smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNc1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc(C)cc1)C2=O	ZINC000038152145	205038251	/nfs/dbraw/zinc/03/82/51/205038251.db2.gz	AUMNRTKNFLPXAT-UHFFFAOYSA-N	0	0	360.391	2.343	1	30		FEEFRN
O=C(CCC1=CCCN(CCc2cccc(Br)c2)C1=O)NO	ZINC000064528255	205298389	/nfs/dbraw/zinc/29/83/89/205298389.db2.gz	LDMYNKWWCQDYOT-UHFFFAOYSA-N	0	0	367.243	2.436	1	30		FEEFRN
CCCCCCCCC1=C(OC)C(=O)C2=C(NCCS2(=O)=O)C1=O	ZINC000101947706	205967706	/nfs/dbraw/zinc/96/77/06/205967706.db2.gz	YASJXOUOGUCIBD-UHFFFAOYSA-N	0	0	355.456	2.019	1	30		FEEFRN
CC(NCCOc1ccccc1Cl)=C1C(=O)[C@@H]2CCCC(=O)N2C1=O	ZINC000169310876	206248589	/nfs/dbraw/zinc/24/85/89/206248589.db2.gz	PIICNAIOVVALQB-XDUBLRSXSA-N	0	0	362.813	2.073	1	30		FEEFRN
C=C(C)[C@H]1CC=C2C(=O)O[C@H](C/C(C)=C\C(=O)[C@H](OC)CC(=O)C1)[C@H]2O	ZINC000169340933	206252367	/nfs/dbraw/zinc/25/23/67/206252367.db2.gz	WIWLIEUEOQQPHP-PSJPHHKXSA-N	0	0	362.422	2.065	1	30		FEEFRN
Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[n+]([O-])c2ccccc2[n+]1[O-]	ZINC000005810829	204225458	/nfs/dbraw/zinc/22/54/58/204225458.db2.gz	VICWOEASAXXUSB-DHZHZOJOSA-N	0	0	351.318	2.219	1	30		FEEFRN
CCc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F	ZINC000028704405	204887275	/nfs/dbraw/zinc/88/72/75/204887275.db2.gz	UKUAPXUWNVUTGS-YPMHNXCESA-N	0	0	353.300	2.041	1	30		FEEFRN
O=C(Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O)c1cccs1	ZINC000029396202	204899379	/nfs/dbraw/zinc/89/93/79/204899379.db2.gz	RTMHFRZSFWPFTD-UHFFFAOYSA-N	0	0	366.398	2.189	1	30		FEEFRN
O=C(NO)c1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1	ZINC000028461857	204883432	/nfs/dbraw/zinc/88/34/32/204883432.db2.gz	PGGFZBMZJLJSEV-UHFFFAOYSA-N	0	0	364.361	2.427	1	30		FEEFRN
CCCCCCCCCCC(=O)COC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO	ZINC000044117276	205107104	/nfs/dbraw/zinc/10/71/04/205107104.db2.gz	SPKOJOMVUIWVAV-GOEBONIOSA-N	0	0	358.431	2.151	1	30		FEEFRN
C[C@](CCc1ccc(OC2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O	ZINC000073313011	205569104	/nfs/dbraw/zinc/56/91/04/205569104.db2.gz	WGMNEOKBHBLTGZ-KRWDZBQOSA-N	0	0	355.456	2.249	1	30		FEEFRN
CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(CCC#N)c2n1	ZINC000004239089	204128684	/nfs/dbraw/zinc/12/86/84/204128684.db2.gz	QYYMAUCYPRLJEW-UHFFFAOYSA-N	0	0	354.801	2.487	1	30		FEEFRN
N#Cc1nnc2c3c(nn2c1N)[nH]c(=O)c(C#N)c3-c1ccc(Cl)cc1	ZINC000006536270	204252066	/nfs/dbraw/zinc/25/20/66/204252066.db2.gz	NTJFZBYVIMRRHR-UHFFFAOYSA-N	0	0	362.740	2.024	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@H](O)c3ccccc3)C(=O)[C@@]21C	ZINC000096903242	205884971	/nfs/dbraw/zinc/88/49/71/205884971.db2.gz	PDKZCKXVSJGPRP-WCDFZUSKSA-N	0	0	368.429	2.494	1	30		FEEFRN
O=C(/C=N/[O-])c1cnc(OCC2CC[NH+](Cc3ccccc3)CC2)nc1	ZINC000149695176	206141349	/nfs/dbraw/zinc/14/13/49/206141349.db2.gz	GVEKMFDYSIPXNN-WSDLNYQXSA-N	0	0	354.410	2.410	1	30		FEEFRN
COCCN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12	ZINC000169310679	206248629	/nfs/dbraw/zinc/24/86/29/206248629.db2.gz	KPKFBZFHTVBXOB-KRWDZBQOSA-N	0	0	352.438	2.198	1	30		FEEFRN
CC[C@H]1C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O	ZINC000004102405	560196945	/nfs/dbraw/zinc/19/69/45/560196945.db2.gz	VWVDRJWACDDRKD-SECFAUQFSA-N	0	0	368.470	2.183	1	30	in-vitro	FEEFRN
C=C1[C@@H](O)[C@]23C[C@H]1C(=O)C[C@H]2[C@@]12[C@H]4[C@@H]3C[C@@H]1[C@@]1(C)CC[C@@H]2O[C@H]1N4CC	ZINC000070451118	291048313	/nfs/dbraw/zinc/04/83/13/291048313.db2.gz	YSSPOBAEOOLGAT-LZPCMIAMSA-N	0	0	355.478	2.364	1	30	biogenic,in-vitro	FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000137005147	203822976	/nfs/dbraw/zinc/82/29/76/203822976.db2.gz	DZTWAOVNNLDWNH-OUWGJGOXSA-N	0	0	362.422	2.221	1	30		FEEFRN
C[C@H]1CCC[C@]2(O[C@@H]3CC(=O)O[C@@H]3C3=C2C(=O)c2ccccc2C3=O)O1	ZINC000017211223	204652283	/nfs/dbraw/zinc/65/22/83/204652283.db2.gz	OEUYGKAVYFGZFF-DLVGZBSQSA-N	0	0	354.358	2.362	1	30		FEEFRN
C/C1=C/CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4	ZINC000028477115	204882922	/nfs/dbraw/zinc/88/29/22/204882922.db2.gz	HXNQQVVTMAHKGR-JEGKFGHNSA-N	0	0	350.455	2.298	1	30		FEEFRN
C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCO)[C@H]1O[C@@H]3C[C@H]42	ZINC000169312930	206250000	/nfs/dbraw/zinc/25/00/00/206250000.db2.gz	QTEVWMFKQLIKPI-YCGNQCEPSA-N	0	0	371.477	2.284	1	30		FEEFRN
C=C(C)[C@H]1CC=C2C(=O)O[C@H](C/C(C)=C\C(=O)[C@H](OC)CC(=O)C1)[C@H]2O	ZINC000169340930	206251690	/nfs/dbraw/zinc/25/16/90/206251690.db2.gz	WIWLIEUEOQQPHP-JMRYMSBCSA-N	0	0	362.422	2.065	1	30		FEEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O[C@@H]2OC	ZINC000095910151	291047611	/nfs/dbraw/zinc/04/76/11/291047611.db2.gz	ZRXOXYAHFDNILZ-JYNZHCRNSA-N	0	0	362.466	2.057	1	30	biogenic,in-vitro	FEEFRN
C=CCn1c2[nH]c(-c3ccc(Cl)cc3N)nc2c(=O)n(CC=C)c1=O	ZINC000026019089	203867171	/nfs/dbraw/zinc/86/71/71/203867171.db2.gz	LEYUNGYTDRALAW-UHFFFAOYSA-N	0	0	357.801	2.161	1	30		FEEFRN
COc1ccc([C@@H]2NC3=C(CCCC3)[C@@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1	ZINC000005924183	204230656	/nfs/dbraw/zinc/23/06/56/204230656.db2.gz	HXZAFDZRTPBTFB-FFZOFVMBSA-N	0	0	361.405	2.085	1	30		FEEFRN
COCCN(CCOC)C(=O)ONC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000096285643	205870921	/nfs/dbraw/zinc/87/09/21/205870921.db2.gz	GXIYXZOVTHXDIZ-UHFFFAOYSA-N	0	0	368.474	2.356	1	30		FEEFRN
C=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@](C)(O)CC[C@@]12O	ZINC000103225754	222325950	/nfs/dbraw/zinc/32/59/50/222325950.db2.gz	QWQCCBLIKLMUJQ-AIZJHLRRSA-N	0	0	352.471	2.002	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000100780343	571832826	/nfs/dbraw/zinc/83/28/26/571832826.db2.gz	ZMXFZZOCUKHAFO-XIORVOIMSA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000100780345	571832910	/nfs/dbraw/zinc/83/29/10/571832910.db2.gz	ZMXFZZOCUKHAFO-ZGWAZDSUSA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN
CC#CCOc1ccc([S@](=O)[C@@H](C(=O)NO)c2ccc(OC)cc2)cc1	ZINC000013585987	581093825	/nfs/dbraw/zinc/09/38/25/581093825.db2.gz	PCASIOOVBSODBH-WXTAPIANSA-N	0	0	373.430	2.452	1	30		FEEFRN
CC(=O)/N=c1\c(C#N)cc2c(nc3ccccn3c2=O)n1Cc1ccccc1	ZINC000003180159	204080261	/nfs/dbraw/zinc/08/02/61/204080261.db2.gz	BDSYBCMDCLKRGK-FCDQGJHFSA-N	0	0	369.384	2.016	1	30		FEEFRN
N/C(=N\O)c1ccc(-c2cnc(-c3ccc(/C(N)=N/O)nc3)s2)cc1	ZINC000049109350	205168971	/nfs/dbraw/zinc/16/89/71/205168971.db2.gz	MFPMZUTZXDDMHU-UHFFFAOYSA-N	0	0	354.395	2.061	1	30		FEEFRN
Cc1ccc2c(C=NNC(=N)N)cn(S(=O)(=O)c3ccccc3)c2c1	ZINC000064559742	205300439	/nfs/dbraw/zinc/30/04/39/205300439.db2.gz	FLVAEJOPNBXRFZ-KEBDBYFISA-N	0	0	355.423	2.004	1	30		FEEFRN
N/C(=N/O)c1ccc(-c2cnc(-c3ccc(/C(N)=N/O)cc3)s2)cn1	ZINC000049783965	221027951	/nfs/dbraw/zinc/02/79/51/221027951.db2.gz	FTPGYDVXWLKWEI-UHFFFAOYSA-N	0	0	354.395	2.061	1	30		FEEFRN
C=C(Cl)COc1cc(-n2nnc3c(cnn3C)c2=O)c(F)cc1Cl	ZINC000103288648	222331548	/nfs/dbraw/zinc/33/15/48/222331548.db2.gz	TVEKYYDBCCGMMA-UHFFFAOYSA-N	0	0	370.171	2.438	1	30		FEEFRN
CCS(=O)(=O)c1ccc(OC)c(NN=C2C=CC(=O)c3ncccc32)c1	ZINC000103793315	222344107	/nfs/dbraw/zinc/34/41/07/222344107.db2.gz	PEEXDFVUOCBJPK-XSFVSMFZSA-N	0	0	371.418	2.453	3	30		FEEFRN
COc1cc2c(cc1OC)[C@]13C=C(OC)C(=O)C=C1[C@H](C2)[N+](C)([O-])CC3	ZINC000015216566	717111438	/nfs/dbraw/zinc/11/14/38/717111438.db2.gz	UBUTZAUJMGZCAW-XABNSEFBSA-N	0	0	357.406	2.254	1	30		FEEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@@H](C)C[C@]1(O)C=C(C)[C@@H]2O1	ZINC000257378915	291047247	/nfs/dbraw/zinc/04/72/47/291047247.db2.gz	APAGAPSSCPWRAW-DOOFQRQISA-N	0	0	362.422	2.426	1	30	biogenic	FEEFRN
COC1(C#C[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1	ZINC000013783022	203856399	/nfs/dbraw/zinc/85/63/99/203856399.db2.gz	BQIZFVANVXCUDO-OKZBNKHCSA-N	0	0	350.411	2.158	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\COC(=O)CC(C)C)CCC=C(CO)C(=O)C[C@@H]12	ZINC000014809529	203883080	/nfs/dbraw/zinc/88/30/80/203883080.db2.gz	PYXDBFWTGFQZMF-YPBVGDQYSA-N	0	0	362.422	2.272	1	30	biogenic	FEEFRN
CC(C)=CC[C@H](OC(=O)[C@H]1O[C@@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000040379358	205067872	/nfs/dbraw/zinc/06/78/72/205067872.db2.gz	JFAQZHIETYMALG-XAILHKCVSA-N	0	0	372.373	2.459	1	30		FEEFRN
