.db2.gz	WSVFZKMFONMQNW-ZZLGJBLRSA-N	0	0	369.443	0.018	1	30		FCEFRN
O=C1N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C(=O)N1CCCO	ZINC000028119281	204874348	/nfs/dbraw/zinc/87/43/48/204874348.db2.gz	HTBZBKZNBYFXTB-KRWDZBQOSA-N	0	0	358.375	0.740	1	30		FCEFRN
C/C=C/C(=O)OCC1=C[C@@H](O)[C@@H]2O[C@@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O	ZINC000169363780	206254142	/nfs/dbraw/zinc/25/41/42/206254142.db2.gz	VXLCROMNFCPICL-BAIKCVPLSA-N	0	0	356.371	0.485	1	30		FCEFRN
C/C=C\C#CC#CCCCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1O	ZINC000059587878	291025169	/nfs/dbraw/zinc/02/51/69/291025169.db2.gz	DWCYZAGYVGTNEU-PYUPSREBSA-N	0	0	350.411	0.964	1	30	biogenic,in-vitro	FCEFRN
C=CCOc1ccc(/C=C(\C)C(=O)N[C@H]2[C@@H](O)CC[C@H](O)[C@H]2O)cc1O	ZINC000025994230	203867481	/nfs/dbraw/zinc/86/74/81/203867481.db2.gz	ZJCLZYGJIDYEFE-KPAUDQSISA-N	0	0	363.410	0.722	1	30		FCEFRN
C[C@H]1C=C(OC(=O)c2ccccc2)C(=O)[C@@H](n2cc(F)c(=O)[nH]c2=O)O1	ZINC000001620057	204015201	/nfs/dbraw/zinc/01/52/01/204015201.db2.gz	HTDAJLUMYZCQFP-VFZGTOFNSA-N	0	0	360.297	0.903	1	30		FCEFRN
CC(C)=CCNc1ncnc2c1c(C#N)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000003954438	204116304	/nfs/dbraw/zinc/11/63/04/204116304.db2.gz	TXNNQVGUHWYSSM-CVGURMSBSA-N	0	0	359.386	0.293	1	30		FCEFRN
CS(=O)(=O)CCCNC(=O)[C@H]1CCCCCC[C@@H](CS)C(=O)N1	ZINC000027299354	204861448	/nfs/dbraw/zinc/86/14/48/204861448.db2.gz	PDFZPNXNXKKFPO-QWHCGFSZSA-N	0	0	364.533	0.922	1	30		FCEFRN
O=C1CN(CCCO)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1	ZINC000040424146	205070482	/nfs/dbraw/zinc/07/04/82/205070482.db2.gz	PYCOHJYTXABBEZ-SFHVURJKSA-N	0	0	372.402	0.146	1	30		FCEFRN
CCCCCCCCC#Cc1cn(COC(CO)CO)c(=O)[nH]c1=O	ZINC000043587304	205103804	/nfs/dbraw/zinc/10/38/04/205103804.db2.gz	DNAYLBZSZDEEFT-UHFFFAOYSA-N	0	0	352.431	0.966	1	30		FCEFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS)C(N)=O	ZINC000049089438	205168273	/nfs/dbraw/zinc/16/82/73/205168273.db2.gz	TVAXAXOWLJJGBA-KBPBESRZSA-N	0	0	367.471	0.366	1	30		FCEFRN
COC(=O)C1=C(C)N[C@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132	ZINC000195476529	206331984	/nfs/dbraw/zinc/33/19/84/206331984.db2.gz	IONGZAQGFHKQGK-JVPBZIDWSA-N	0	0	368.345	0.040	1	30		FCEFRN
O=S(=O)(N/N=C/c1cc(N2CCOCC2)cc[n+]1[O-])c1ccccc1	ZINC000169319645	132261371	/nfs/dbraw/zinc/26/13/71/132261371.db2.gz	BEJWUDIVXAHIKP-GHRIWEEISA-N	0	0	362.411	0.469	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014587625	574413521	/nfs/dbraw/zinc/41/35/21/574413521.db2.gz	SZOPSAFLRCYJCX-PKZJRLODSA-N	0	0	370.442	0.309	1	30	endogenous,in-man	FCEFRN
C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)CO1)C[C@H](C)[C@]1(O)C=CC(=O)[C@@]21C	ZINC000095911339	291025714	/nfs/dbraw/zinc/02/57/14/291025714.db2.gz	NQAMSXWIOGXAEZ-LSKMJPFRSA-N	0	0	362.378	0.701	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]25[C@H]3[C@@H](O)C[C@@H]14	ZINC000103561704	291025969	/nfs/dbraw/zinc/02/59/69/291025969.db2.gz	GSRZMSWBSLHHAD-FEHKCHBNSA-N	0	0	362.422	0.740	1	30	biogenic,in-vitro	FCEFRN
C[C@@H]1C=C(OC(=O)c2ccccc2)C(=O)[C@@H](n2cc(F)c(=O)[nH]c2=O)O1	ZINC000001620058	204015412	/nfs/dbraw/zinc/01/54/12/204015412.db2.gz	HTDAJLUMYZCQFP-PSLIRLAXSA-N	0	0	360.297	0.903	1	30		FCEFRN
CCOC(=O)N1CCN(C(=S)N/N=C(\C)c2cccc[n+]2[O-])CC1	ZINC000028009602	204873545	/nfs/dbraw/zinc/87/35/45/204873545.db2.gz	SHIMXOOQFYXJFT-FOWTUZBSSA-N	0	0	351.432	0.693	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1[C@@H](O)C[C@H]2[C@@]1(CO)[C@H](C[C@H]3O)C(C)(C)CC[C@@H]1O	ZINC000040897180	205084102	/nfs/dbraw/zinc/08/41/02/205084102.db2.gz	NKQVWQVQOKOKNW-WEMBNSTNSA-N	0	0	366.454	0.010	1	30	biogenic,in-vitro	FCEFRN
C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](CC2)[C@]12CC[C@H](O)[C@@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2	ZINC000095913443	291026754	/nfs/dbraw/zinc/02/67/54/291026754.db2.gz	CFRRIIVIVFLEEZ-VGEOWELYSA-N	0	0	366.454	0.169	1	30	biogenic,in-vitro	FCEFRN
COC1=CC(=O)c2c(cc(CO[P@](N)(=O)N3CCOCC3)n2C)C1=O	ZINC000029329689	204898253	/nfs/dbraw/zinc/89/82/53/204898253.db2.gz	CASFAWYIRGWZRI-VWLOTQADSA-N	0	0	369.314	0.850	1	30		FCEFRN
NS(=O)(=O)c1ccc(N[C@H](c2ccccc2)[C@@H](O)C(=O)NO)cc1	ZINC000040472021	205072335	/nfs/dbraw/zinc/07/23/35/205072335.db2.gz	KZKPSRPSDIEHOI-ZIAGYGMSSA-N	0	0	351.384	0.354	1	30		FCEFRN
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CS	ZINC000049089683	205168629	/nfs/dbraw/zinc/16/86/29/205168629.db2.gz	ILAXZFFJHBMULI-GJZGRUSLSA-N	0	0	374.466	0.601	1	30		FCEFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)NC4)C2=O	ZINC000064503673	205298965	/nfs/dbraw/zinc/29/89/65/205298965.db2.gz	LUTDZINYVFDPIQ-ZHGGVEMFSA-N	0	0	357.406	0.884	1	30		FCEFRN
O=C1/C(=N\NC(=S)NO)c2cc(F)ccc2N1CN1CCOCC1	ZINC000066079663	205362981	/nfs/dbraw/zinc/36/29/81/205362981.db2.gz	KVMAWLWMLLRLAJ-VBKFSLOCSA-N	0	0	353.379	0.019	1	30		FCEFRN
CC(C)(C)C(=O)N1CCC(N(N)CC(=O)N2CSC[C@H]2C#N)CC1	ZINC000096315961	205872296	/nfs/dbraw/zinc/87/22/96/205872296.db2.gz	PSDWZICXZVKCIT-CYBMUJFWSA-N	0	0	353.492	0.624	1	30		FCEFRN
CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(CO)=C\[C@H]3OC(=O)[C@H]1[C@@H]32	ZINC000169360161	206252931	/nfs/dbraw/zinc/25/29/31/206252931.db2.gz	GULGAMRPPWWFSQ-LPISTVLRSA-N	0	0	364.394	0.842	1	30		FCEFRN
C#CCN1C(=O)COc2cc(F)c(-n3nnc4c(cnn4C)c3=O)cc21	ZINC000098082561	533145175	/nfs/dbraw/zinc/14/51/75/533145175.db2.gz	DAGYZQDIDXROJC-UHFFFAOYSA-N	0	0	354.301	0.012	1	30		FCEFRN
C=C[C@@H](C)[C@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1	ZINC000103188886	222323154	/nfs/dbraw/zinc/32/31/54/222323154.db2.gz	HJNOLMVUCYCMDN-GHMZBOCLSA-N	0	0	358.420	0.725	1	30		FCEFRN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=N/OCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000013762058	581100337	/nfs/dbraw/zinc/10/03/37/581100337.db2.gz	IJZVRNLYGCRZES-LKCJKRFLSA-N	0	0	370.369	0.230	1	30		FCEFRN
O=C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2S(=O)(=O)N1	ZINC000025986160	204843827	/nfs/dbraw/zinc/84/38/27/204843827.db2.gz	UCUYHDVVFOFHMO-HOTGVXAUSA-N	0	0	358.419	0.816	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/[C@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014587626	574413523	/nfs/dbraw/zinc/41/35/23/574413523.db2.gz	SZOPSAFLRCYJCX-NGKORENFSA-N	0	0	370.442	0.309	1	30	endogenous,in-man	FCEFRN
CC=CC=CC(=O)C1C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1OC(=O)C[C@]12CO	ZINC000101562534	209227134	/nfs/dbraw/zinc/22/71/34/209227134.db2.gz	XFMFIGWGIQJRSI-OVVPEMQWSA-N	0	0	362.378	0.764	1	30		FCEFRN
COC(=O)CC[C@H](NC(=S)N/N=C(\C)c1cnccn1)C(=O)OC	ZINC000005811867	207118225	/nfs/dbraw/zinc/11/82/25/207118225.db2.gz	NJQBUVLSYIKCIY-NTOSSWPYSA-N	0	0	353.404	0.160	1	30		FCEFRN
CCCCCCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O	ZINC000043587233	208308024	/nfs/dbraw/zinc/30/80/24/208308024.db2.gz	RLRJEFPGPAMEHB-PNBKFKSVSA-N	0	0	370.446	0.290	1	30		FCEFRN
COC(=O)[C@@]1(O)C(c2ccc(O)cc2)=C(O)C(=O)[C@@]1(O)c1ccc(O)cc1	ZINC000095562764	209080808	/nfs/dbraw/zinc/08/08/08/209080808.db2.gz	IRFBODXJISNYDS-OALUTQOASA-N	0	0	372.329	0.742	1	30		FCEFRN
CC(=O)N1CCC(c2ccc(C(=O)N=C(N)N)cc2S(C)(=O)=O)CC1	ZINC000095556711	209081211	/nfs/dbraw/zinc/08/12/11/209081211.db2.gz	NIPIPCPRDLMPNU-UHFFFAOYSA-N	0	0	366.443	0.230	1	30		FCEFRN
CCCCCCCCOCCCCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000095588625	209083591	/nfs/dbraw/zinc/08/35/91/209083591.db2.gz	QVLSQRHHQASRJV-ICUGJSFKSA-N	0	0	364.479	0.960	1	30		FCEFRN
C=C1[C@H]2C[C@@]3(C(=O)[C@@H](O)[C@@H]4C(C)(C)[C@@]5(O)CC(=O)[C@@]4(CO5)[C@@H]3CC2)[C@@H]1O	ZINC000095912757	291027244	/nfs/dbraw/zinc/02/72/44/291027244.db2.gz	OJORPACOTBFNGQ-VXZIRWGKSA-N	0	0	362.422	0.584	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)CO1)CC(=C)[C@@H]1C[C@H](O)[C@@]3(CO3)[C@@H]12	ZINC000033833511	291026759	/nfs/dbraw/zinc/02/67/59/291026759.db2.gz	HQZJODBJOBTCPI-FWZIYDMOSA-N	0	0	362.378	0.511	1	30	biogenic,in-vitro	FCEFRN
CC1(C)[C@H]2O[C@H]2[C@H]2[C@]1(O)[C@H](O)[C@@H](O)[C@@]13C[C@@H](CC[C@H]1[C@@]2(C)O)[C@](C)(O)C3	ZINC000085511810	291028530	/nfs/dbraw/zinc/02/85/30/291028530.db2.gz	PEPXNJLMNKYXFN-IUYRUNGHSA-N	0	0	368.470	0.185	1	30	biogenic,in-vitro	FCEFRN
CC1=CC(=O)CC(C)(C)/C1=C\C[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000103271339	209250572	/nfs/dbraw/zinc/25/05/72/209250572.db2.gz	QPBOUUUYBCDTKI-UILHNRJDSA-N	0	0	370.442	0.453	1	30		FCEFRN
NC(=O)OCC=C1C(=O)C(N2CC2)=C(Br)C(=O)C1N1CC1	ZINC000100970810	209220103	/nfs/dbraw/zinc/22/01/03/209220103.db2.gz	YYSNCOVRWLBFEW-UHFFFAOYSA-N	0	0	356.176	0.115	1	30		FCEFRN
O=C1C=C2S[C@H]3C[C@]24C2=C5c6c(c[nH]c6C(=O)C2=N3)CCN5[C@H]1[C@@H]4O	ZINC000058535134	206785416	/nfs/dbraw/zinc/78/54/16/206785416.db2.gz	QJMJSLBHDYZDDN-JRXCTEAYSA-O	0	0	352.395	0.085	1	30		FCEFRN
C#CCN1C(=O)COc2cc(F)c(-n3nnc4c(c(C)nn4C)c3=O)cc21	ZINC000098084513	533144811	/nfs/dbraw/zinc/14/48/11/533144811.db2.gz	WMYOBQOUBFOEJB-UHFFFAOYSA-N	0	0	368.328	0.320	1	30		FCEFRN
C[C@@](CCn1cc(-c2cccc(F)c2F)nn1)(C(=O)NO)S(C)(=O)=O	ZINC000095553681	209079246	/nfs/dbraw/zinc/07/92/46/209079246.db2.gz	XCJCGAILNBTULO-CQSZACIVSA-N	0	0	374.369	0.922	1	30		FCEFRN
COC(=O)[C@]1(O)C(c2ccc(O)cc2)=C(O)C(=O)[C@]1(O)c1ccc(O)cc1	ZINC000095563819	209080813	/nfs/dbraw/zinc/08/08/13/209080813.db2.gz	IRFBODXJISNYDS-RTBURBONSA-N	0	0	372.329	0.742	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]1(CO)[C@@H](O)CC[C@](C)(C=O)[C@H]1C[C@H]3O	ZINC000039054088	291025952	/nfs/dbraw/zinc/02/59/52/291025952.db2.gz	JNCNFZJCIOPIJA-GFPDKIFBSA-N	0	0	364.438	0.218	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)[C@@]23[C@H](O)[C@H]1C[C@@]1(O)OC[C@]4(CCC[C@](C)(C=O)[C@H]4C[C@H]2O)[C@H]13	ZINC000095914209	291026755	/nfs/dbraw/zinc/02/67/55/291026755.db2.gz	NKDRBUKCHKPTOC-ZLTZDVGSSA-N	0	0	362.422	0.584	1	30	biogenic,in-vitro	FCEFRN
CCc1cc(-n2ccc(=O)cc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N	ZINC000003946248	206995927	/nfs/dbraw/zinc/99/59/27/206995927.db2.gz	DAQFIYQQCCJXGQ-UHFFFAOYSA-N	0	0	362.411	0.217	1	30		FCEFRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@H]3CO[C@@H](CNC=[NH2+])C3)[C@H](C)[C@H]12	ZINC000026831901	207922132	/nfs/dbraw/zinc/92/21/32/207922132.db2.gz	WSVFZKMFONMQNW-PAUJSFGCSA-N	0	0	369.443	0.018	1	30		FCEFRN
CC(C)NC(=O)CN1CCN(C2=CC(=O)c3c(O)ccc(O)c3C2=O)CC1	ZINC000031970033	208022697	/nfs/dbraw/zinc/02/26/97/208022697.db2.gz	VWLXYTOSWLXXFC-UHFFFAOYSA-N	0	0	373.409	0.503	1	30		FCEFRN
C[C@@](CCn1ccc(-c2ccccc2)nc1=O)(C(=O)NO)S(C)(=O)=O	ZINC000084596136	208958992	/nfs/dbraw/zinc/95/89/92/208958992.db2.gz	DCTCDAMRYIRJDY-MRXNPFEDSA-N	0	0	365.411	0.609	1	30		FCEFRN
C=CCN1C(=O)COc2cc(F)c(-n3nnc4c(cnn4C)c3=O)cc21	ZINC000098082562	132305663	/nfs/dbraw/zinc/30/56/63/132305663.db2.gz	YJLVIFBRSVZSDT-UHFFFAOYSA-N	0	0	356.317	0.565	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CCC[C@@]4(C)CO[C@@H]1O[C@]3(O)[C@@H](O)[C@H]42	ZINC000095919435	291025705	/nfs/dbraw/zinc/02/57/05/291025705.db2.gz	AEKXPCBWZDPSDU-QDNBPRRDSA-N	0	0	362.422	0.741	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)C[C@@](C)(O)[C@@H]1CC(=O)[C@](C)(O)[C@@H]12	ZINC000095098968	291025708	/nfs/dbraw/zinc/02/57/08/291025708.db2.gz	DKHQGANNIBTMQA-ISIXXXIXSA-N	0	0	366.410	0.763	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CC[C@H](O)C(C)(C)[C@H]1[C@H](O)[C@H]3O[C@H]2O	ZINC000095910155	291025959	/nfs/dbraw/zinc/02/59/59/291025959.db2.gz	MRSSPTVTCWITTC-UDCQSWCZSA-N	0	0	364.438	0.374	1	30	biogenic,in-vitro	FCEFRN