Cc1ccc(S(=O)(=O)N2Cc3cnnn3-c3ccccc3[C@H]2C#N)cc1	ZINC000061942523	205290130	/nfs/dbraw/zinc/29/01/30/205290130.db2.gz	LRVQSRLZMKVDSY-GOSISDBHSA-N	0	0	365.418	2.345	3	30		FEEFRN
CCOC(=O)[C@@H]1SC(NC(=S)NC(=O)c2ccccc2)=N[C@@H]1C	ZINC000066112235	205364268	/nfs/dbraw/zinc/36/42/68/205364268.db2.gz	MZPBECCLKHKXBO-MWLCHTKSSA-N	0	0	351.453	2.125	1	30		FEEFRN
C=CCNC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O	ZINC000169304700	206249301	/nfs/dbraw/zinc/24/93/01/206249301.db2.gz	CARYQVUASOIQOL-UHFFFAOYSA-N	0	0	374.443	2.093	1	30		FEEFRN
COc1cc2c(c(O)c1OC)[C@]13C=CC(=O)C=C1[C@H](CC2)[N+](C)([O-])CC3	ZINC000238766287	717163137	/nfs/dbraw/zinc/16/31/37/717163137.db2.gz	FPIQIJCBIHOVFB-XABNSEFBSA-N	0	0	357.406	2.375	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3	ZINC000095911851	291047248	/nfs/dbraw/zinc/04/72/48/291047248.db2.gz	BZLSCTYZIPOOPI-DKZMWUPRSA-N	0	0	360.406	2.346	1	30	biogenic,in-vitro	FEEFRN
COc1cc(C[C@@H](C)NCC#N)c(OC)cc1I	ZINC000026016425	204845668	/nfs/dbraw/zinc/84/56/68/204845668.db2.gz	AVLNTNJPZAAKTA-SECBINFHSA-N	0	0	360.195	2.353	1	30		FEEFRN
COC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)NO	ZINC000029134802	204895270	/nfs/dbraw/zinc/89/52/70/204895270.db2.gz	ZSKKLMIULIVRSI-PXNSSMCTSA-N	0	0	355.390	2.493	1	30		FEEFRN
CN(C)c1ccc(C(=O)NC[C@H](CNC(=O)CS)c2ccccc2)cc1	ZINC000028331253	204880653	/nfs/dbraw/zinc/88/06/53/204880653.db2.gz	ZELVORJTSARENK-KRWDZBQOSA-N	0	0	371.506	2.312	1	30		FEEFRN
CCCCCCCCCCC(=O)COC1C(=O)C(=O)O[C@H]1[C@@H](O)CO	ZINC000044117279	205106363	/nfs/dbraw/zinc/10/63/63/205106363.db2.gz	SPKOJOMVUIWVAV-HOCLYGCPSA-N	0	0	358.431	2.151	1	30		FEEFRN
Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCN2CCOCC2)c1C	ZINC000049089031	205168780	/nfs/dbraw/zinc/16/87/80/205168780.db2.gz	HDZJMUKQTFZUGE-VOTSOKGWSA-N	0	0	370.453	2.018	1	30		FEEFRN
CC(NCCOc1ccccc1)=C1C(=O)[C@@H]2CO[C@@H](C(C)(C)C)N2C1=O	ZINC000169310874	206249350	/nfs/dbraw/zinc/24/93/50/206249350.db2.gz	USWOHHCBVXQXAN-BGHBSNEPSA-N	0	0	358.438	2.111	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@H]12	ZINC000015157886	571733532	/nfs/dbraw/zinc/73/35/32/571733532.db2.gz	DZTWAOVNNLDWNH-FSWKEFEPSA-N	0	0	362.422	2.221	1	30	endogenous,in-man	FEEFRN
C[C@H]1C[C@@H](O)[C@@]2(CO)[C@@H](CCC[C@@]23CO3)[C@]1(C)[C@H]1C[C@@H]2C=CO[C@@H]2O1	ZINC000033830242	291053353	/nfs/dbraw/zinc/05/33/53/291053353.db2.gz	ZZWVUOZCWCQZRE-WHAPMINKSA-N	0	0	350.455	2.216	1	30	biogenic,in-vitro	FEEFRN
CC[C@H](C)[C@@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)OC	ZINC000102979772	209245694	/nfs/dbraw/zinc/24/56/94/209245694.db2.gz	MCEPTKKEKKEPDQ-WPPNPWJKSA-N	0	0	367.785	2.105	1	30		FEEFRN
Cn1cc(C(=O)NO)c(Nc2ccc(Br)cc2F)c(F)c1=O	ZINC000013679356	220085046	/nfs/dbraw/zinc/08/50/46/220085046.db2.gz	QIYMFXDFYUBGAT-UHFFFAOYSA-N	0	0	374.141	2.289	1	30		FEEFRN
C=C1CC[C@]2(C)[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1\C(=O)OC[C@H]1O	ZINC000059587356	291047807	/nfs/dbraw/zinc/04/78/07/291047807.db2.gz	CZHGVFJOLGCRFM-HSSNPFOKSA-N	0	0	364.482	2.353	1	30	biogenic,in-vitro	FEEFRN
CC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O	ZINC000007992542	206731727	/nfs/dbraw/zinc/73/17/27/206731727.db2.gz	DUCQSFOKMHSULU-RYQLBKOJSA-N	0	0	350.317	2.135	1	30		FEEFRN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC#Cc3ccccc3C#CCC2)cc1	ZINC000027982116	206751481	/nfs/dbraw/zinc/75/14/81/206751481.db2.gz	AIWBQXDDASAVST-UHFFFAOYSA-N	0	0	366.398	2.392	1	30		FEEFRN
CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1	ZINC000004239119	207008557	/nfs/dbraw/zinc/00/85/57/207008557.db2.gz	YOMDHWUAIUQTDE-UHFFFAOYSA-N	0	0	356.336	2.111	1	30		FEEFRN
N/C(=N/O)c1ccc(-c2ncc(-c3ccc(/C(N)=N/O)cc3)s2)nc1	ZINC000049069410	208412990	/nfs/dbraw/zinc/41/29/90/208412990.db2.gz	SDMZWWMDXHCCED-UHFFFAOYSA-N	0	0	354.395	2.061	1	30		FEEFRN
Cc1ccc(S(=O)(=O)N2Cc3cnnn3-c3ccccc3[C@@H]2C#N)cc1	ZINC000061942522	208602059	/nfs/dbraw/zinc/60/20/59/208602059.db2.gz	LRVQSRLZMKVDSY-SFHVURJKSA-N	0	0	365.418	2.345	3	30		FEEFRN
Cc1ccccc1S(=O)(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1	ZINC000072177141	208825394	/nfs/dbraw/zinc/82/53/94/208825394.db2.gz	OBRYEOWKEAMGII-VQHVLOKHSA-N	0	0	358.419	2.218	1	30		FEEFRN
O=S1(=O)N=C(N(CCO)/N=C\C=C\c2ccccc2)c2ccccc21	ZINC000015974064	527316219	/nfs/dbraw/zinc/31/62/19/527316219.db2.gz	JYVLEFNEUSXBMY-MUFYDRSQSA-N	0	0	355.419	2.129	1	30		FEEFRN
N#Cc1cc([C@H]2C3=C(CCCC3=O)NC3=CCS(=O)(=O)C32)ccc1F	ZINC000103303534	209252223	/nfs/dbraw/zinc/25/22/23/209252223.db2.gz	NZSMULPRYLEZCN-INIZCTEOSA-N	0	0	358.394	2.421	1	30		FEEFRN
COc1cc(C=NN2C(=S)N=NC2c2n[nH]c3c2CCC3)ccc1O	ZINC000002449648	206915751	/nfs/dbraw/zinc/91/57/51/206915751.db2.gz	VDULJFTWNBLDMB-IUXPMGMMSA-N	0	0	356.411	2.042	1	30		FEEFRN
COc1ccc(S(=O)(=O)N(CCC2CCCCC2)CC(=O)NO)cc1	ZINC000013764078	207485017	/nfs/dbraw/zinc/48/50/17/207485017.db2.gz	SFKKAERKHIUEOG-UHFFFAOYSA-N	0	0	370.471	2.162	1	30		FEEFRN
O=C1C=C(N2CC2)C(=O)c2cccc(OS(=O)(=O)c3ccc(F)cc3)c21	ZINC000029389837	207989236	/nfs/dbraw/zinc/98/92/36/207989236.db2.gz	FFEIEWOWVDWYHS-UHFFFAOYSA-N	0	0	373.361	2.172	1	30		FEEFRN
COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(C[C@@H](O)CO)c2=O	ZINC000038149670	208197690	/nfs/dbraw/zinc/19/76/90/208197690.db2.gz	BUXRKQONBGINRO-CQSZACIVSA-N	0	0	368.364	2.041	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000523042187	291047605	/nfs/dbraw/zinc/04/76/05/291047605.db2.gz	QGMPZWRIDXSGGX-BOLAOMFUSA-N	0	0	362.422	2.221	1	30	biogenic	FEEFRN
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C(=O)CC#N)C1	ZINC000096270813	209148745	/nfs/dbraw/zinc/14/87/45/209148745.db2.gz	BKVMTNCJXJBZBI-VXGBXAGGSA-N	0	0	352.398	2.043	1	30		FEEFRN
C[C@H]1CCC[C@]2(O[C@H]3CC(=O)O[C@@H]3C3=C2C(=O)c2ccccc2C3=O)O1	ZINC000006481121	207142683	/nfs/dbraw/zinc/14/26/83/207142683.db2.gz	OEUYGKAVYFGZFF-DKGWNKQBSA-N	0	0	354.358	2.362	1	30		FEEFRN
Cc1ccc2c(c1Cl)C(=NNc1ccc(S(N)(=O)=O)cc1)C(=O)N2	ZINC000013470476	207460920	/nfs/dbraw/zinc/46/09/20/207460920.db2.gz	BNAYALSWOQOGRV-UHFFFAOYSA-N	0	0	364.814	2.064	1	30		FEEFRN
N#CC1(C#N)N[C@@H](c2cccs2)C(C#N)(C#N)N[C@H]1c1cccs1	ZINC000019365554	207664831	/nfs/dbraw/zinc/66/48/31/207664831.db2.gz	BSQDLFOCPMYZAE-KBPBESRZSA-N	0	0	350.432	2.357	1	30		FEEFRN
O=C1Nc2ccccc2/C1=N/NC(=S)N1CCN(c2ccccc2)CC1	ZINC000096908842	132226348	/nfs/dbraw/zinc/22/63/48/132226348.db2.gz	IAOUSZLFVAGBAP-UHFFFAOYSA-N	0	0	365.462	2.040	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C[C@@H](C)CO)[C@@H]12	ZINC000257382753	291046673	/nfs/dbraw/zinc/04/66/73/291046673.db2.gz	AZJBNIAMAOUEAH-DPHUBDNNSA-N	0	0	364.438	2.063	1	30	biogenic	FEEFRN
Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2[n+]1[O-]	ZINC000150561110	209385565	/nfs/dbraw/zinc/38/55/65/209385565.db2.gz	CIXJMEVSKKITOB-MDZDMXLPSA-N	0	0	351.318	2.219	1	30		FEEFRN
C=C(C)[C@H]1CC=C2C(=O)O[C@H](C/C(C)=C\C(=O)[C@H](OC)CC(=O)C1)[C@H]2O	ZINC000140283970	209378494	/nfs/dbraw/zinc/37/84/94/209378494.db2.gz	WIWLIEUEOQQPHP-NOMAXEBQSA-N	0	0	362.422	2.065	1	30		FEEFRN
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO	ZINC000118912527	209349095	/nfs/dbraw/zinc/34/90/95/209349095.db2.gz	PIDANAQULIKBQS-UXDCFRQJSA-N	0	0	372.461	2.012	1	30		FEEFRN
COc1ccc(C=NN2C(=S)N=NC2c2n[nH]c3c2CCC3)cc1OC	ZINC000015987598	207576699	/nfs/dbraw/zinc/57/66/99/207576699.db2.gz	LUKXAZWIBNZGCK-NVMNQCDNSA-N	0	0	370.438	2.345	1	30		FEEFRN
N#Cc1cc2cc3c(cc2nc1NCCNC(=O)c1ccncc1)OCO3	ZINC000035311933	208120630	/nfs/dbraw/zinc/12/06/30/208120630.db2.gz	HJOZBOMJMPOFBA-UHFFFAOYSA-N	0	0	361.361	2.072	1	30		FEEFRN
CCCCCCCCC#Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000043589873	208307157	/nfs/dbraw/zinc/30/71/57/208307157.db2.gz	XWOZZHXXESHULU-GVDBMIGSSA-N	0	0	366.433	2.257	1	30		FEEFRN
CC(=O)N1c2ccccc2[C@@]2(C1=O)C1=C(CN2C)C(=O)c2ccccc2C1=O	ZINC000073315077	208879248	/nfs/dbraw/zinc/87/92/48/208879248.db2.gz	GGQUSGUQOYGNEW-QFIPXVFZSA-N	0	0	372.380	2.096	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H]12	ZINC000523042119	291047598	/nfs/dbraw/zinc/04/75/98/291047598.db2.gz	NUBGOYZTSZAMIY-VKRVESGXSA-N	0	0	362.422	2.221	1	30	biogenic	FEEFRN
COCCNC(=O)N1[C@@H]2CC[C@H]1CC(c1cccc(C#N)c1)=C2C(=O)OC	ZINC000036388594	208160760	/nfs/dbraw/zinc/16/07/60/208160760.db2.gz	INPLCZSYSGERBY-DOTOQJQBSA-N	0	0	369.421	2.078	3	30		FEEFRN
CCC(=O)N1CCC(c2ccc(C(=O)N=C(N)N)cc2C(F)(F)F)CC1	ZINC000095556722	209081007	/nfs/dbraw/zinc/08/10/07/209081007.db2.gz	VQGJOZLBMBECDD-UHFFFAOYSA-N	0	0	370.375	2.235	1	30		FEEFRN
C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@@H](c1ccoc1)O[C@H]3O2	ZINC000095914493	291053158	/nfs/dbraw/zinc/05/31/58/291053158.db2.gz	CYIQXXCGDFOHBI-BPWVFOEISA-N	0	0	358.390	2.439	1	30	biogenic,in-vitro	FEEFRN
CC(=N\N)/C(C)=N/N=C(C)/C(C)=N/N=C(C)\C(C)=N\N=C(C)\C(C)=N\N	ZINC000195492920	209615788	/nfs/dbraw/zinc/61/57/88/209615788.db2.gz	GHPCVUWIQLXMNZ-YGMHZSQESA-N	0	0	360.470	2.166	1	30		FEEFRN
O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc(OCCO)c3)C12	ZINC000101466681	209225929	/nfs/dbraw/zinc/22/59/29/209225929.db2.gz	NUSGVFGBRJCICH-INIZCTEOSA-N	0	0	352.415	2.184	1	30		FEEFRN
N=C(N)Nc1nc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cs1	ZINC000026155994	207908816	/nfs/dbraw/zinc/90/88/16/207908816.db2.gz	UCOCJMZMFKXXIA-UHFFFAOYSA-N	0	0	354.367	2.188	1	30		FEEFRN
CCCn1c2[nH]c(C34CCC(C=O)(CC3)CC4)nc2c(=O)n(CCC)c1=O	ZINC000034034199	208102512	/nfs/dbraw/zinc/10/25/12/208102512.db2.gz	SQUUDKCIIGURPO-UHFFFAOYSA-N	0	0	372.469	2.497	1	30		FEEFRN
CCCCCCCCCCC(=O)COC1C(=O)C(=O)O[C@H]1[C@H](O)CO	ZINC000044117271	208311271	/nfs/dbraw/zinc/31/12/71/208311271.db2.gz	SPKOJOMVUIWVAV-ZBFHGGJFSA-N	0	0	358.431	2.151	1	30		FEEFRN
COc1c(/C(N)=N/O)cccc1-c1cc(-c2ccc(/C(N)=N/O)cc2)no1	ZINC000103224402	209249970	/nfs/dbraw/zinc/24/99/70/209249970.db2.gz	XNUBMDPUWFFQMT-UHFFFAOYSA-N	0	0	367.365	2.206	1	30		FEEFRN
O=C1C[C@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)c1ccc(F)cc1	ZINC000100793558	209218061	/nfs/dbraw/zinc/21/80/61/209218061.db2.gz	FRGJIBCZMCBUEU-ZDUSSCGKSA-N	0	0	363.366	2.064	1	30		FEEFRN
CN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C	ZINC000028384394	207963083	/nfs/dbraw/zinc/96/30/83/207963083.db2.gz	WEXQBXKYKJRFSG-UHFFFAOYSA-N	0	0	369.162	2.340	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12	ZINC000015157885	571733602	/nfs/dbraw/zinc/73/36/02/571733602.db2.gz	DZTWAOVNNLDWNH-ZCUJDSNGSA-N	0	0	362.422	2.221	1	30	endogenous,in-man	FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CCC)nn3)CC(=O)[C@@]21C	ZINC000169351057	210175001	/nfs/dbraw/zinc/17/50/01/210175001.db2.gz	UWOABYPXDSMZTB-HLUYVDKTSA-N	0	0	373.453	2.010	1	30		FEEFRN
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC[C@H]1C(=O)OC[C@H]1O	ZINC000028349389	210163439	/nfs/dbraw/zinc/16/34/39/210163439.db2.gz	IVXCEOGAEAIXET-VWODBBQFSA-N	0	0	352.471	2.043	1	30		FEEFRN
C#CCCCO[C@H]1C=C2CC[N@@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5	ZINC000103269022	210108360	/nfs/dbraw/zinc/10/83/60/210108360.db2.gz	GTMPVPXXJONGON-UWHLTILDSA-N	0	0	353.418	2.186	1	30		FEEFRN
C=CC[C@]1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O	ZINC000095552123	210085234	/nfs/dbraw/zinc/08/52/34/210085234.db2.gz	XOFGLRKYNSZCQZ-AWEZNQCLSA-N	0	0	366.299	2.390	1	30		FEEFRN
C=C(C)[C@@H]1CC(=O)C[C@@H]2O[C@](C)(CC2=O)C[C@@H]2C=C(C(=O)O2)[C@@H](OC)C1	ZINC000040876438	210046535	/nfs/dbraw/zinc/04/65/35/210046535.db2.gz	ZLDOSIVXLFPCIZ-YMPZZIEYSA-N	0	0	362.422	2.305	1	30		FEEFRN
Cc1ccc(S(=O)(=O)n2cc(C=NNC(=N)N)c3ccccc32)cc1	ZINC000064560622	212040980	/nfs/dbraw/zinc/04/09/80/212040980.db2.gz	VTAFRMCOOSLTMG-KEBDBYFISA-N	0	0	355.423	2.004	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)C/C(C)=C\C(=O)/C=C(\C)[C@@H]2O	ZINC000102960373	222314790	/nfs/dbraw/zinc/31/47/90/222314790.db2.gz	VUURQISRHJCAJY-HVQYRQBMSA-N	0	0	360.406	2.189	3	30		FEEFRN
O=S(=O)(N/N=C/c1cccc[n+]1[O-])c1ccc2c(c1)Cc1ccccc1-2	ZINC000169324664	222561101	/nfs/dbraw/zinc/56/11/01/222561101.db2.gz	ORWLGBAITYTMKL-DEDYPNTBSA-N	0	0	365.414	2.204	1	30		FEEFRN
COc1ccc([C@@H]2NC3=C(CCCC3)[C@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1	ZINC000195414211	222622423	/nfs/dbraw/zinc/62/24/23/222622423.db2.gz	HXZAFDZRTPBTFB-PWIZWCRZSA-N	0	0	361.405	2.085	1	30		FEEFRN
COc1cc2c(cc1OC)-c1[nH]nc(C#Cc3ccc(C(N)=O)cc3)c1C2	ZINC000028954396	210165991	/nfs/dbraw/zinc/16/59/91/210165991.db2.gz	NIAKCLPBSMWCIY-UHFFFAOYSA-N	0	0	359.385	2.497	1	30		FEEFRN
C=CCS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1	ZINC000028648953	210165682	/nfs/dbraw/zinc/16/56/82/210165682.db2.gz	AFGMPGZOXBNBRR-UHFFFAOYSA-N	0	0	356.425	2.191	1	30		FEEFRN
C=C1C(=O)O[C@@H]2C/C(CO)=C\CC[C@@H](CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000028637544	210165279	/nfs/dbraw/zinc/16/52/79/210165279.db2.gz	OOKRHFBXNRLUNX-XBGVIYRFSA-N	0	0	364.438	2.063	1	30		FEEFRN
C=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1	ZINC000013803455	210143516	/nfs/dbraw/zinc/14/35/16/210143516.db2.gz	CYBDDZKSRZPTQR-QGZVFWFLSA-N	0	0	374.418	2.304	1	30		FEEFRN
C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)CCC/C(C)=C\CC[C@@]2(C)O	ZINC000005845222	210105365	/nfs/dbraw/zinc/10/53/65/210105365.db2.gz	BUWBYKNJAXDGRB-JJFWNEBZSA-N	0	0	352.471	2.494	1	30		FEEFRN
C=CCNC(=S)N1Cc2cnnn2-c2ccc(Br)cc2C1	ZINC000072136617	210066918	/nfs/dbraw/zinc/06/69/18/210066918.db2.gz	IFZNIJQMHDAFJX-UHFFFAOYSA-N	0	0	364.272	2.406	3	30		FEEFRN
C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@@H](CC(=O)C1)O2	ZINC000040392624	210044306	/nfs/dbraw/zinc/04/43/06/210044306.db2.gz	CCRQLJVTUBLUBL-ADOWRXFUSA-N	0	0	362.422	2.497	1	30		FEEFRN
C[C@@H](C(=O)NO)N1CCCN(c2ccc(OCc3ccccn3)cc2)C1=O	ZINC000040378979	136119681	/nfs/dbraw/zinc/11/96/81/136119681.db2.gz	CXGYASCJPNLMRT-AWEZNQCLSA-N	0	0	370.409	2.187	1	30		FEEFRN
O=C(C=C1NC[C@H]2c3ccccc3CCN2C1=O)c1cccc([N+](=O)[O-])c1	ZINC000096934342	222143031	/nfs/dbraw/zinc/14/30/31/222143031.db2.gz	FHPJRDARYLKHRJ-PNDHZVEESA-N	0	0	363.373	2.391	1	30		FEEFRN
C/C(=N\NC(N)=S)[C@H](C)Oc1ccc(I)cc1	ZINC000103271202	222330868	/nfs/dbraw/zinc/33/08/68/222330868.db2.gz	SEQFUGHDVHNRSX-QZNXTOQNSA-N	0	0	363.224	2.268	1	30		FEEFRN
NS(=O)(=O)c1ccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)cc1	ZINC000101832497	222285699	/nfs/dbraw/zinc/28/56/99/222285699.db2.gz	SMAJEDPVBPSWJD-VCHYOVAHSA-N	0	0	366.395	2.040	1	30		FEEFRN
C=CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2cc1C3	ZINC000169340694	210175659	/nfs/dbraw/zinc/17/56/59/210175659.db2.gz	BROWNNXHVRFYRI-NRFANRHFSA-N	0	0	360.369	2.246	1	30		FEEFRN
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12	ZINC000029134023	210165478	/nfs/dbraw/zinc/16/54/78/210165478.db2.gz	AFRTUXMOKYWHEU-ASGQFNQVSA-N	0	0	362.422	2.055	1	30		FEEFRN
CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)NO)c2ccccc2)cc1	ZINC000013585976	210144524	/nfs/dbraw/zinc/14/45/24/210144524.db2.gz	XWQYRXPGPDOWAJ-KRWDZBQOSA-N	0	0	359.403	2.109	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H]1O[C@](C)(CCC[C@H]1C)[C@H]2OC(=O)CC(C)C	ZINC000523041709	291046828	/nfs/dbraw/zinc/04/68/28/291046828.db2.gz	DTEQAWCMFIXGNE-HLZOJZCQSA-N	0	0	366.454	2.381	1	30	biogenic	FEEFRN
COc1ccc(CS(=O)(=O)[C@@](C)(Cc2ccccc2)C(=O)NO)cc1	ZINC000013520928	211037303	/nfs/dbraw/zinc/03/73/03/211037303.db2.gz	WJPFHUMULGZBAI-SFHVURJKSA-N	0	0	363.435	2.117	1	30		FEEFRN
C[C@H](C(=O)NO)N1CCCN(c2ccc(OCc3ccccn3)cc2)C1=O	ZINC000040378980	136119715	/nfs/dbraw/zinc/11/97/15/136119715.db2.gz	CXGYASCJPNLMRT-CQSZACIVSA-N	0	0	370.409	2.187	1	30		FEEFRN
Cc1ccc(C)c(S(=O)(=O)N(C)/N=C/c2cnn3ccc(C#N)cc23)c1	ZINC000082150247	221706783	/nfs/dbraw/zinc/70/67/83/221706783.db2.gz	FTMVTSQZJABEAO-RGVLZGJSSA-N	0	0	367.434	2.477	1	30		FEEFRN
O=C(Oc1ccccc1)N1C=CC(=O)[C@H](O)[C@H]1c1ccc2c(c1)OCO2	ZINC000096938197	222143691	/nfs/dbraw/zinc/14/36/91/222143691.db2.gz	APJBFEJHQOAULU-MSOLQXFVSA-N	0	0	353.330	2.415	1	30		FEEFRN
CCCCCCC[NH2+][C@@H](CC(=O)[O-])[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC	ZINC000103272839	222330772	/nfs/dbraw/zinc/33/07/72/222330772.db2.gz	DMVIXNCTVSIURH-ZZTPXLKCSA-N	0	0	359.463	2.281	1	30		FEEFRN
C[C@](O)(COc1ccc(C#N)cc1F)C(=O)N1CCc2c1cccc2C#N	ZINC000169313295	222559456	/nfs/dbraw/zinc/55/94/56/222559456.db2.gz	QIWDCQGAKYSSDT-FQEVSTJZSA-N	0	0	365.364	2.288	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@]1(C)CCC[C@H](C)[C@H]2O	ZINC000015158337	571733638	/nfs/dbraw/zinc/73/36/38/571733638.db2.gz	UMHQHFHQQZZQGN-ADUOKKNRSA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN
COC1(C#C[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)CCCCC1	ZINC000007992109	210134860	/nfs/dbraw/zinc/13/48/60/210134860.db2.gz	BQIZFVANVXCUDO-SQNIBIBYSA-N	0	0	350.411	2.158	1	30		FEEFRN
Cc1nc2ccc(C#C[C@@]3(O)C[C@@H]4CC[C@H]3C4)cc2n1-c1ncnc(N)n1	ZINC000103249644	210108184	/nfs/dbraw/zinc/10/81/84/210108184.db2.gz	QSRKSZPCUAAIHM-QEEYODRMSA-N	0	0	360.421	2.004	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000103581534	291046682	/nfs/dbraw/zinc/04/66/82/291046682.db2.gz	DZTWAOVNNLDWNH-FSDFJLHDSA-N	0	0	362.422	2.221	1	30	biogenic,in-vitro	FEEFRN
COc1c(C#N)c2cc(Cl)c(Cl)cc2n1[C@H]1C[C@H](O)[C@@H](CO)O1	ZINC000028395814	211487461	/nfs/dbraw/zinc/48/74/61/211487461.db2.gz	NYWIOWPXTRAKDN-BFHYXJOUSA-N	0	0	357.193	2.469	1	30		FEEFRN
CCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C=O)CC(C)C	ZINC000013493518	211035716	/nfs/dbraw/zinc/03/57/16/211035716.db2.gz	CBGCAGHTGZOJAW-HOCLYGCPSA-N	0	0	372.462	2.003	1	30		FEEFRN
CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C)nc1	ZINC000095587155	221964565	/nfs/dbraw/zinc/96/45/65/221964565.db2.gz	UAOZWGPKKJVBSQ-BUXKBTBVSA-N	0	0	370.840	2.453	1	30		FEEFRN
Cc1nn(-c2ccc(C3N=NC(=S)O3)cc2)c(=O)n1N=Cc1ccco1	ZINC000098083102	222226687	/nfs/dbraw/zinc/22/66/87/222226687.db2.gz	QWQGOOYPCWUKBU-RQZCQDPDSA-N	0	0	368.378	2.156	1	30		FEEFRN
COc1cc2c(c(OC)c1)[C@@H](/C=C1\Oc3cc(O)cc(O)c3C1=O)C(=O)O2	ZINC000102150556	222291296	/nfs/dbraw/zinc/29/12/96/222291296.db2.gz	OKCWZQNBQJECDI-CBQSTYFFSA-N	0	0	370.313	2.277	1	30		FEEFRN
C=CCNC(=O)[C@@H](C(C)C)N(Cc1ccncc1)C(=O)c1cccnc1	ZINC000028953004	210164984	/nfs/dbraw/zinc/16/49/84/210164984.db2.gz	QZZLYLAQXPSTDD-GOSISDBHSA-N	0	0	352.438	2.446	1	30		FEEFRN
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@H](OCC)CC(=O)[C@@]3(C)[C@H](OC(C)=O)[C@H]12	ZINC000013684997	210144235	/nfs/dbraw/zinc/14/42/35/210144235.db2.gz	CSYMRIFJBJCIHM-OQXDSQQISA-N	0	0	350.411	2.056	1	30		FEEFRN
CC#CCOc1ccc([S@](=O)[C@H](C(=O)NO)c2ccc(OC)cc2)cc1	ZINC000013585982	210143891	/nfs/dbraw/zinc/14/38/91/210143891.db2.gz	PCASIOOVBSODBH-HFJWLAOPSA-N	0	0	373.430	2.452	1	30		FEEFRN
C=CCn1nc(O[C@@H]2c3cc(C#N)ccc3C(=O)C(C)(C)[C@H]2O)ccc1=O	ZINC000013832194	210143570	/nfs/dbraw/zinc/14/35/70/210143570.db2.gz	OZWKTRZIFRSQLU-MJGOQNOKSA-N	0	0	365.389	2.004	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000085676772	291046110	/nfs/dbraw/zinc/04/61/10/291046110.db2.gz	DZTWAOVNNLDWNH-IJMJYROOSA-N	0	0	362.422	2.221	1	30	biogenic	FEEFRN
O=C1[C@H]2C(=C3C(=O)C=C[C@H]2N3Cc2ccccc2)C(O)N1c1ccccc1	ZINC000015769386	211142019	/nfs/dbraw/zinc/14/20/19/211142019.db2.gz	WKEXHQLBCFZJRL-AFYVEPGGSA-N	0	0	358.397	2.184	1	30		FEEFRN
O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc(OCCO)c3)C12	ZINC000101466684	222275497	/nfs/dbraw/zinc/27/54/97/222275497.db2.gz	NUSGVFGBRJCICH-MRXNPFEDSA-N	0	0	352.415	2.184	1	30		FEEFRN
C[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2I)C(=O)[O-]	ZINC000014513914	717110070	/nfs/dbraw/zinc/11/00/70/717110070.db2.gz	MCEBBCIJDLGHBS-LBPRGKRZSA-O	0	0	373.214	2.474	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H]3C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@H]12)O3	ZINC000195464948	210099285	/nfs/dbraw/zinc/09/92/85/210099285.db2.gz	UEFXHAIMDIUNBV-MCIRFLGHSA-N	0	0	362.422	2.221	1	30		FEEFRN
CC1(C)Oc2ccc(C#N)cc2[C@@H](Nc2nc3ccccc3c(=O)[nH]2)[C@@H]1O	ZINC000040392032	211742597	/nfs/dbraw/zinc/74/25/97/211742597.db2.gz	LMYRBYPKJWRLSB-SJORKVTESA-N	0	0	362.389	2.480	1	30		FEEFRN
NC1=CC(=O)c2ccc(-c3[nH]c(CO)cc4c5ccccc5nc3-4)nc2C1=O	ZINC000101481229	222276423	/nfs/dbraw/zinc/27/64/23/222276423.db2.gz	SEYOUNFNRDNKRJ-UHFFFAOYSA-N	0	0	370.368	2.444	1	30		FEEFRN
NC(=S)NN=C1C=C(Nc2ccccc2)C(Nc2ccccc2)=NC1=O	ZINC000169341095	222563619	/nfs/dbraw/zinc/56/36/19/222563619.db2.gz	DRGDSCAKWHTPSA-HAHDFKILSA-N	0	0	364.434	2.222	1	30		FEEFRN
COC(=O)[C@]1(CCC2=CC(=O)OC2O)[C@H](C)CC[C@@H]2C(C)=CC(=O)C[C@@H]21	ZINC000038330887	291050080	/nfs/dbraw/zinc/05/00/80/291050080.db2.gz	XQPLCKJGVRGFJU-MALJTKIDSA-N	0	0	362.422	2.309	1	30	biogenic,in-vitro	FEEFRN
CC(=NNC(=N)N)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12	ZINC000064560163	212040893	/nfs/dbraw/zinc/04/08/93/212040893.db2.gz	MCWHXUCNCJAOOA-FYJGNVAPSA-N	0	0	369.450	2.394	1	30		FEEFRN
Cc1ccc(S(=O)(=O)n2cc(C=NNC(=N)N)c3c2cccc3C)cc1	ZINC000064549252	212038545	/nfs/dbraw/zinc/03/85/45/212038545.db2.gz	JVPPUSJFGJQBOO-UFFVCSGVSA-N	0	0	369.450	2.312	1	30		FEEFRN
CSc1nc(Cl)c(C#N)c(Nc2ccc(S(N)(=O)=O)cc2)n1	ZINC000064526469	212039445	/nfs/dbraw/zinc/03/94/45/212039445.db2.gz	NLZOFAOZKQDCKF-UHFFFAOYSA-N	0	0	355.832	2.115	1	30		FEEFRN
COc1cc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc2c(OC)c1	ZINC000013490066	211035665	/nfs/dbraw/zinc/03/56/65/211035665.db2.gz	LXWHVUKTMMEMCN-UHFFFAOYSA-N	0	0	363.414	2.371	1	30		FEEFRN
CC(=O)OCC1=C[C@@H](OCCC(C)C)O[C@H](COC(=O)C(C)(C)C)C1=O	ZINC000071282437	221338373	/nfs/dbraw/zinc/33/83/73/221338373.db2.gz	BLPCFADUAJJNBV-CVEARBPZSA-N	0	0	370.442	2.422	1	30		FEEFRN
C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N=C3[C@@H]2C[C@@H]1[C@@]4(C=O)C(=O)OC	ZINC000238763373	717162691	/nfs/dbraw/zinc/16/26/91/717162691.db2.gz	CDFHBKIBEYUUMZ-CEOWECDHSA-N	0	0	366.417	2.436	1	30		FEEFRN
C=C[C@@]1(C)C[C@@]2(C=C(CO)[C@@H](O)O2)Oc2c3c(C)cccc3oc(=O)c21	ZINC000034172584	210170278	/nfs/dbraw/zinc/17/02/78/210170278.db2.gz	PBJOCNBYKSMQMJ-IHPCNDPISA-N	0	0	356.374	2.291	1	30		FEEFRN
C=C(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@@H]21	ZINC000013585383	210144451	/nfs/dbraw/zinc/14/44/51/210144451.db2.gz	MIGDGMYQXYALEW-QNIDSSLUSA-N	0	0	350.411	2.260	1	30		FEEFRN
C#CCNC(=O)C1=C[C@@H](c2ccc(C#C)cc2)[C@H](CCCO)[C@@H](OCC)O1	ZINC000013656477	210143586	/nfs/dbraw/zinc/14/35/86/210143586.db2.gz	QMERVGNDZNDKFJ-IPJJNNNSSA-N	0	0	367.445	2.166	3	30		FEEFRN
C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)[C@@H](C)O)=C\C[C@H]12	ZINC000013585337	210143194	/nfs/dbraw/zinc/14/31/94/210143194.db2.gz	JTFXNPPZNWSQAJ-YYASNGMTSA-N	0	0	364.438	2.063	1	30		FEEFRN
C=CCN1C(=O)C(=O)N(CCNc2ccnc3cc(Cl)ccc32)C1=S	ZINC000040878564	210047239	/nfs/dbraw/zinc/04/72/39/210047239.db2.gz	MWHMILGSQAUKLS-UHFFFAOYSA-N	0	0	374.853	2.442	1	30		FEEFRN
CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NO	ZINC000013803859	211059787	/nfs/dbraw/zinc/05/97/87/211059787.db2.gz	UKLIIGXGTPSYBF-KRWDZBQOSA-N	0	0	373.434	2.034	1	30		FEEFRN
N#Cc1nc(Sc2cnsn2)c(Sc2cnsn2)nc1C#N	ZINC000001657690	210364628	/nfs/dbraw/zinc/36/46/28/210364628.db2.gz	RFAGHUAXDUQPNX-UHFFFAOYSA-N	0	0	362.450	2.225	1	30		FEEFRN
C#CCN1C(=O)COc2cc(F)c(N3C(=O)c4cccc(F)c4C3=O)cc21	ZINC000034635132	533144310	/nfs/dbraw/zinc/14/43/10/533144310.db2.gz	XWZUDSLKCNWDNB-UHFFFAOYSA-N	0	0	368.295	2.124	1	30		FEEFRN
CN=C(NC1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1	ZINC000066097232	221240375	/nfs/dbraw/zinc/24/03/75/221240375.db2.gz	LZEKAQJGPXQGQO-UHFFFAOYSA-N	0	0	356.213	2.114	1	30		FEEFRN
CCOC(=O)[C@H]1SC(NC(=S)NC(=O)c2ccccc2)=N[C@@H]1C	ZINC000066112234	221241469	/nfs/dbraw/zinc/24/14/69/221241469.db2.gz	MZPBECCLKHKXBO-KOLCDFICSA-N	0	0	351.453	2.125	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@@H](O)c3ccccc3)C(=O)[C@@]21C	ZINC000096903243	222137579	/nfs/dbraw/zinc/13/75/79/222137579.db2.gz	PDKZCKXVSJGPRP-VOLWTCJWSA-N	0	0	368.429	2.494	1	30		FEEFRN
O=C1c2ccccc2C(=O)C(NCCCn2ccnc2[N+](=O)[O-])=C1Cl	ZINC000102896412	222313419	/nfs/dbraw/zinc/31/34/19/222313419.db2.gz	YUMFNMKMXJOAPY-UHFFFAOYSA-N	0	0	360.757	2.301	1	30		FEEFRN
CNC(=[NH2+])N1C=CC[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@H](C=O)C[C@]32[C@H](C)CC1	ZINC000103524962	291049626	/nfs/dbraw/zinc/04/96/26/291049626.db2.gz	ONVFWWSLKLZNNB-FZIGSOAOSA-N	0	0	357.454	2.383	1	30	biogenic,in-vitro	FEEFRN
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C)cc1	ZINC000013493515	220069261	/nfs/dbraw/zinc/06/92/61/220069261.db2.gz	WNGTUUXLXGGYON-RDJZCZTQSA-N	0	0	368.499	2.028	1	30		FEEFRN
COc1ccc(S(=O)(=O)[C@H](CCc2ccccc2)CC(=O)NO)cc1	ZINC000013782891	220094927	/nfs/dbraw/zinc/09/49/27/220094927.db2.gz	FCCDGLDMUDUABZ-QGZVFWFLSA-N	0	0	363.435	2.366	1	30		FEEFRN
N#CC1(C#N)N[C@@H](c2ccsc2)C(C#N)(C#N)N[C@H]1c1ccsc1	ZINC000019365557	220253047	/nfs/dbraw/zinc/25/30/47/220253047.db2.gz	CSGZDKYEQBLCIM-KBPBESRZSA-N	0	0	350.432	2.357	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)[C@@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C	ZINC000028637178	220578819	/nfs/dbraw/zinc/57/88/19/220578819.db2.gz	IFWDORHLHOVISL-KWWUNGLJSA-N	0	0	364.438	2.184	1	30		FEEFRN