C/C=C/C(=O)OCC1=C[C@H](O)[C@H]2O[C@@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O	ZINC000142393216	209380081	/nfs/dbraw/zinc/38/00/81/209380081.db2.gz	VXLCROMNFCPICL-VFHVIYOFSA-N	0	0	356.371	0.485	1	30		FCEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)C[C@@](C)(O)[C@@H]1CC(=O)[C@@](C)(O)[C@@H]12	ZINC000040879586	206661387	/nfs/dbraw/zinc/66/13/87/206661387.db2.gz	DKHQGANNIBTMQA-XCVVTDSGSA-N	0	0	366.410	0.763	1	30	biogenic,in-vitro	FCEFRN
O=C1N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C(=O)N2CCC[C@@H]12	ZINC000028635240	207969047	/nfs/dbraw/zinc/96/90/47/207969047.db2.gz	LHOCMBNQIGHKLZ-BBATYDOGSA-N	0	0	354.387	0.926	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CC[C@H](O)C(C)(C)[C@H]1[C@H](O)[C@H]3O[C@@H]2O	ZINC000095910154	291025964	/nfs/dbraw/zinc/02/59/64/291025964.db2.gz	MRSSPTVTCWITTC-CGQCTYTLSA-N	0	0	364.438	0.374	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12[C@H](O)OC[C@](C)(CC[C@@H]1O)[C@H]2C[C@H]3O	ZINC000095914741	291025967	/nfs/dbraw/zinc/02/59/67/291025967.db2.gz	TWDVUSKDRMWIQN-BWWMJFBFSA-N	0	0	364.438	0.376	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@@]1(C)CO1)CC(=C)[C@@H]1C[C@H](O)[C@@]3(CO3)[C@@H]12	ZINC000006032133	291026757	/nfs/dbraw/zinc/02/67/57/291026757.db2.gz	HQZJODBJOBTCPI-LKUPFZQBSA-N	0	0	362.378	0.511	1	30	biogenic	FCEFRN
CCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1O	ZINC000139397946	209378468	/nfs/dbraw/zinc/37/84/68/209378468.db2.gz	WDQZYCGBOLNUOV-MSQAHXEGSA-N	0	0	369.418	0.348	1	30		FCEFRN
CC(NNS(=O)(=O)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000103238332	209249745	/nfs/dbraw/zinc/24/97/45/209249745.db2.gz	BPXBUSQFLCUADA-OQLLNIDSSA-N	0	0	352.372	0.007	1	30		FCEFRN
C=C1C(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2[C@H]3N2C)C(=O)C1N1C[C@H]1C	ZINC000029551550	207993041	/nfs/dbraw/zinc/99/30/41/207993041.db2.gz	RRWDDSRORXYTAY-ZRFQQTJHSA-N	0	0	356.382	0.809	1	30		FCEFRN
COC1=CC(=O)c2c(c(CO[P@@](N)(=O)N3CCOCC3)cn2C)C1=O	ZINC000029328849	207987215	/nfs/dbraw/zinc/98/72/15/207987215.db2.gz	LIVJUTWMSREQAX-RUZDIDTESA-N	0	0	369.314	0.850	1	30		FCEFRN
CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O	ZINC000044093787	208310661	/nfs/dbraw/zinc/31/06/61/208310661.db2.gz	KSJKYOFITYMQNA-PNBKFKSVSA-N	0	0	370.446	0.841	1	30		FCEFRN
CS(=O)(=O)OCC1=C(COS(C)(=O)=O)C(=O)c2ccccc2C1=O	ZINC000043439759	208305789	/nfs/dbraw/zinc/30/57/89/208305789.db2.gz	FTFFBAZVGWYDMX-UHFFFAOYSA-N	0	0	374.392	0.315	1	30		FCEFRN
N#Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	ZINC000084671983	132198983	/nfs/dbraw/zinc/19/89/83/132198983.db2.gz	WICAXYIINLOAPR-UHFFFAOYSA-N	0	0	368.401	0.555	1	30		FCEFRN
C[C@@](CCn1cc(-c2ccc(F)c(F)c2)nn1)(C(=O)NO)S(C)(=O)=O	ZINC000095554747	209078778	/nfs/dbraw/zinc/07/87/78/209078778.db2.gz	BNYSJQADUYPVAS-CQSZACIVSA-N	0	0	374.369	0.922	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1C[C@H](O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2	ZINC000038824924	291025949	/nfs/dbraw/zinc/02/59/49/291025949.db2.gz	AOUAZUQTHDBROH-XKCURVIJSA-N	0	0	364.438	0.376	1	30	biogenic,in-vitro	FCEFRN
CC(C)c1oc(=O)cc2c1[C@H](O)[C@@H]1OC(=O)[C@@]3(C)[C@@H]1[C@@]2(C)[C@@H]1O[C@@H]1[C@@H]3O	ZINC000169344170	209519788	/nfs/dbraw/zinc/51/97/88/209519788.db2.gz	DGNOPGIIPQKNHD-QIBOZAHNSA-N	0	0	362.378	0.758	1	30		FCEFRN
CC#CCN(CC#CC)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1	ZINC000004216639	209499208	/nfs/dbraw/zinc/49/92/08/209499208.db2.gz	UUTKTPGHPRSOMO-UHFFFAOYSA-N	0	0	359.411	0.708	3	30		FCEFRN
CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\OCC(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O	ZINC000102836100	209242585	/nfs/dbraw/zinc/24/25/85/209242585.db2.gz	HMDSNQDEABBDKJ-BEOLEOBESA-N	0	0	352.431	0.788	1	30		FCEFRN
C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@H]3CC[C@@H]12	ZINC000102832015	209242718	/nfs/dbraw/zinc/24/27/18/209242718.db2.gz	ZQZXNMMZSPKMBB-OHQYFWNRSA-N	0	0	362.426	0.545	1	30		FCEFRN
COC(=O)CC[C@H](NC(=S)N/N=C(\C)c1nccs1)C(=O)OC	ZINC000005811894	207117157	/nfs/dbraw/zinc/11/71/57/207117157.db2.gz	WTYFQCKQWGBDMD-VKPPLCHCSA-N	0	0	358.445	0.826	1	30		FCEFRN
C[C@H]1CC(=O)[C@@H]2[C@@]34O[C@]3([C@@H](O)C[C@]2(O)C1)[C@@H](O)c1c(O)cccc1C4=O	ZINC000035270821	208121546	/nfs/dbraw/zinc/12/15/46/208121546.db2.gz	MHCYVCDXRQGUFW-CGHXROHNSA-N	0	0	360.362	0.241	1	30		FCEFRN
NC(=O)c1ccc(-c2nnn(CC#CI)n2)cc1	ZINC000003596909	208275748	/nfs/dbraw/zinc/27/57/48/208275748.db2.gz	KXQNHZYYCIXSQE-UHFFFAOYSA-N	0	0	353.123	0.835	1	30		FCEFRN
Cc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)cc1	ZINC000095555071	209079280	/nfs/dbraw/zinc/07/92/80/209079280.db2.gz	JSBHAUGRDWMDAL-OAHLLOKOSA-N	0	0	352.416	0.952	1	30		FCEFRN
CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@@H](CCCC#N)C(=O)OC)n1	ZINC000103188865	209248441	/nfs/dbraw/zinc/24/84/41/209248441.db2.gz	RDGCLSWKKCABKR-NSHDSACASA-N	0	0	371.419	0.597	1	30		FCEFRN
COCCNC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)C[C@@H]3O	ZINC000103025654	209246090	/nfs/dbraw/zinc/24/60/90/209246090.db2.gz	JKDMCGBFZGHGIL-VOJFVSQTSA-N	0	0	363.366	0.327	1	30		FCEFRN
C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21	ZINC000040943104	206659594	/nfs/dbraw/zinc/65/95/94/206659594.db2.gz	HEJVISJCOQSDIH-URUZQALBSA-N	0	0	362.378	0.270	1	30		FCEFRN