C=CC[C@](C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCCCCCCCC	ZINC000071318745	221343007	/nfs/dbraw/zinc/34/30/07/221343007.db2.gz	IHJNXYFBUQRAMW-AZUAARDMSA-N	0	0	370.534	2.295	1	30		FEEFRN
COC(=O)C1CCN(/C(=N\O)c2cccnc2OCC(F)(F)F)CC1	ZINC000072102457	221404739	/nfs/dbraw/zinc/40/47/39/221404739.db2.gz	YCTBDQBOHWXSDS-NDENLUEZSA-N	0	0	361.320	2.044	1	30		FEEFRN
CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@]14c1ccccc1N=C4[C@@H]1C[C@H]2[C@@H](C=O)[C@H](C)[N+]31[O-]	ZINC000238788503	717163720	/nfs/dbraw/zinc/16/37/20/717163720.db2.gz	BUEIOZQRBAZPHK-QIJASBNMSA-N	0	0	366.417	2.265	1	30		FEEFRN
C/C(=N\NC(N)=S)[C@@H](C)Oc1ccc(I)cc1	ZINC000103271204	222330785	/nfs/dbraw/zinc/33/07/85/222330785.db2.gz	SEQFUGHDVHNRSX-WPIAHNSYSA-N	0	0	363.224	2.268	1	30		FEEFRN
C=CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC	ZINC000101928594	222287331	/nfs/dbraw/zinc/28/73/31/222287331.db2.gz	HLEYJSQUESAVIU-DPEHCCBOSA-N	0	0	357.370	2.358	1	30		FEEFRN
C=C1[C@H]2C[C@@]3([C@@H](O)[C@H]4CC[C@@]5(C)C(=O)O[C@H](O)[C@H]5[C@]4(C)[C@@H]3CC2)[C@H]1OC	ZINC000069482354	291047830	/nfs/dbraw/zinc/04/78/30/291047830.db2.gz	YDAHNBSRNIYZOQ-PKMOMDBXSA-N	0	0	362.466	2.262	1	30	biogenic,in-vitro	FEEFRN
COc1ccc(C(=O)/C(=N\C2CCCC2)n2ncc(C#N)c2N)c(OC)c1	ZINC000299836023	541108271	/nfs/dbraw/zinc/10/82/71/541108271.db2.gz	XVOGPAPNMWKGRQ-FCDQGJHFSA-N	0	0	367.409	2.426	1	30		FEEFRN
N=C(N)Nc1nc(-c2cccc(CNC(=O)C3CCCCC3)n2)cs1	ZINC000013600778	220078187	/nfs/dbraw/zinc/07/81/87/220078187.db2.gz	CGGSFASWEVYBHC-UHFFFAOYSA-N	0	0	358.471	2.307	1	30		FEEFRN
C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2	ZINC000015199742	220149794	/nfs/dbraw/zinc/14/97/94/220149794.db2.gz	CCRQLJVTUBLUBL-PMUKJZIJSA-N	0	0	362.422	2.497	1	30		FEEFRN
Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1-c1cccs1	ZINC000028646592	132374181	/nfs/dbraw/zinc/37/41/81/132374181.db2.gz	JUQRCPGWIXRMDG-UHFFFAOYSA-N	0	0	363.446	2.419	1	30		FEEFRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccccc12	ZINC000082154887	221707335	/nfs/dbraw/zinc/70/73/35/221707335.db2.gz	RUBBXXFQGVQOIZ-LICLKQGHSA-N	0	0	373.394	2.206	1	30		FEEFRN
C=CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1OC	ZINC000101698847	222282729	/nfs/dbraw/zinc/28/27/29/222282729.db2.gz	YJUKSWDGFSKNDG-IDTYTIONSA-N	0	0	357.370	2.358	1	30		FEEFRN
C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000306122086	553748244	/nfs/dbraw/zinc/74/82/44/553748244.db2.gz	PIDANAQULIKBQS-DLAPSOPQSA-N	0	0	372.461	2.012	2	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000040394238	560079029	/nfs/dbraw/zinc/07/90/29/560079029.db2.gz	DZTWAOVNNLDWNH-KNJKHLQXSA-N	0	0	362.422	2.221	1	30	biogenic,in-vitro	FEEFRN
C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O	ZINC000014584805	571712373	/nfs/dbraw/zinc/71/23/73/571712373.db2.gz	ZJZYSAJQOPJREK-HRYFJRSNSA-N	0	0	374.477	2.354	1	30	endogenous,in-man	FEEFRN
C=C1C[C@@H](C[C@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2O)OC1=O	ZINC000015212358	291047804	/nfs/dbraw/zinc/04/78/04/291047804.db2.gz	RYBFLVMGRQCAQI-CFZJUORYSA-N	0	0	358.346	2.297	1	30	biogenic,in-vitro	FEEFRN
Cc1ccccc1NC(=O)/C(=N\NC(N)=S)[C@@H](C#N)c1ccccc1	ZINC000017195631	220210427	/nfs/dbraw/zinc/21/04/27/220210427.db2.gz	MXYRZUFEJRHOSX-DJFNHCPNSA-N	0	0	351.435	2.430	1	30		FEEFRN
C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CC#N)OCO3	ZINC000025987620	220502846	/nfs/dbraw/zinc/50/28/46/220502846.db2.gz	WDZUIJUSJQYJTA-GFCCVEGCSA-N	0	0	362.389	2.437	1	30		FEEFRN
N#Cc1ccc(Cn2cncc2CN[C@H]2CCN(c3cccnc3)C2=O)cc1	ZINC000013863861	581101002	/nfs/dbraw/zinc/10/10/02/581101002.db2.gz	ZRVKNPIDTYYJCE-FQEVSTJZSA-N	0	0	372.432	2.093	1	30		FEEFRN
COC1(C#C[C@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1	ZINC000007992108	219841089	/nfs/dbraw/zinc/84/10/89/219841089.db2.gz	BQIZFVANVXCUDO-FGTMMUONSA-N	0	0	350.411	2.158	1	30		FEEFRN
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)[C@H](C)S	ZINC000013732001	220091335	/nfs/dbraw/zinc/09/13/35/220091335.db2.gz	CRNLQLRVDDAGHI-JQFCIGGWSA-N	0	0	366.527	2.449	1	30		FEEFRN
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)NO	ZINC000013808311	220096175	/nfs/dbraw/zinc/09/61/75/220096175.db2.gz	NEUXHEKNAOUEQU-UHFFFAOYSA-N	0	0	362.317	2.273	1	30		FEEFRN
N#Cc1cccc(S(=O)(=O)N2CCc3nc(-c4ccccn4)oc3C2)c1	ZINC000064539980	221147617	/nfs/dbraw/zinc/14/76/17/221147617.db2.gz	PBBBROYNRREGQM-UHFFFAOYSA-N	0	0	366.402	2.355	1	30		FEEFRN
O=C(CCC1=CCCN(CCc2ccc(Br)cc2)C1=O)NO	ZINC000064528284	221147699	/nfs/dbraw/zinc/14/76/99/221147699.db2.gz	AYSPYJLUWBBEFG-UHFFFAOYSA-N	0	0	367.243	2.436	1	30		FEEFRN
CSC[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NO	ZINC000096910103	222137510	/nfs/dbraw/zinc/13/75/10/222137510.db2.gz	NWSLEANMQXXLAC-KRWDZBQOSA-N	0	0	354.431	2.053	1	30		FEEFRN
COc1cc(-c2nc(=S)n3nc(C)[n-]c3c2C#N)cc(OC)c1OC	ZINC000096932753	222142663	/nfs/dbraw/zinc/14/26/63/222142663.db2.gz	OFKJNMUSHITNGV-UHFFFAOYSA-N	0	0	357.395	2.286	1	30		FEEFRN
CC(C)(C)[C@H]1CS(=O)(=O)[C@@](C)(c2ccc(C#N)cc2)S(=O)(=O)C1	ZINC000101450460	222275372	/nfs/dbraw/zinc/27/53/72/222275372.db2.gz	MGTVULONPCDLHC-KOMQPUFPSA-N	0	0	355.481	2.236	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\C)[C@@H](OC(=O)[C@@](C)(O)CC)C[C@@H]12	ZINC000101513229	222277567	/nfs/dbraw/zinc/27/75/67/222277567.db2.gz	QFUNFKDZAWYCRV-BHXPJQOVSA-N	0	0	364.438	2.445	1	30		FEEFRN
O=C1[C@@H]2C(=C3C(=O)C=C[C@@H]2N3Cc2ccccc2)C(O)N1c1ccccc1	ZINC000105409245	222368420	/nfs/dbraw/zinc/36/84/20/222368420.db2.gz	WKEXHQLBCFZJRL-FFGOWVMKSA-N	0	0	358.397	2.184	3	30		FEEFRN
CC(C)(C)N1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	ZINC000028120320	220558541	/nfs/dbraw/zinc/55/85/41/220558541.db2.gz	NYNUGSDRGOYXKP-SFHVURJKSA-N	0	0	356.403	2.156	1	30		FEEFRN
CON=C(NC1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1	ZINC000066112957	221241043	/nfs/dbraw/zinc/24/10/43/221241043.db2.gz	SZVHOAKVKXIWHN-UHFFFAOYSA-N	0	0	372.212	2.046	1	30		FEEFRN
C#CCNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c21	ZINC000071295943	221341912	/nfs/dbraw/zinc/34/19/12/221341912.db2.gz	LTOOSUBYNLLHOM-UHFFFAOYSA-N	0	0	363.402	2.444	1	30		FEEFRN
O=C(C=C1NC[C@@H]2c3ccccc3CCN2C1=O)c1cccc([N+](=O)[O-])c1	ZINC000096934341	222142925	/nfs/dbraw/zinc/14/29/25/222142925.db2.gz	FHPJRDARYLKHRJ-UWKDKTGGSA-N	0	0	363.373	2.391	1	30		FEEFRN
CO/N=C1\c2cc(Cl)ccc2N(CCCCCCC(=O)NO)C1=O	ZINC000103294329	222333748	/nfs/dbraw/zinc/33/37/48/222333748.db2.gz	LKTPOXVCRTYKKO-XDJHFCHBSA-N	0	0	353.806	2.493	1	30		FEEFRN
C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12	ZINC000101631577	222279731	/nfs/dbraw/zinc/27/97/31/222279731.db2.gz	WIJTVLLWRBYBCD-ORVNXCETSA-N	0	0	364.438	2.062	1	30		FEEFRN
C=CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC	ZINC000101698842	222282526	/nfs/dbraw/zinc/28/25/26/222282526.db2.gz	YJUKSWDGFSKNDG-DPEHCCBOSA-N	0	0	357.370	2.358	1	30		FEEFRN
C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O	ZINC000014584809	571712361	/nfs/dbraw/zinc/71/23/61/571712361.db2.gz	ZJZYSAJQOPJREK-KADGYIQMSA-N	0	0	374.477	2.354	1	30	endogenous,in-man	FEEFRN
N#Cc1ccc(Cn2cncc2CN[C@H]2CCN(c3ccccn3)C2=O)cc1	ZINC000013863860	581101086	/nfs/dbraw/zinc/10/10/86/581101086.db2.gz	SXHQWPNCWHXRFZ-IBGZPJMESA-N	0	0	372.432	2.093	1	30		FEEFRN
C=CCOC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OCCCC	ZINC000040878723	717127794	/nfs/dbraw/zinc/12/77/94/717127794.db2.gz	XDVFFEGNJFRRMJ-HNNXBMFYSA-O	0	0	354.404	2.214	1	30		FEEFRN
Cn1c(-c2cccc(F)c2)nc2c1nc(C#CC1(O)CCCC1)nc2N	ZINC000000602916	219304664	/nfs/dbraw/zinc/30/46/64/219304664.db2.gz	LPAMCBPWGRTOCP-UHFFFAOYSA-N	0	0	351.385	2.408	1	30		FEEFRN
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)c2ccccc2)cc1	ZINC000013585974	220077113	/nfs/dbraw/zinc/07/71/13/220077113.db2.gz	XWQYRXPGPDOWAJ-QGZVFWFLSA-N	0	0	359.403	2.109	1	30		FEEFRN
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)C2CCCCC2)cc1	ZINC000013586005	220077672	/nfs/dbraw/zinc/07/76/72/220077672.db2.gz	MKEVHBFZBURDHJ-QGZVFWFLSA-N	0	0	365.451	2.317	1	30		FEEFRN