CCCCCCC#Cc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000012405280	207370773	/nfs/dbraw/zinc/37/07/73/207370773.db2.gz	PMGLTLWPPAGOLD-GFOCRRMGSA-N	0	0	360.414	0.760	1	30		FCEFRN
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(N=O)cc1	ZINC000095793815	209085658	/nfs/dbraw/zinc/08/56/58/209085658.db2.gz	ITAWNWPIWGSXQN-UHFFFAOYSA-N	0	0	366.417	0.843	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/[C@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014587628	574413520	/nfs/dbraw/zinc/41/35/20/574413520.db2.gz	SZOPSAFLRCYJCX-XCADVZOESA-N	0	0	370.442	0.309	1	30	endogenous,in-man	FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CC(=O)C(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2	ZINC000103292722	209252545	/nfs/dbraw/zinc/25/25/45/209252545.db2.gz	XXMDEEITBAVTGJ-OHIPTLTGSA-N	0	0	360.406	0.360	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)/C1=C/C[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000103271334	209251245	/nfs/dbraw/zinc/25/12/45/209251245.db2.gz	QPBOUUUYBCDTKI-KPZPRLHPSA-N	0	0	370.442	0.453	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)/C1=C/C[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000103271335	209250525	/nfs/dbraw/zinc/25/05/25/209250525.db2.gz	QPBOUUUYBCDTKI-MMHFZOILSA-N	0	0	370.442	0.453	1	30		FCEFRN
N#Cc1c(NCCCN2CCOCC2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]	ZINC000100917147	209218620	/nfs/dbraw/zinc/21/86/20/209218620.db2.gz	KPUZBASLWXYJHP-UHFFFAOYSA-N	0	0	363.805	0.766	1	30		FCEFRN
Nc1nc(Cl)c(C#Cc2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	ZINC000073166472	206680269	/nfs/dbraw/zinc/68/02/69/206680269.db2.gz	PYBKAINGQYTRDA-NGFQHRJXSA-N	0	0	374.828	0.627	1	30		FCEFRN
C[C@H]1CC(=O)[C@H]2[C@@]34O[C@]3([C@@H](O)C[C@]2(O)C1)[C@@H](O)c1c(O)cccc1C4=O	ZINC000035270817	208120588	/nfs/dbraw/zinc/12/05/88/208120588.db2.gz	MHCYVCDXRQGUFW-JZWDCWHVSA-N	0	0	360.362	0.241	1	30		FCEFRN
CNC(=S)N/N=C1/c2cc(F)ccc2N(CN2CCOCC2)C1=O	ZINC000028651464	211494958	/nfs/dbraw/zinc/49/49/58/211494958.db2.gz	ANVINTOYIMZOQS-AQTBWJFISA-N	0	0	351.407	0.260	1	30		FCEFRN
CCCN1C(=O)N(C)[C@@](C(=O)OC)(C2=CC(=O)c3[nH]ccc3C2=O)C1=O	ZINC000014977579	211111941	/nfs/dbraw/zinc/11/19/41/211111941.db2.gz	REFYXRYHEVXVAI-KRWDZBQOSA-N	0	0	359.338	0.536	1	30		FCEFRN
CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C	ZINC000005956184	210650170	/nfs/dbraw/zinc/65/01/70/210650170.db2.gz	LWMRDYATFIGRPF-VYDRJRHOSA-N	0	0	354.428	0.241	1	30		FCEFRN
CCCCCCCCOCC#CCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000095588327	221966782	/nfs/dbraw/zinc/96/67/82/221966782.db2.gz	ZVRLQNBKIBNORM-ICUGJSFKSA-N	0	0	360.447	0.183	1	30		FCEFRN
NC(=O)C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NO	ZINC000096909798	222137658	/nfs/dbraw/zinc/13/76/58/222137658.db2.gz	BESWPDMDNROCMI-INIZCTEOSA-N	0	0	351.362	0.566	1	30		FCEFRN
C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@H]3CC[C@H]12	ZINC000102759560	222307649	/nfs/dbraw/zinc/30/76/49/222307649.db2.gz	ZQZXNMMZSPKMBB-PBZVSLPRSA-N	0	0	362.426	0.545	1	30		FCEFRN
CC(=O)/C=C/[C@H]1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	ZINC000107434276	222394616	/nfs/dbraw/zinc/39/46/16/222394616.db2.gz	NSDJVCFZKFOLGV-ZOSSRMHFSA-N	0	0	372.458	0.389	1	30		FCEFRN
C=C1C/C(=C/C)C(=O)O[C@@H]2CC[N+]3([O-])C[C@@H](O)[C@H](COC(=O)[C@]1(C)O)[C@H]23	ZINC000238758806	717162702	/nfs/dbraw/zinc/16/27/02/717162702.db2.gz	GPIKVBAUFPRYAQ-NUDPSEGVSA-N	0	0	367.398	0.176	1	30		FCEFRN
C=C1[C@@H](O)[C@]23[C@H](O)[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O	ZINC000169313022	210175213	/nfs/dbraw/zinc/17/52/13/210175213.db2.gz	GLUUDKFJKAARFN-CNDURKJHSA-N	0	0	352.471	0.831	1	30		FCEFRN
CO[C@@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C3c5c(c[nH]c5C(=O)C1=N4)CCN32	ZINC000040980124	211766538	/nfs/dbraw/zinc/76/65/38/211766538.db2.gz	TYPMFNKWGPMUPQ-IGQKQQENSA-O	0	0	366.422	0.739	1	30		FCEFRN
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCCCC1)[C@H](O)C(=O)NO	ZINC000013587675	211041210	/nfs/dbraw/zinc/04/12/10/211041210.db2.gz	SWGNLZZWRNXEQF-ILXRZTDVSA-N	0	0	369.462	0.663	1	30		FCEFRN
CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12	ZINC000013601852	211042514	/nfs/dbraw/zinc/04/25/14/211042514.db2.gz	LVCQQCMSWLXOFH-SMDDNHRTSA-N	0	0	359.400	0.031	1	30		FCEFRN
CC(=O)N[C@](Cc1ccccc1)(C(=O)NO)C(=O)NCc1ccccc1	ZINC000013528353	211038036	/nfs/dbraw/zinc/03/80/36/211038036.db2.gz	SNOUFSTWEYTZQZ-IBGZPJMESA-N	0	0	355.394	0.926	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CCC2=O	ZINC000169350104	222565558	/nfs/dbraw/zinc/56/55/58/222565558.db2.gz	OEUKSZHOIAKPSQ-OHIPTLTGSA-N	0	0	362.422	0.584	1	30		FCEFRN
C=CCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OCCc1ccccc1	ZINC000035091030	210171052	/nfs/dbraw/zinc/17/10/52/210171052.db2.gz	DCKLMORZQCBKPJ-SJQORLFUSA-N	0	0	365.426	0.136	1	30		FCEFRN
C=C1[C@@H](O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O	ZINC000095913876	291027271	/nfs/dbraw/zinc/02/72/71/291027271.db2.gz	DSHJJLKUJOADCV-RATWNWGVSA-N	0	0	366.454	0.167	1	30	biogenic,in-vitro	FCEFRN
C=C1[C@@H](O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2=O	ZINC000033940856	291027275	/nfs/dbraw/zinc/02/72/75/291027275.db2.gz	DWBNAAUVBIEEOE-WRLHIJJLSA-N	0	0	364.438	0.723	1	30	biogenic,in-vitro	FCEFRN
CC1CC(=O)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(C)[C@@]13C	ZINC000095099593	291028566	/nfs/dbraw/zinc/02/85/66/291028566.db2.gz	YOGMRMRYMHICAC-XASCANQDSA-N	0	0	364.438	0.828	1	30	biogenic,in-vitro	FCEFRN
O=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2cccs2)cc1	ZINC000040409785	211743943	/nfs/dbraw/zinc/74/39/43/211743943.db2.gz	MLRJDCCBCWNZMV-CQSZACIVSA-N	0	0	359.407	0.937	1	30		FCEFRN
C[C@@H]1C=C(OC(=O)c2ccccc2)C(=O)[C@H](n2cc(F)c(=O)[nH]c2=O)O1	ZINC000001620060	210362606	/nfs/dbraw/zinc/36/26/06/210362606.db2.gz	HTDAJLUMYZCQFP-RFAUZJTJSA-N	0	0	360.297	0.903	1	30		FCEFRN
N#Cc1c(N2CCOCC2)nn2c1nc(N)c(C#N)c2N1CCCCC1	ZINC000096928789	132226541	/nfs/dbraw/zinc/22/65/41/132226541.db2.gz	YSCQABZHAWQYKL-UHFFFAOYSA-N	0	0	352.402	0.882	1	30		FCEFRN
CCCCNC1=CC(=O)c2c(c(C)nc3c2c(=O)n(C)c(=O)n3C)C1=O	ZINC000102249850	222292981	/nfs/dbraw/zinc/29/29/81/222292981.db2.gz	CCIDJKDIFJRMHU-UHFFFAOYSA-N	0	0	356.382	0.593	1	30		FCEFRN
CCNC(=[NH2+])N[C@H]1CC(C(=O)[O-])=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O	ZINC000169311066	222559422	/nfs/dbraw/zinc/55/94/22/222559422.db2.gz	MPEDNAYFLCGPBO-RRFJBIMHSA-N	0	0	354.451	0.772	1	30		FCEFRN
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#CC#CCC1CCCC1	ZINC000084668970	210236870	/nfs/dbraw/zinc/23/68/70/210236870.db2.gz	FAUQORODVPWJOA-GVDBMIGSSA-N	0	0	358.394	0.113	1	30		FCEFRN
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000040496454	210044810	/nfs/dbraw/zinc/04/48/10/210044810.db2.gz	WMTFBQRREDFZFN-GJDABLOWSA-N	0	0	354.443	0.559	1	30		FCEFRN
C=C1[C@H]2[C@@H](C[C@@H]1O)C(=C)C[C@H](OC(=O)[C@](C)(O)CO)[C@H]1[C@@H](C)C(=O)O[C@H]21	ZINC000040393054	210044709	/nfs/dbraw/zinc/04/47/09/210044709.db2.gz	XXTSIUYSUUNNEI-HTWCUIPXSA-N	0	0	366.410	0.332	1	30		FCEFRN
N#Cc1cc2c(n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCC2	ZINC000017259134	211182972	/nfs/dbraw/zinc/18/29/72/211182972.db2.gz	WHZHBDCMWKMMOX-RBGFHDKUSA-N	0	0	366.439	0.331	1	30		FCEFRN
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCF	ZINC000013650613	211046961	/nfs/dbraw/zinc/04/69/61/211046961.db2.gz	GDQZBSIOBPOICN-IHRRRGAJSA-N	0	0	360.426	0.960	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)/C1=C\C[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000103271337	222331047	/nfs/dbraw/zinc/33/10/47/222331047.db2.gz	QPBOUUUYBCDTKI-JYSNOWQQSA-N	0	0	370.442	0.453	1	30		FCEFRN
CCOC(=O)[C@H](CO)NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O	ZINC000102947954	222315661	/nfs/dbraw/zinc/31/56/61/222315661.db2.gz	IWKNGXOSOBWJKA-LURJTMIESA-N	0	0	355.730	0.441	1	30		FCEFRN
CC#CCOc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)OC)cc1	ZINC000028527876	210164946	/nfs/dbraw/zinc/16/49/46/210164946.db2.gz	JXVXHIZWHLNNKZ-HNNXBMFYSA-N	0	0	353.396	0.651	1	30		FCEFRN
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000027554171	210161293	/nfs/dbraw/zinc/16/12/93/210161293.db2.gz	PMFYTDUXCIGRLU-AKEJORPTSA-N	0	0	370.486	0.741	1	30		FCEFRN
C=C1CC[C@H]2C(=C)CC[C@H]3[C@H](C[NH2+][C@@H](CC(N)=O)C(=O)[O-])C(=O)O[C@@H]3[C@@H]12	ZINC000013906701	210143757	/nfs/dbraw/zinc/14/37/57/210143757.db2.gz	MZFVEYVQALPRDY-HHHJXDIYSA-N	0	0	362.426	0.995	1	30		FCEFRN
CCCCC#Cc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(NC)n1	ZINC000006050770	210108076	/nfs/dbraw/zinc/10/80/76/210108076.db2.gz	KOCIMZNSNPOGOP-FSLVRNTJSA-N	0	0	361.402	0.021	1	30		FCEFRN
CCCCC#Cc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(NC)n1	ZINC000006050768	210107708	/nfs/dbraw/zinc/10/77/08/210107708.db2.gz	KOCIMZNSNPOGOP-ADTUEAJISA-N	0	0	361.402	0.021	1	30		FCEFRN
NC(=O)c1nc(C#Cc2ccc(C(F)(F)F)cc2)n(COCCO)n1	ZINC000040950290	210043848	/nfs/dbraw/zinc/04/38/48/210043848.db2.gz	DGVXEJLSUHTSEN-UHFFFAOYSA-N	0	0	354.288	0.762	1	30		FCEFRN
C=C[C@@]12COC(=O)C(=C)[C@H]1[C@@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2	ZINC000095486036	291027464	/nfs/dbraw/zinc/02/74/64/291027464.db2.gz	ZSXNBLOPYIJLQV-FVBMSTDLSA-N	0	0	360.362	0.850	1	30	biogenic,in-vitro	FCEFRN
C=CCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1	ZINC000002964786	219478683	/nfs/dbraw/zinc/47/86/83/219478683.db2.gz	UHQXAHLWQNZCPO-UHFFFAOYSA-N	0	0	373.475	0.084	1	30		FCEFRN
CS(=O)(=O)CCCNC(=O)[C@@H]1CCCCCC[C@@H](CS)C(=O)N1	ZINC000013834122	211060952	/nfs/dbraw/zinc/06/09/52/211060952.db2.gz	PDFZPNXNXKKFPO-STQMWFEESA-N	0	0	364.533	0.922	1	30		FCEFRN
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)[C@H](F)C(=O)NO	ZINC000013587665	211041383	/nfs/dbraw/zinc/04/13/83/211041383.db2.gz	JVPNDTASPHAJLQ-RDBSUJKOSA-N	0	0	373.425	0.486	1	30		FCEFRN
N#Cc1cc(N)ncc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000084596869	132198618	/nfs/dbraw/zinc/19/86/18/132198618.db2.gz	SQQHRHWAOFNFOE-UHFFFAOYSA-N	0	0	367.413	0.666	1	30		FCEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(=O)/C(C)=C\C)C(C)=C1C(=O)C=C(C)[C@@]12O	ZINC000005179149	560201216	/nfs/dbraw/zinc/20/12/16/560201216.db2.gz	SLZLXIXUYNEOBA-MELKTAGESA-N	0	0	374.389	0.913	1	30	biogenic,in-vitro	FCEFRN
CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014487714	571710001	/nfs/dbraw/zinc/71/00/01/571710001.db2.gz	NYLNHNDMNOPWAZ-VTXOFQDXSA-N	0	0	372.458	0.533	1	30	endogenous,in-man	FCEFRN
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)NO)CC[NH2+]CC2)cc1	ZINC000028861978	210166530	/nfs/dbraw/zinc/16/65/30/210166530.db2.gz	CEVWXUVNZJTNNB-UHFFFAOYSA-N	0	0	365.455	0.771	1	30		FCEFRN
C=CCOc1ccc(C(=O)N[C@H](CO)C(=O)NO)cc1OC(F)(F)F	ZINC000013474949	210144247	/nfs/dbraw/zinc/14/42/47/210144247.db2.gz	QTKANMUTLPOLTQ-SECBINFHSA-N	0	0	364.276	0.746	1	30		FCEFRN
C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)C(C)C)[C@@](C)(O)[C@@H]1CC(=O)[C@@](C)(O)[C@@H]12	ZINC000095909539	291025702	/nfs/dbraw/zinc/02/57/02/291025702.db2.gz	QQWBRQCZLCDCCF-STTUGDQJSA-N	0	0	366.410	0.763	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)[C@@]23C(=O)[C@@H](O)[C@@H]4C(C)(C)CCC[C@@]4(C=O)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O	ZINC000028973874	211503260	/nfs/dbraw/zinc/50/32/60/211503260.db2.gz	FXRPURAFXBTHQC-IMRIKLNESA-N	0	0	362.422	0.425	1	30		FCEFRN