COC1(C#C[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)CCCCC1	ZINC000013783021	220094476	/nfs/dbraw/zinc/09/44/76/220094476.db2.gz	BQIZFVANVXCUDO-BZSNNMDCSA-N	0	0	350.411	2.158	1	30		FEEFRN
CC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O	ZINC000013783122	220094520	/nfs/dbraw/zinc/09/45/20/220094520.db2.gz	DUCQSFOKMHSULU-NJAFHUGGSA-N	0	0	350.317	2.135	1	30		FEEFRN
Cc1ccc(S(=O)(=O)n2cc(C=NNC(=N)N)c3ccc(C)cc32)cc1	ZINC000064559744	221148667	/nfs/dbraw/zinc/14/86/67/221148667.db2.gz	XCXWOXUBSWGYCV-UFFVCSGVSA-N	0	0	369.450	2.312	1	30		FEEFRN
C=C[C@@H](c1ccc(OC)c(O)c1)C1=C[C@](O)(CC(C)=O)C(OC)=CC1=O	ZINC000072109999	221406967	/nfs/dbraw/zinc/40/69/67/221406967.db2.gz	YIMDSLZENLJYDM-VBKZILBWSA-N	0	0	358.390	2.420	1	30	in-vitro	FEEFRN
CC(=O)N1CCC(c2cc(C)c(C(=O)N=C(N)N)cc2C(F)(F)F)CC1	ZINC000095554868	221960233	/nfs/dbraw/zinc/96/02/33/221960233.db2.gz	TVEWYIHFSHLKRL-UHFFFAOYSA-N	0	0	370.375	2.153	1	30		FEEFRN
O=C1C=CC2(C=C1)CC[C@@]1(C[C@H](O)C[C@]3(CCC4(C=CC(=O)C=C4)O3)O1)O2	ZINC000101712771	222282655	/nfs/dbraw/zinc/28/26/55/222282655.db2.gz	BWUOKXCUQDTZQU-ZHPFXUNLSA-N	0	0	370.401	2.039	1	30		FEEFRN
COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1	ZINC000013815659	220096476	/nfs/dbraw/zinc/09/64/76/220096476.db2.gz	RJJOIUHYOFJCSH-MEDHRJKHSA-N	0	0	356.330	2.274	3	30		FEEFRN
CCO[C@H]1Oc2ccccc2C(=O)C1=CNc1cccc(S(N)(=O)=O)c1	ZINC000072113763	221406823	/nfs/dbraw/zinc/40/68/23/221406823.db2.gz	PCLVYHGTWPWKOS-OTMARIDSSA-N	0	0	374.418	2.268	1	30		FEEFRN
CCOC(=O)C(C#N)[C@@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1	ZINC000003611270	204108616	/nfs/dbraw/zinc/10/86/16/204108616.db2.gz	MMZNADDZFWQHHX-QPUJVOFHSA-N	0	0	360.844	2.061	1	30		FEEFRN
COc1cc(-c2ccc3c(n2)C(=O)C=C(N2CC2)C3=O)cc(OC)c1OC	ZINC000029054132	204893456	/nfs/dbraw/zinc/89/34/56/204893456.db2.gz	XYNUXHPJHZZJBM-UHFFFAOYSA-N	0	0	366.373	2.353	1	30		FEEFRN
CNc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O	ZINC000040860689	205083521	/nfs/dbraw/zinc/08/35/21/205083521.db2.gz	WLLFZPQWXZPVTP-UHFFFAOYSA-N	0	0	362.393	2.077	1	30		FEEFRN
NC(N)=NC(=O)c1nc(Cl)c(Nc2ccc3ccccc3c2)nc1N	ZINC000040879766	205083929	/nfs/dbraw/zinc/08/39/29/205083929.db2.gz	WHKSXXWEBJVZHB-UHFFFAOYSA-N	0	0	355.789	2.023	1	30		FEEFRN
CCOC(=O)[C@@H]1SC(NC(=S)NC(=O)c2ccccc2)=N[C@H]1C	ZINC000066112233	205364433	/nfs/dbraw/zinc/36/44/33/205364433.db2.gz	MZPBECCLKHKXBO-GXSJLCMTSA-N	0	0	351.453	2.125	1	30		FEEFRN
O=C(NO)[C@H]1CC2(CC2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000040955367	136120727	/nfs/dbraw/zinc/12/07/27/136120727.db2.gz	ZFHJWQWVJPMAIW-IRXDYDNUSA-N	0	0	357.454	2.037	1	30		FEEFRN
COC1=CCC[C@@H]2[C@@](C=O)(C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO)C1	ZINC000069481950	291050773	/nfs/dbraw/zinc/05/07/73/291050773.db2.gz	NETVPTGIEMOTDY-PODJWQIISA-N	0	0	352.471	2.212	1	30	biogenic,in-vitro	FEEFRN
N#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1	ZINC000013737626	204550228	/nfs/dbraw/zinc/55/02/28/204550228.db2.gz	BPDMDQAKGPKONQ-OALUTQOASA-N	0	0	351.450	2.297	1	30		FEEFRN
CC(C)C[NH2+]CC1=C(F)C=C2C(=O)C(C(=O)[O-])=CN(C3CC3)[C@H]2[C@@H]1F	ZINC000028868147	204889499	/nfs/dbraw/zinc/88/94/99/204889499.db2.gz	QYWYVEGYSVLIEY-HZPDHXFCSA-N	0	0	352.381	2.118	1	30		FEEFRN
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N12	ZINC000028463827	204883460	/nfs/dbraw/zinc/88/34/60/204883460.db2.gz	FOMUTDWPOSXQRQ-SOUVJXGZSA-N	0	0	368.393	2.087	1	30		FEEFRN
O=C1C[C@@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)c1ccc(F)cc1	ZINC000040724153	205078828	/nfs/dbraw/zinc/07/88/28/205078828.db2.gz	FRGJIBCZMCBUEU-CYBMUJFWSA-N	0	0	363.366	2.064	1	30		FEEFRN
CN1C[C@@]2(C)C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N2C1=O	ZINC000040763289	205081822	/nfs/dbraw/zinc/08/18/22/205081822.db2.gz	RIZRNJYXWZZYNR-AWEZNQCLSA-N	0	0	352.272	2.170	1	30		FEEFRN
O=C(C=C1NC[C@H]2c3ccccc3CCN2C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000096934372	205889777	/nfs/dbraw/zinc/88/97/77/205889777.db2.gz	OPNYMINYSKZIGW-PNDHZVEESA-N	0	0	363.373	2.391	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)/C=C\[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000169370132	206254921	/nfs/dbraw/zinc/25/49/21/206254921.db2.gz	AXSMKFJOTFGINI-JAMPNILOSA-N	0	0	360.406	2.189	1	30		FEEFRN
COc1cc(OC)c(OC)cc1CN=NC(=S)NC[C@@H]1CCCO1	ZINC000038164099	522820339	/nfs/dbraw/zinc/82/03/39/522820339.db2.gz	MOITUGOJVYSDFE-PGQWVYTBSA-N	0	0	353.444	2.101	1	30		FEEFRN
C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O	ZINC000014584807	571712365	/nfs/dbraw/zinc/71/23/65/571712365.db2.gz	ZJZYSAJQOPJREK-RYFFXXKESA-N	0	0	374.477	2.354	1	30	endogenous,in-man	FEEFRN
CCOC(=O)C(C#N)[C@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1	ZINC000003611266	204108057	/nfs/dbraw/zinc/10/80/57/204108057.db2.gz	MMZNADDZFWQHHX-UFBFGSQYSA-N	0	0	360.844	2.061	1	30		FEEFRN
COc1ccc(Cl)cc1-c1cc(N(C)C(C)=O)c(C(=O)N=C(N)N)o1	ZINC000028822469	204890141	/nfs/dbraw/zinc/89/01/41/204890141.db2.gz	CBYAATLHSVOXMP-UHFFFAOYSA-N	0	0	364.789	2.005	1	30		FEEFRN
C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(C(=O)N4CCO[C@H]41)[C@H]2C[C@H]3O	ZINC000169312924	206250634	/nfs/dbraw/zinc/25/06/34/206250634.db2.gz	BHFFBTFLVBTKFH-YCGNQCEPSA-N	0	0	371.477	2.284	1	30		FEEFRN
C/C1=C/CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4	ZINC000169359659	206253426	/nfs/dbraw/zinc/25/34/26/206253426.db2.gz	HXNQQVVTMAHKGR-VWSBEDSKSA-N	0	0	350.455	2.298	1	30		FEEFRN
COc1ccccc1N1CCN(C2=CC(=O)c3cccc(O)c3C2=O)CC1	ZINC000071281185	537068606	/nfs/dbraw/zinc/06/86/06/537068606.db2.gz	HWXGPNPRHKQLCV-UHFFFAOYSA-N	0	0	364.401	2.486	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)/C(C)=C\C	ZINC000095099520	291047242	/nfs/dbraw/zinc/04/72/42/291047242.db2.gz	WZMSNQSBWAAHTM-MHKIUNJJSA-N	0	0	362.422	2.268	1	30	biogenic,in-vitro	FEEFRN
C=CCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCC=C	ZINC000013660831	203856238	/nfs/dbraw/zinc/85/62/38/203856238.db2.gz	DIOYUTZSFUHZTJ-UHFFFAOYSA-N	0	0	358.423	2.194	3	30		FEEFRN
CO/N=C\[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)/C=C\CC(=O)OC	ZINC000007998383	204313639	/nfs/dbraw/zinc/31/36/39/204313639.db2.gz	IYRHQKRWPCBLGJ-HPWKVCSFSA-N	0	0	368.455	2.030	1	30		FEEFRN
CC(C)C[C@@H](C#N)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C	ZINC000040564087	205072101	/nfs/dbraw/zinc/07/21/01/205072101.db2.gz	CZLFDTRTYWDKOE-HOCLYGCPSA-N	0	0	369.462	2.183	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(/C)[C@@H](OC(=O)[C@](C)(O)CC)C[C@@H]12	ZINC000140992028	205186065	/nfs/dbraw/zinc/18/60/65/205186065.db2.gz	QFUNFKDZAWYCRV-HNMHJHORSA-N	0	0	364.438	2.445	1	30		FEEFRN
Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1-c1ccsc1	ZINC000028646594	132374173	/nfs/dbraw/zinc/37/41/73/132374173.db2.gz	MITVCDGIMGCQME-UHFFFAOYSA-N	0	0	363.446	2.419	1	30		FEEFRN
O=C1C=C(N2CCN(c3ccccc3)CC2)C(=O)c2c(O)ccc(O)c21	ZINC000071294662	136138894	/nfs/dbraw/zinc/13/88/94/136138894.db2.gz	GYSIKJGWLZWHBX-UHFFFAOYSA-N	0	0	350.374	2.183	1	30		FEEFRN
C[C@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc43)C(=O)[C@@H]12	ZINC000029126836	581091175	/nfs/dbraw/zinc/09/11/75/581091175.db2.gz	DFSKMMSUPHINPX-QFBVAWSSSA-N	0	0	354.391	2.010	1	30		FEEFRN
C=C[C@]12C=CC[N+]3([O-])CC[C@@]4(c5ccccc5NC(=O)[C@@]4(C(=O)OC)C1)[C@H]23	ZINC000085848108	717137412	/nfs/dbraw/zinc/13/74/12/717137412.db2.gz	JFEXDLSGCZTMEH-QDSFCPFMSA-N	0	0	366.417	2.269	1	30		FEEFRN
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12	ZINC000169290285	203876563	/nfs/dbraw/zinc/87/65/63/203876563.db2.gz	WIJTVLLWRBYBCD-ZBCYPVTMSA-N	0	0	364.438	2.062	1	30		FEEFRN
CC(C)=CC[C@H](OC(=O)[C@@H]1O[C@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000040379357	205068408	/nfs/dbraw/zinc/06/84/08/205068408.db2.gz	JFAQZHIETYMALG-WBUIGNHESA-N	0	0	372.373	2.459	1	30		FEEFRN
COc1ccc(/C=C/C(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1OC	ZINC000040973277	205086434	/nfs/dbraw/zinc/08/64/34/205086434.db2.gz	QPXCESUENPDHKS-CSKARUKUSA-N	0	0	366.373	2.328	1	30		FEEFRN
COC(=O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O	ZINC000072120458	205469037	/nfs/dbraw/zinc/46/90/37/205469037.db2.gz	KSRYRCDROGTYRA-AWEZNQCLSA-N	0	0	370.327	2.366	1	30		FEEFRN
C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000138003936	206133611	/nfs/dbraw/zinc/13/36/11/206133611.db2.gz	NSXXXVWVXKTQJP-CHOQXISHSA-N	0	0	358.478	2.072	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000095912796	291047244	/nfs/dbraw/zinc/04/72/44/291047244.db2.gz	DZTWAOVNNLDWNH-SPARPGOHSA-N	0	0	362.422	2.221	1	30	biogenic,in-vitro	FEEFRN
O=C(O[C@@H]1C(=O)C(Br)=C[C@H]1O)c1c(O)ccc2ccccc21	ZINC000026168021	204846865	/nfs/dbraw/zinc/84/68/65/204846865.db2.gz	QGOCZJFCFUCXHD-DOMZBBRYSA-N	0	0	363.163	2.293	1	30		FEEFRN
Cc1cccc(N2C[C@]23C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)c1	ZINC000072179094	205501203	/nfs/dbraw/zinc/50/12/03/205501203.db2.gz	XFNDFHVHWVVNLS-OJLSYCMTSA-N	0	0	367.445	2.402	1	30		FEEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000085678052	291047620	/nfs/dbraw/zinc/04/76/20/291047620.db2.gz	ZMXFZZOCUKHAFO-ZRFLZQPUSA-N	0	0	364.438	2.301	1	30	biogenic,in-man	FEEFRN
CC#CCOc1ccc([S@@](=O)[C@@H](C(=O)NO)c2ccc(OC)cc2)cc1	ZINC000013585989	581093850	/nfs/dbraw/zinc/09/38/50/581093850.db2.gz	PCASIOOVBSODBH-DWXRJYCRSA-N	0	0	373.430	2.452	1	30		FEEFRN
COc1cc(OC)cc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000001652633	204016230	/nfs/dbraw/zinc/01/62/30/204016230.db2.gz	AHYHDQBLPQHRNR-UHFFFAOYSA-N	0	0	366.333	2.370	1	30		FEEFRN
O=C(OC[C@@]12O[C@@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@@H]2O)c1ccccc1	ZINC000038261016	205040704	/nfs/dbraw/zinc/04/07/04/205040704.db2.gz	BHNSEWKVMCNSGO-DCXXXQMHSA-N	0	0	366.369	2.137	1	30		FEEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)C/C(C)=C\C(=O)/C=C(\C)[C@@H]2O	ZINC000169349157	206253411	/nfs/dbraw/zinc/25/34/11/206253411.db2.gz	VUURQISRHJCAJY-IAQAZJCASA-N	0	0	360.406	2.189	1	30		FEEFRN
O=C1c2c(O)ccc(O)c2C(=O)C(NCCc2ccc(O)cc2)=C1Cl	ZINC000102978332	222317190	/nfs/dbraw/zinc/31/71/90/222317190.db2.gz	GPVQBVAGGATSDJ-UHFFFAOYSA-N	0	0	359.765	2.465	1	30		FEEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12[C@H](OC)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H]2O	ZINC000095912609	291047591	/nfs/dbraw/zinc/04/75/91/291047591.db2.gz	HZXIWBLGRBHNQF-HWZCDQJBSA-N	0	0	362.466	2.057	1	30	biogenic,in-vitro	FEEFRN
C[C@@H]1CC(=O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000038895199	208207089	/nfs/dbraw/zinc/20/70/89/208207089.db2.gz	KRDZPLIXVXKNST-AVIVPSALSA-N	0	0	360.406	2.411	1	30		FEEFRN
[O-][n+]1onc2ccc(/C=N/N=C/c3ccc(O)c(Br)c3)cc21	ZINC000040893321	208274839	/nfs/dbraw/zinc/27/48/39/208274839.db2.gz	XAKGHVURVHYXGW-GDWCLCACSA-N	0	0	361.155	2.382	1	30		FEEFRN
COc1c2c(c(Cl)c(OC)c1N)O[C@]1(C2=O)C(OC)=CC(=O)C[C@H]1C	ZINC000040422992	208252895	/nfs/dbraw/zinc/25/28/95/208252895.db2.gz	MGGREGKNBAKMLH-GJEGPGMTSA-N	0	0	367.785	2.393	1	30		FEEFRN
CCCCCCCCCC(=O)Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1	ZINC000044201969	208310705	/nfs/dbraw/zinc/31/07/05/208310705.db2.gz	YONWGKAIMFJCKC-IRXDYDNUSA-N	0	0	367.446	2.186	1	30		FEEFRN
C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O	ZINC000072138379	208806527	/nfs/dbraw/zinc/80/65/27/208806527.db2.gz	QRZRYFAMPKMZQR-NRTURECCSA-N	0	0	362.466	2.249	3	30		FEEFRN
C/C(=N\N=C1/N=C2OC(=O)C=C2S1)c1ccc(N2CCOCC2)cc1	ZINC000096927942	533414792	/nfs/dbraw/zinc/41/47/92/533414792.db2.gz	JFFZFOSFPQSXDE-HPCQEULDSA-N	0	0	356.407	2.189	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@H]12	ZINC000015157884	571733523	/nfs/dbraw/zinc/73/35/23/571733523.db2.gz	DZTWAOVNNLDWNH-XUDMSEAESA-N	0	0	362.422	2.221	1	30	endogenous,in-man	FEEFRN
C=CCOC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OCCCC	ZINC000040878727	717127842	/nfs/dbraw/zinc/12/78/42/717127842.db2.gz	XDVFFEGNJFRRMJ-OAHLLOKOSA-O	0	0	354.404	2.214	1	30		FEEFRN
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@H]34)[C@@]2(C)C1=O	ZINC000085531745	291050766	/nfs/dbraw/zinc/05/07/66/291050766.db2.gz	WJRYKXDCVDXQKS-XHIHFAMZSA-N	0	0	374.433	2.429	1	30	biogenic,in-vitro	FEEFRN
Cc1ccc(F)c2sc(NC(=O)c3csc(NC(=N)N)n3)nc21	ZINC000029568654	207993798	/nfs/dbraw/zinc/99/37/98/207993798.db2.gz	KLXSJUMNQXRRFE-UHFFFAOYSA-N	0	0	350.404	2.358	1	30		FEEFRN
N#Cc1ccc(N2CCN(CCNC(=O)c3ccc(F)cc3)CC2)cc1	ZINC000064503527	136133184	/nfs/dbraw/zinc/13/31/84/136133184.db2.gz	SEMQFIQYEGHERX-UHFFFAOYSA-N	0	0	352.413	2.249	1	30		FEEFRN
COc1cccc2c1C(=O)C=C[C@]21O[C@@H]2c3c1ccc(O)c3[C@H](O)[C@@H]1O[C@@H]12	ZINC000095559690	209080379	/nfs/dbraw/zinc/08/03/79/209080379.db2.gz	NITQFOMVGXXWTM-LUYSREMJSA-N	0	0	364.353	2.283	1	30		FEEFRN
O=C(CCC1=CCN(Cc2ccc(Br)cc2F)C1=O)NO	ZINC000095573407	209081709	/nfs/dbraw/zinc/08/17/09/209081709.db2.gz	LGWSIZWMFJUZOK-UHFFFAOYSA-N	0	0	357.179	2.142	1	30		FEEFRN
COC(=O)c1cc(NC(=O)C#Cc2cccs2)ccc1N1CCOCC1	ZINC000064499445	536515546	/nfs/dbraw/zinc/51/55/46/536515546.db2.gz	BDBBFLVFKXMMAX-UHFFFAOYSA-N	0	0	370.430	2.362	1	30		FEEFRN
C=C1C(=O)O[C@H]2CC(=C)[C@@H](O)CC[C@@]3(C)O[C@@H]3[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000523042259	291047813	/nfs/dbraw/zinc/04/78/13/291047813.db2.gz	VONCGJWJTWSHIG-PIVYELBCSA-N	0	0	362.422	2.221	1	30	biogenic	FEEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1C=C[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O	ZINC000103240338	209249636	/nfs/dbraw/zinc/24/96/36/209249636.db2.gz	DXZQQHDOMLKRCR-OACISFLYSA-N	0	0	374.477	2.414	1	30		FEEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]1(C)C=CC(=O)C(=C)[C@H]2O1	ZINC000040972848	208278654	/nfs/dbraw/zinc/27/86/54/208278654.db2.gz	UEENBALCOGSNKE-WEKRUKGFSA-N	0	0	358.390	2.205	1	30		FEEFRN
CCOC(=O)c1nn(CC)c(=O)c2nn(Cc3ccc(C#N)cc3)c(C)c21	ZINC000049126281	208415004	/nfs/dbraw/zinc/41/50/04/208415004.db2.gz	BRDPDSVYNBJBNI-UHFFFAOYSA-N	0	0	365.393	2.018	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000015158336	571733460	/nfs/dbraw/zinc/73/34/60/571733460.db2.gz	UMHQHFHQQZZQGN-NOAROMHISA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN
COc1c(O)ccc2c1[C@]13CCN(C)[C@@]1(CC2)C(OC)=C(OC)C(=O)C3	ZINC000015267740	291050745	/nfs/dbraw/zinc/05/07/45/291050745.db2.gz	VCOZOQJXGDDART-UXHICEINSA-N	0	0	359.422	2.136	1	30	biogenic,in-vitro	FEEFRN
O=C(OC[C@]12O[C@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@@H]2O)c1ccccc1	ZINC000105491839	209266437	/nfs/dbraw/zinc/26/64/37/209266437.db2.gz	BHNSEWKVMCNSGO-WKRCXCSHSA-N	0	0	366.369	2.137	1	30		FEEFRN
N#Cc1ncc2nc1OCC/C=C/COc1ccc(O)cc1NC(=O)N2	ZINC000103311504	209252344	/nfs/dbraw/zinc/25/23/44/209252344.db2.gz	SYPTWERBNSJDIK-OWOJBTEDSA-N	0	0	353.338	2.415	1	30		FEEFRN
COc1ccc2[nH]c(=O)c([C@@H]3NC(=S)NC4=C3C(=O)CCC4)cc2c1	ZINC000103286879	209251811	/nfs/dbraw/zinc/25/18/11/209251811.db2.gz	QHGWXDJSEXVSBO-INIZCTEOSA-N	0	0	355.419	2.063	1	30		FEEFRN
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2C=O)cc1OC	ZINC000103201866	209248255	/nfs/dbraw/zinc/24/82/55/209248255.db2.gz	CSBDJXWCRHWQMP-UHFFFAOYSA-N	0	0	363.373	2.448	1	30		FEEFRN
C#CCOc1cccc(OCc2ccccc2/C(=N\OC)C(=O)NC)c1	ZINC000103179271	209247383	/nfs/dbraw/zinc/24/73/83/209247383.db2.gz	RGXBJTRVWPSFQT-ZBJSNUHESA-N	0	0	352.390	2.374	1	30		FEEFRN
Nc1ccc([C@@H]2O[C@@H]3CC(=O)O[C@@H]3C3=C2C(=O)c2ccccc2C3=O)cc1	ZINC000040915602	208275452	/nfs/dbraw/zinc/27/54/52/208275452.db2.gz	IHBRLMBTNSCUNU-OREJSRFESA-N	0	0	361.353	2.400	1	30		FEEFRN
Cc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@]23[C@]12O[C@H]2[C@@H]1O[C@]1(C(C)C)[C@@]3(C)O	ZINC000071332257	208762751	/nfs/dbraw/zinc/76/27/51/208762751.db2.gz	ZAHYIZWVACPTCH-VEKMGFTLSA-N	0	0	358.434	2.471	1	30		FEEFRN
O=C(/C=C/c1ccc2c(c1)CN(S(=O)(=O)Cc1ccccc1)C2)NO	ZINC000072178097	208825714	/nfs/dbraw/zinc/82/57/14/208825714.db2.gz	OAKJEROUPWRCIH-VQHVLOKHSA-N	0	0	358.419	2.051	1	30		FEEFRN
N#C/C(=N\[O-])C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2	ZINC000146132650	209381695	/nfs/dbraw/zinc/38/16/95/209381695.db2.gz	HSZDEPLXGLXHIX-JJIBRWJFSA-N	0	0	351.410	2.386	1	30		FEEFRN
C=CCNC(=O)[C@@H](C(C)C)N(CCCn1ccnc1)C(=O)c1cccnc1	ZINC000028953008	206752991	/nfs/dbraw/zinc/75/29/91/206752991.db2.gz	GMFNLSKTGRKGST-GOSISDBHSA-N	0	0	369.469	2.137	1	30		FEEFRN
O=c1[nH]c(NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc12	ZINC000033375445	208089060	/nfs/dbraw/zinc/08/90/60/208089060.db2.gz	IOLSBSYNWFYQBI-IDUWFGFVSA-N	0	0	353.294	2.006	1	30		FEEFRN