COc1ccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)NO)cc1	ZINC000013797682	211059422	/nfs/dbraw/zinc/05/94/22/211059422.db2.gz	UNRFEBNSHUZKHJ-CYBMUJFWSA-N	0	0	352.372	0.039	1	30		FCEFRN
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C)(C)CC)[C@H](O)C(=O)NO	ZINC000013587671	211040480	/nfs/dbraw/zinc/04/04/80/211040480.db2.gz	QWRBYXRWVMZOIS-RDBSUJKOSA-N	0	0	371.478	0.955	1	30		FCEFRN
CC(=O)/C=C/[C@H]1C(C)=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	ZINC000096922239	222139866	/nfs/dbraw/zinc/13/98/66/222139866.db2.gz	DSYFGNYNOFNAON-BHRLKQCISA-N	0	0	370.442	0.309	1	30		FCEFRN
N/C(=N/O)c1ccc(-c2cncc(-c3ccc(/C(N)=N/O)nc3)n2)cn1	ZINC000096938734	222143301	/nfs/dbraw/zinc/14/33/01/222143301.db2.gz	JTNRPLUWQFFQKU-UHFFFAOYSA-N	0	0	350.342	0.790	1	30		FCEFRN
N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N/O)cn3)n2)nc1	ZINC000096938478	222143487	/nfs/dbraw/zinc/14/34/87/222143487.db2.gz	XTVRPCUNLAMBGE-UHFFFAOYSA-N	0	0	350.342	0.790	1	30		FCEFRN
C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]25[C@@H]3[C@@H](O)C[C@@H]14	ZINC000005762298	560203096	/nfs/dbraw/zinc/20/30/96/560203096.db2.gz	GSRZMSWBSLHHAD-GJWLLTOMSA-N	0	0	362.422	0.740	1	30	biogenic,in-vitro	FCEFRN
CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014587627	574413524	/nfs/dbraw/zinc/41/35/24/574413524.db2.gz	SZOPSAFLRCYJCX-DPVWNHPYSA-N	0	0	370.442	0.309	1	30	endogenous,in-man	FCEFRN
CC(C)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@@H]1O[C@@H]1[C@@H]3O	ZINC000071318021	210214157	/nfs/dbraw/zinc/21/41/57/210214157.db2.gz	JGSUCIMBMLTPHC-OGSKSCCRSA-N	0	0	362.378	0.342	1	30	in-vitro	FCEFRN
CC1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C(=O)[C@@]4(CO4)[C@@H]([C@H]1O)[C@@H](O)C(=O)[C@H]32	ZINC000059086047	212015270	/nfs/dbraw/zinc/01/52/70/212015270.db2.gz	JLPIBPUFZAMVBA-SBUCAMQKSA-N	0	0	364.438	0.459	1	30		FCEFRN
O=C1CN(CCS)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1	ZINC000040954458	211766203	/nfs/dbraw/zinc/76/62/03/211766203.db2.gz	BDNALTIOJJFDBL-QGZVFWFLSA-N	0	0	374.443	0.694	1	30		FCEFRN
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC1)[C@H](O)C(=O)NO	ZINC000013587674	211041611	/nfs/dbraw/zinc/04/16/11/211041611.db2.gz	BFHNKPBMUCEFKG-RDBSUJKOSA-N	0	0	355.435	0.273	1	30		FCEFRN
C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2	ZINC000049176726	221021155	/nfs/dbraw/zinc/02/11/55/221021155.db2.gz	YWLGRTPMZJKCHR-KGMASNGISA-N	0	0	362.378	0.930	1	30		FCEFRN
N#Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1	ZINC000103262834	222329729	/nfs/dbraw/zinc/32/97/29/222329729.db2.gz	QYQCFFPPUYWMCZ-UHFFFAOYSA-N	0	0	372.362	0.910	1	30		FCEFRN
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	ZINC000169373334	210175273	/nfs/dbraw/zinc/17/52/73/210175273.db2.gz	PMFYTDUXCIGRLU-CNJUSNFLSA-N	0	0	370.486	0.741	1	30		FCEFRN
C#CCn1c(=O)c(Cl)cn(/C(=C/C(=O)OCC)C(=O)OCC)c1=O	ZINC000006009830	210108026	/nfs/dbraw/zinc/10/80/26/210108026.db2.gz	RSJAYDGPRDQPMW-DHZHZOJOSA-N	0	0	354.746	0.264	1	30		FCEFRN
CC(C)(C)OC(=O)N(CCn1cnc2c1ncnc2N)CC(=O)NO	ZINC000013860022	211063396	/nfs/dbraw/zinc/06/33/96/211063396.db2.gz	JDEXUBYCNLGDQO-UHFFFAOYSA-N	0	0	351.367	0.151	1	30		FCEFRN
O=C1C=C(N2CCN(c3ncccn3)CC2)C(=O)c2c(O)ccc(O)c21	ZINC000001637343	132382306	/nfs/dbraw/zinc/38/23/06/132382306.db2.gz	RBQUNWQTRHCQEU-UHFFFAOYSA-N	0	0	352.350	0.973	1	30		FCEFRN
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N/C(N)=N\O)C1	ZINC000103262271	222329242	/nfs/dbraw/zinc/32/92/42/222329242.db2.gz	DAKYBSAHWDBGLY-RRFJBIMHSA-N	0	0	370.450	0.620	1	30		FCEFRN
C=C([NH2+][C@@H](C(=O)[O-])C(C)C)[C@H](CS)NC(=O)CCC[C@H]([NH3+])C(=O)[O-]	ZINC000101318805	222268684	/nfs/dbraw/zinc/26/86/84/222268684.db2.gz	MGAOCYABKKPIMO-GMXVVIOVSA-N	0	0	361.464	0.196	1	30		FCEFRN
C=CCNC(=[NH2+])N[C@H]1CC(C(=O)[O-])=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O	ZINC000169311071	222560178	/nfs/dbraw/zinc/56/01/78/222560178.db2.gz	HQLHTKJIDFHOOR-ARFHVFGLSA-N	0	0	366.462	0.939	1	30		FCEFRN
C=C1[C@@H](O)[C@]23[C@H](O)[C@H]1C[C@H](O)[C@@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2	ZINC000095914890	291027249	/nfs/dbraw/zinc/02/72/49/291027249.db2.gz	AOQMHHBFIJHEPD-BFKNCLOGSA-N	0	0	366.454	0.167	1	30	biogenic,in-vitro	FCEFRN
C#CCO[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO	ZINC000013479026	220070074	/nfs/dbraw/zinc/07/00/74/220070074.db2.gz	VUDFTOHJBXWAGS-BFYDXBDKSA-N	0	0	369.377	0.794	3	30		FCEFRN
NC(=O)N=C1N[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1	ZINC000014943471	220136071	/nfs/dbraw/zinc/13/60/71/220136071.db2.gz	VMCPQSSQVUVWCH-BDXSIMOUSA-N	0	0	368.437	0.558	1	30		FCEFRN
O=C(CN(CCO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO	ZINC000053683340	221046830	/nfs/dbraw/zinc/04/68/30/221046830.db2.gz	QQDWEVONJRXVDB-UHFFFAOYSA-N	0	0	350.396	0.842	1	30	in-vivo	FCEFRN
CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000064447560	221146127	/nfs/dbraw/zinc/14/61/27/221146127.db2.gz	PMJBXKIXHZXTST-JMBULFPLSA-N	0	0	353.444	0.011	1	30		FCEFRN
CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000064447684	221146500	/nfs/dbraw/zinc/14/65/00/221146500.db2.gz	YBHWHJSEADOYGU-XUYIYWCOSA-N	0	0	373.862	0.356	1	30		FCEFRN
CCC#CCOc1ccc(CCNC(=O)CNS(C)(=O)=O)cc1OC	ZINC000103182359	222322753	/nfs/dbraw/zinc/32/27/53/222322753.db2.gz	PBSQLMXYGSWRBV-UHFFFAOYSA-N	0	0	368.455	0.695	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1C[C@@H](O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2	ZINC000095913309	560056812	/nfs/dbraw/zinc/05/68/12/560056812.db2.gz	AOUAZUQTHDBROH-KJKVQUAFSA-N	0	0	364.438	0.376	1	30	biogenic,in-vitro	FCEFRN
C=C[C@@]1(O)C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@@H]2NC(=O)C1	ZINC000095099436	560062421	/nfs/dbraw/zinc/06/24/21/560062421.db2.gz	GCZKTIYYMLKKFY-SGUWUFQGSA-N	0	0	358.438	0.644	1	30	biogenic,in-vitro	FCEFRN
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@](C)(O1)[C@H](O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H](O)[C@]12C	ZINC000005762335	560203077	/nfs/dbraw/zinc/20/30/77/560203077.db2.gz	WPDITXOBNLYZHH-BKHSYUBZSA-N	0	0	368.470	0.949	3	30	in-vitro	FCEFRN
CC(C)CC=CC=CC(=O)NC1=C[C@@](O)(CCC(N)=O)[C@H](O)CC1=O	ZINC000013431910	220067007	/nfs/dbraw/zinc/06/70/07/220067007.db2.gz	VLZVGRPEASVNDM-HMBRAYOKSA-N	0	0	350.415	0.475	1	30	in-vitro	FCEFRN
C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H]2O	ZINC000015196282	220149703	/nfs/dbraw/zinc/14/97/03/220149703.db2.gz	SDHTXBWLVGWJFT-JIPGCJCKSA-N	0	0	364.438	0.376	1	30		FCEFRN
CS(=O)(=O)CCCNC(=O)[C@@H]1CCCCCC[C@H](CS)C(=O)N1	ZINC000027299360	220531036	/nfs/dbraw/zinc/53/10/36/220531036.db2.gz	PDFZPNXNXKKFPO-OLZOCXBDSA-N	0	0	364.533	0.922	1	30		FCEFRN
N#Cc1c(NCCCN2CCOCC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-]	ZINC000100919809	222257584	/nfs/dbraw/zinc/25/75/84/222257584.db2.gz	KGGZCLRNEFTUSO-UHFFFAOYSA-N	0	0	363.805	0.766	1	30		FCEFRN
C=C(C)C[C@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1	ZINC000103177895	222323510	/nfs/dbraw/zinc/32/35/10/222323510.db2.gz	MKUUESGPQZQMQI-LLVKDONJSA-N	0	0	358.420	0.870	1	30		FCEFRN
C=C(CO)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C	ZINC000169326097	222562710	/nfs/dbraw/zinc/56/27/10/222562710.db2.gz	XOQQMHWZRICZPV-XBCTYBCVSA-N	0	0	364.394	0.986	1	30		FCEFRN
CC1=C(Cl)C(=O)[C@@]2(C)C1=CC(=O)[C@@]13CO[C@@]4(C)[C@@H]1C(=O)O[C@H]4[C@H](O)[C@H]23	ZINC000095910085	291028572	/nfs/dbraw/zinc/02/85/72/291028572.db2.gz	XWZRMHYASRAXNP-LXGLLNGISA-N	0	0	364.781	0.905	1	30	biogenic,in-vitro	FCEFRN
C#C[C@H](CC(=O)[O-])NC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2	ZINC000013436040	220066824	/nfs/dbraw/zinc/06/68/24/220066824.db2.gz	PNOOUBYTEJHUQX-CQSZACIVSA-N	0	0	372.425	0.471	1	30		FCEFRN
NC(=O)c1cccc2c1C(=NNc1ccc(S(N)(=O)=O)cc1)C(=O)N2	ZINC000013470443	220068609	/nfs/dbraw/zinc/06/86/09/220068609.db2.gz	OZSLNXHNDFPMPJ-UHFFFAOYSA-N	0	0	359.367	0.201	1	30		FCEFRN
Nc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3[C@@H]2C(=O)NO)cc1	ZINC000013588260	220077084	/nfs/dbraw/zinc/07/70/84/220077084.db2.gz	VVZFBVIPGIVQRI-OAHLLOKOSA-N	0	0	363.395	0.768	1	30		FCEFRN
CS(=O)(=O)c1cc(C(=O)N=C(N)N)c(Cl)cc1Nc1ncccn1	ZINC000013763154	220093265	/nfs/dbraw/zinc/09/32/65/220093265.db2.gz	NHGVAPKJZZDTOW-UHFFFAOYSA-N	0	0	368.806	0.691	1	30		FCEFRN
COc1ccc(S(=O)(=O)N2Cc3ncn(C)c3C[C@@H]2C(=O)NO)cc1	ZINC000013797691	220094883	/nfs/dbraw/zinc/09/48/83/220094883.db2.gz	HRTBORRCNRXWRR-CQSZACIVSA-N	0	0	366.399	0.050	1	30		FCEFRN
CC(C)c1oc(=O)cc2c1[C@@H](O)[C@@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O	ZINC000014612019	220128134	/nfs/dbraw/zinc/12/81/34/220128134.db2.gz	DGNOPGIIPQKNHD-BLNDQMSNSA-N	0	0	362.378	0.758	1	30		FCEFRN
C=C1C[C@H](O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@@H]12	ZINC000049033608	221018246	/nfs/dbraw/zinc/01/82/46/221018246.db2.gz	RHXXBQHEZAHGGS-MHSWQEBQSA-N	0	0	350.411	0.438	1	30		FCEFRN
C[C@H]1CO[C@H]2C(CN3CC[NH2+]CC3)=C(F)C=C3C(=O)C(C(=O)[O-])=CN1[C@@H]32	ZINC000053188973	221042813	/nfs/dbraw/zinc/04/28/13/221042813.db2.gz	KSVDEUGLZNFYSB-QXKQMHMISA-N	0	0	363.389	0.064	1	30		FCEFRN
C=C[C@@H](C)[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1	ZINC000103188884	222323470	/nfs/dbraw/zinc/32/34/70/222323470.db2.gz	HJNOLMVUCYCMDN-MNOVXSKESA-N	0	0	358.420	0.725	1	30		FCEFRN
COC1=CC(=O)c2c(c(CO[P@](N)(=O)N3CCOCC3)cn2C)C1=O	ZINC000101473827	222276292	/nfs/dbraw/zinc/27/62/92/222276292.db2.gz	LIVJUTWMSREQAX-VWLOTQADSA-N	0	0	369.314	0.850	1	30		FCEFRN
COC(=O)C1=C(C)N[C@@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132	ZINC000102943814	222315335	/nfs/dbraw/zinc/31/53/35/222315335.db2.gz	IONGZAQGFHKQGK-ZMYBRWDISA-N	0	0	368.345	0.040	1	30		FCEFRN
C=C1[C@@H](O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O	ZINC000095911257	291027252	/nfs/dbraw/zinc/02/72/52/291027252.db2.gz	GVECAQZXEMZIGZ-BUOKAGOGSA-N	0	0	364.438	0.987	1	30	biogenic,in-vitro	FCEFRN
C=C1CC[C@H]2C(=C)CC[C@H]3[C@H](C[NH2+][C@H](CC(N)=O)C(=O)[O-])C(=O)O[C@@H]3[C@@H]12	ZINC000070450983	291026756	/nfs/dbraw/zinc/02/67/56/291026756.db2.gz	MZFVEYVQALPRDY-NSIDCIDZSA-N	0	0	362.426	0.995	1	30	biogenic,in-vitro	FCEFRN
Nc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3[C@H]2C(=O)NO)cc1	ZINC000013588261	220077089	/nfs/dbraw/zinc/07/70/89/220077089.db2.gz	VVZFBVIPGIVQRI-HNNXBMFYSA-N	0	0	363.395	0.768	1	30		FCEFRN
C#CCn1c(=O)c2nc(C=Cc3ccc4c(c3)OCO4)[nH]c2n(C)c1=O	ZINC000013776420	220093793	/nfs/dbraw/zinc/09/37/93/220093793.db2.gz	ADESTIQKKYKDKN-FNORWQNLSA-N	0	0	350.334	0.956	1	30		FCEFRN
N#CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=S	ZINC000013598060	220077652	/nfs/dbraw/zinc/07/76/52/220077652.db2.gz	CBDUSBXALDFHAY-ATVHPVEESA-N	0	0	353.429	0.285	1	30		FCEFRN
CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(C)=O)S(=O)(=O)[C@H]12	ZINC000013601879	220078100	/nfs/dbraw/zinc/07/81/00/220078100.db2.gz	CPNODUKMFGZKSF-GDLCADMTSA-N	0	0	359.400	0.377	1	30		FCEFRN
C#C[C@@H](CC(=O)[O-])NC(=O)CCNC(=O)c1cc2cc(C(N)=[NH2+])ccc2o1	ZINC000013776172	220093168	/nfs/dbraw/zinc/09/31/68/220093168.db2.gz	ISXGAYYNCUNEFH-LBPRGKRZSA-N	0	0	370.365	0.429	1	30		FCEFRN
N#Cc1ccc(C[NH2+][C@@H]2[C@H]3CN(c4ncc(C(=O)NO)cn4)C[C@H]32)cc1	ZINC000101927305	222286614	/nfs/dbraw/zinc/28/66/14/222286614.db2.gz	NMKNCDRWFBGIEY-ZSHCYNCHSA-N	0	0	350.382	0.692	1	30		FCEFRN
COC(=O)C1=C(C)N[C@@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132	ZINC000102943810	222314825	/nfs/dbraw/zinc/31/48/25/222314825.db2.gz	IONGZAQGFHKQGK-KYNGSXCRSA-N	0	0	368.345	0.040	1	30		FCEFRN
CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014487716	571709783	/nfs/dbraw/zinc/70/97/83/571709783.db2.gz	NYLNHNDMNOPWAZ-QZMIZFLBSA-N	0	0	372.458	0.533	1	30	endogenous,in-man	FCEFRN
COC(=O)C1=C(C)N[C@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132	ZINC000195476526	222622113	/nfs/dbraw/zinc/62/21/13/222622113.db2.gz	IONGZAQGFHKQGK-CCKFTAQKSA-N	0	0	368.345	0.040	1	30		FCEFRN
C=C1[C@@H]2CC[C@@H]3[C@@]([C@@H]2O)([C@H]1O)[C@]1(O)OC[C@@]32[C@H]([C@@H]1O)C(C)(C)CC[C@@H]2O	ZINC000095911199	291027256	/nfs/dbraw/zinc/02/72/56/291027256.db2.gz	XWWQJYXCACMZIO-CYOJQCGKSA-N	0	0	366.454	0.167	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CCC[C@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2	ZINC000095912744	291025957	/nfs/dbraw/zinc/02/59/57/291025957.db2.gz	HSNHHKCWUXSXSA-NNCBBUSBSA-N	0	0	364.438	0.377	1	30	biogenic,in-vitro	FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O	ZINC000095914748	291025962	/nfs/dbraw/zinc/02/59/62/291025962.db2.gz	FUQYFTZWPYGVMC-OGEYPVBISA-N	0	0	366.454	0.010	1	30	biogenic,in-vitro	FCEFRN
C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)CO1)C[C@H](C)[C@]1(O)C=CC(=O)[C@@]21C	ZINC000095911338	291030135	/nfs/dbraw/zinc/03/01/35/291030135.db2.gz	BGWUJHGQDKSIKF-AILZWIIWSA-N	0	0	364.394	0.781	1	30	biogenic,in-vitro	FCEFRN
CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000013741614	220092264	/nfs/dbraw/zinc/09/22/64/220092264.db2.gz	MSUGUYPTEWUYIP-ZFWWWQNUSA-N	0	0	360.414	0.848	1	30		FCEFRN
CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C	ZINC000017252324	220211377	/nfs/dbraw/zinc/21/13/77/220211377.db2.gz	LWMRDYATFIGRPF-ARILJUKYSA-N	0	0	354.428	0.241	1	30		FCEFRN
N#Cc1cc2c(n([C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCC2	ZINC000017259138	220212278	/nfs/dbraw/zinc/21/22/78/220212278.db2.gz	WHZHBDCMWKMMOX-QRJUGERDSA-N	0	0	366.439	0.331	1	30		FCEFRN
N#Cc1cc2c(n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCC2	ZINC000017259141	220211276	/nfs/dbraw/zinc/21/12/76/220211276.db2.gz	WHZHBDCMWKMMOX-OWYFMNJBSA-N	0	0	366.439	0.331	1	30		FCEFRN
CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCC(N)=O	ZINC000026149535	220505624	/nfs/dbraw/zinc/50/56/24/220505624.db2.gz	HVJNSHNXECMQQW-HOTGVXAUSA-N	0	0	361.442	0.709	1	30		FCEFRN
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000040496457	220909492	/nfs/dbraw/zinc/90/94/92/220909492.db2.gz	WMTFBQRREDFZFN-CWBGTSRCSA-N	0	0	354.443	0.559	1	30		FCEFRN
Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)NO)OCCCCO3)cc1	ZINC000040954915	220926110	/nfs/dbraw/zinc/92/61/10/220926110.db2.gz	QLHFEEXZYDBHBZ-AWEZNQCLSA-N	0	0	370.427	0.787	1	30		FCEFRN
CC(=O)/C=C\[C@@H]1[C@@H](C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	ZINC000072320114	221465281	/nfs/dbraw/zinc/46/52/81/221465281.db2.gz	NSDJVCFZKFOLGV-WWQUKUJDSA-N	0	0	372.458	0.389	1	30		FCEFRN
C=CCN1C(=O)COc2cc(F)c(-n3nnc4c(c(C)nn4C)c3=O)cc21	ZINC000098084767	132305868	/nfs/dbraw/zinc/30/58/68/132305868.db2.gz	YAFHLQXCMHXKPQ-UHFFFAOYSA-N	0	0	370.344	0.873	1	30		FCEFRN
O=C1C(=NS(=O)(=O)C(F)(F)F)NCCN1Cc1ccc(Cl)nc1	ZINC000103188660	222323474	/nfs/dbraw/zinc/32/34/74/222323474.db2.gz	FJGCLDWOAOIAEJ-UHFFFAOYSA-N	0	0	370.740	0.915	1	30		FCEFRN
CCCCCO[C@H](CC)[C@@H]1OC(C(=O)[O-])=C[C@H](NC(N)=[NH2+])[C@H]1NC(C)=O	ZINC000013443838	220066700	/nfs/dbraw/zinc/06/67/00/220066700.db2.gz	OHIRTYDBPXMEBD-MXYBEHONSA-N	0	0	370.450	0.486	1	30		FCEFRN
O=C(NO)[C@H]1Cc2cc(O)c(O)cc2CN1S(=O)(=O)c1cccs1	ZINC000013472391	220067871	/nfs/dbraw/zinc/06/78/71/220067871.db2.gz	TXVOEXFQIXQGAB-SNVBAGLBSA-N	0	0	370.408	0.780	1	30		FCEFRN
C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@H]2O	ZINC000015196280	220149888	/nfs/dbraw/zinc/14/98/88/220149888.db2.gz	SDHTXBWLVGWJFT-IKHNOLCCSA-N	0	0	364.438	0.376	1	30		FCEFRN
C[C@H]1CO[C@H]2C(CN3CC[NH2+]CC3)=C(F)C=C3C(=O)C(C(=O)[O-])=CN1[C@H]32	ZINC000053188971	221043423	/nfs/dbraw/zinc/04/34/23/221043423.db2.gz	KSVDEUGLZNFYSB-FGDXXIHYSA-N	0	0	363.389	0.064	1	30		FCEFRN
CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@H](CCCC#N)C(=O)OC)n1	ZINC000103188868	222323373	/nfs/dbraw/zinc/32/33/73/222323373.db2.gz	RDGCLSWKKCABKR-LLVKDONJSA-N	0	0	371.419	0.597	1	30		FCEFRN
C/C=C/C(=O)OCC1=C[C@H](O)[C@@H]2O[C@@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O	ZINC000169363781	222566635	/nfs/dbraw/zinc/56/66/35/222566635.db2.gz	VXLCROMNFCPICL-HNJASLNMSA-N	0	0	356.371	0.485	1	30		FCEFRN
C=C[C@@]12[C@@H](O)[C@@H](OC(=O)CCO)[C@@H]3CC(=O)O[C@H]3[C@@H]1CC(=O)O[C@H]2CC	ZINC000095486104	291027475	/nfs/dbraw/zinc/02/74/75/291027475.db2.gz	XCEDPWHUSAYIAF-LBQOAZCGSA-N	0	0	368.382	0.101	1	30	biogenic,in-vitro	FCEFRN
N#Cc1nn(C2CCCCCC2)c(=O)n(CCCN2CCOCC2)c1=O	ZINC000049047402	221018339	/nfs/dbraw/zinc/01/83/39/221018339.db2.gz	UNCARMCJLDOGTA-UHFFFAOYSA-N	0	0	361.446	0.894	1	30		FCEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1[C@@H](O)C(=O)[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O	ZINC000095914750	560055475	/nfs/dbraw/zinc/05/54/75/560055475.db2.gz	RAYXYTDTYUFFJV-OMNYJYFXSA-N	0	0	364.438	0.218	1	30	biogenic,in-vitro	FCEFRN