C#CCN1C(=O)COc2cc(F)c(N3C(=O)c4ccc(F)cc4C3=O)cc21	ZINC000103174877	533144981	/nfs/dbraw/zinc/14/49/81/533144981.db2.gz	KOHVLABWTPHRFF-UHFFFAOYSA-N	0	0	368.295	2.124	1	30		FEEFRN
COc1ccc(OC)c(C=NN=c2cc(C)[nH]c(N3CCOCC3)n2)c1	ZINC000038206721	536826435	/nfs/dbraw/zinc/82/64/35/536826435.db2.gz	SWQNXGRJAHSTJS-UNOMPAQXSA-N	0	0	357.414	2.085	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12	ZINC000103563610	291046686	/nfs/dbraw/zinc/04/66/86/291046686.db2.gz	KCUQHLKAVMLGGV-URGRMVLJSA-N	0	0	362.422	2.221	1	30	biogenic,in-vitro	FEEFRN
COc1ccc2[nH]c(=O)c([C@H]3NC(=S)NC4=C3C(=O)CCC4)cc2c1	ZINC000103286876	209252347	/nfs/dbraw/zinc/25/23/47/209252347.db2.gz	QHGWXDJSEXVSBO-MRXNPFEDSA-N	0	0	355.419	2.063	1	30		FEEFRN
COCC(=O)N1CCC2(CCCN(C(=O)Nc3cccc(C#N)c3)C2)CC1	ZINC000004238053	207008376	/nfs/dbraw/zinc/00/83/76/207008376.db2.gz	OKZKVCOCODRQCY-UHFFFAOYSA-N	0	0	370.453	2.441	1	30		FEEFRN
NC(=NS(=O)(=O)c1cccc2nsnc21)Nc1ccc(Cl)cc1	ZINC000005579372	207108507	/nfs/dbraw/zinc/10/85/07/207108507.db2.gz	FXJWHAYOWPXRAU-UHFFFAOYSA-N	0	0	367.843	2.460	1	30		FEEFRN
N#Cc1ccc(-c2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)on2)cc1	ZINC000045254904	208329488	/nfs/dbraw/zinc/32/94/88/208329488.db2.gz	SAWDRENOSRKPMG-AWEZNQCLSA-N	0	0	367.321	2.296	1	30		FEEFRN
Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1Cc1ccccc1	ZINC000021288931	132373942	/nfs/dbraw/zinc/37/39/42/132373942.db2.gz	ODPJCEINZKGFRL-UHFFFAOYSA-N	0	0	371.444	2.281	1	30		FEEFRN
CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)NO)C2CCCCC2)cc1	ZINC000013586004	581093789	/nfs/dbraw/zinc/09/37/89/581093789.db2.gz	MKEVHBFZBURDHJ-KRWDZBQOSA-N	0	0	365.451	2.317	1	30		FEEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000095909834	291047584	/nfs/dbraw/zinc/04/75/84/291047584.db2.gz	UMHQHFHQQZZQGN-LKEAYODTSA-N	0	0	364.438	2.301	1	30	biogenic,in-vitro	FEEFRN
CC[C@@H](C)[C@@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)OC	ZINC000102979768	209245678	/nfs/dbraw/zinc/24/56/78/209245678.db2.gz	MCEPTKKEKKEPDQ-FUXBKTLASA-N	0	0	367.785	2.105	1	30		FEEFRN
N=C(N)Nc1nc(C(=O)Nc2nc3cc(F)cc(F)c3s2)cs1	ZINC000026156028	207909897	/nfs/dbraw/zinc/90/98/97/207909897.db2.gz	SCEJRVVAZAAZLR-UHFFFAOYSA-N	0	0	354.367	2.188	1	30		FEEFRN
CC(C)(C)N1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	ZINC000028120314	207949713	/nfs/dbraw/zinc/94/97/13/207949713.db2.gz	NYNUGSDRGOYXKP-GOSISDBHSA-N	0	0	356.403	2.156	1	30		FEEFRN
CCCCCCCCC1=CC2=CN(COC(CO)CO)C(=O)N[C@H]2O1	ZINC000044093671	208311693	/nfs/dbraw/zinc/31/16/93/208311693.db2.gz	OHRIHNSATYJMMB-KRWDZBQOSA-N	0	0	354.447	2.214	1	30		FEEFRN
CC1=C2OCCCCN3c4ccc(F)cc4[C@@](O)(C3=O)[C@@]2(C)SC1=O	ZINC000071316061	208760958	/nfs/dbraw/zinc/76/09/58/208760958.db2.gz	FXDXGZXMYRMICQ-ZWKOTPCHSA-N	0	0	363.410	2.476	1	30		FEEFRN
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C	ZINC000040943654	136120724	/nfs/dbraw/zinc/12/07/24/136120724.db2.gz	JIUQPMBNVLJRAC-XIKOKIGWSA-N	0	0	362.401	2.356	1	30		FEEFRN
O=C1[C@H]2C(=C3C(=O)C=C[C@@H]2N3Cc2ccccc2)C(O)N1c1ccccc1	ZINC000105409248	209265470	/nfs/dbraw/zinc/26/54/70/209265470.db2.gz	WKEXHQLBCFZJRL-NBYUQASBSA-N	0	0	358.397	2.184	3	30		FEEFRN
CCCCCCCC=C1C(=O)C2=C(NCCS2(=O)=O)C(=O)C1OC	ZINC000101983665	209231855	/nfs/dbraw/zinc/23/18/55/209231855.db2.gz	FYGOCXBMUPLEKO-UHFFFAOYSA-N	0	0	355.456	2.019	1	30		FEEFRN
O=S(=O)(N1CCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1	ZINC000096272997	206698417	/nfs/dbraw/zinc/69/84/17/206698417.db2.gz	AFRDXYQVLBIYMU-UHFFFAOYSA-N	0	0	373.503	2.242	1	30		FEEFRN
CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(C#N)c3)c2c1	ZINC000040873759	208273089	/nfs/dbraw/zinc/27/30/89/208273089.db2.gz	MXGXXUDJDPPFAZ-UHFFFAOYSA-N	0	0	366.402	2.352	1	30		FEEFRN
COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)ccc3[n+]2[O-])cc1	ZINC000040897761	208275215	/nfs/dbraw/zinc/27/52/15/208275215.db2.gz	YTEILYMPDFYVHN-UHFFFAOYSA-N	0	0	355.737	2.085	1	30		FEEFRN
O=C(CCC1=CCN(CCc2ccc(Br)cc2)C1=O)NO	ZINC000095573334	209082727	/nfs/dbraw/zinc/08/27/27/209082727.db2.gz	WUGVFIHQNRWBLP-UHFFFAOYSA-N	0	0	353.216	2.046	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12	ZINC000015157883	571733597	/nfs/dbraw/zinc/73/35/97/571733597.db2.gz	DZTWAOVNNLDWNH-GERQBTKESA-N	0	0	362.422	2.221	1	30	endogenous,in-man	FEEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	ZINC000005132484	290673545	/nfs/dbraw/zinc/67/35/45/290673545.db2.gz	ZYOJIZKOPNSJGE-QDHYIOMWSA-N	0	0	350.411	2.260	1	30	biogenic	FEEFRN
CCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1	ZINC000013764050	211058408	/nfs/dbraw/zinc/05/84/08/211058408.db2.gz	AUQHYVHKEDXBCG-UHFFFAOYSA-N	0	0	358.460	2.018	1	30		FEEFRN
[O-][n+]1onc2ccc(/C=N/N=C/c3cc(Br)ccc3O)cc21	ZINC000066251681	221242618	/nfs/dbraw/zinc/24/26/18/221242618.db2.gz	NVNZPTIVXJWLEO-GDWCLCACSA-N	0	0	361.155	2.382	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H](COC(=O)CC(C)C)[C@]1(O)CCC(=O)[C@@]21C	ZINC000028637296	210165555	/nfs/dbraw/zinc/16/55/55/210165555.db2.gz	NGKFAMFILMKFJI-QOZBGNNQSA-N	0	0	364.438	2.184	1	30		FEEFRN
CCC(=NNC(=N)N)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12	ZINC000064548871	212039359	/nfs/dbraw/zinc/03/93/59/212039359.db2.gz	WSJGFPCJKFOPRL-LTGZKZEYSA-N	0	0	369.450	2.475	1	30		FEEFRN
N=C(N)Nc1nc(C(=O)Nc2nc3c(s2)c(F)ccc3F)cs1	ZINC000029571104	211514649	/nfs/dbraw/zinc/51/46/49/211514649.db2.gz	LILRJGWFGIWCCQ-UHFFFAOYSA-N	0	0	354.367	2.188	1	30		FEEFRN
Cc1ccccc1NC(=O)/C(=N\NC(N)=S)[C@H](C#N)c1ccccc1	ZINC000017195633	211181775	/nfs/dbraw/zinc/18/17/75/211181775.db2.gz	MXYRZUFEJRHOSX-AWMROSOHSA-N	0	0	351.435	2.430	1	30		FEEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)C/C(C)=C\C(=O)/C=C(/C)[C@@H]2O	ZINC000013585374	211040763	/nfs/dbraw/zinc/04/07/63/211040763.db2.gz	VUURQISRHJCAJY-SEPXTGRBSA-N	0	0	360.406	2.189	1	30		FEEFRN
Cc1ccc(S(=O)(=O)NNC2=CC(=O)CC(C)(C)C2)cc1[N+](=O)[O-]	ZINC000013133059	211024969	/nfs/dbraw/zinc/02/49/69/211024969.db2.gz	IMFBOSVQRJEHON-WJDWOHSUSA-N	0	0	353.400	2.317	3	30		FEEFRN
Cc1ccc2c(c1)/C(=N/N=C1\SCC(=O)N1c1ccc(O)cc1)C(=O)N2	ZINC000071329915	221343539	/nfs/dbraw/zinc/34/35/39/221343539.db2.gz	LLKKVBMKUPHBOE-UZYVYHOESA-N	0	0	366.402	2.493	1	30		FEEFRN
CC#CCOc1ccc([S@@](=O)[C@H](C(=O)NO)c2ccc(OC)cc2)cc1	ZINC000013585984	210144289	/nfs/dbraw/zinc/14/42/89/210144289.db2.gz	PCASIOOVBSODBH-QYBDOPJKSA-N	0	0	373.430	2.452	1	30		FEEFRN
O=C(C#Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(F)cc2)CC1	ZINC000043058956	210047389	/nfs/dbraw/zinc/04/73/89/210047389.db2.gz	RMVKIUJGAKDMQN-UHFFFAOYSA-N	0	0	367.380	2.430	1	30		FEEFRN
CC(=NNC(=N)N)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C)c12	ZINC000064559507	212040190	/nfs/dbraw/zinc/04/01/90/212040190.db2.gz	OKUVJTKKDCXNAT-FYJGNVAPSA-N	0	0	369.450	2.394	1	30		FEEFRN
CCCCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	ZINC000028126563	211478574	/nfs/dbraw/zinc/47/85/74/211478574.db2.gz	XTJMCZPMUGISFW-SFHVURJKSA-N	0	0	356.403	2.157	1	30		FEEFRN
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)S	ZINC000013732004	211053029	/nfs/dbraw/zinc/05/30/29/211053029.db2.gz	CRNLQLRVDDAGHI-XKQJLSEDSA-N	0	0	366.527	2.449	1	30		FEEFRN
CC(C)(C)C1CS(=O)(=O)C(C)(c2ccc(C#N)cc2)S(=O)(=O)C1	ZINC000013742129	211056218	/nfs/dbraw/zinc/05/62/18/211056218.db2.gz	MGTVULONPCDLHC-UHFFFAOYSA-N	0	0	355.481	2.236	1	30		FEEFRN
CC(C)c1ccc2c(c1)NC(=O)C2=NNc1ccc(S(N)(=O)=O)cc1	ZINC000013470469	211034113	/nfs/dbraw/zinc/03/41/13/211034113.db2.gz	KBESLZOGXNTNCJ-UHFFFAOYSA-N	0	0	358.423	2.226	1	30		FEEFRN
N#C/C(C(N)=O)=c1\ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2	ZINC000013116315	211023971	/nfs/dbraw/zinc/02/39/71/211023971.db2.gz	OHWJDSSZXTZAES-PAVGYVTISA-N	0	0	360.461	2.404	1	30		FEEFRN
N#Cc1ccc(CN2C(=O)CNC(=O)[C@@H]2Cc2c[nH]c3ccccc23)cc1	ZINC000071294975	221340246	/nfs/dbraw/zinc/34/02/46/221340246.db2.gz	ARUKXPDROSPZJO-IBGZPJMESA-N	0	0	358.401	2.109	1	30		FEEFRN
O=C1CS/C(=N\N=C2/C(=O)Nc3ccccc32)N1c1ccccc1O	ZINC000071317328	221341922	/nfs/dbraw/zinc/34/19/22/221341922.db2.gz	NDMRTHXMXDZZBR-JZJYNLBNSA-N	0	0	352.375	2.184	1	30		FEEFRN
CCc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@@]23[C@H](O)[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@]213	ZINC000071341931	221345213	/nfs/dbraw/zinc/34/52/13/221345213.db2.gz	VJXOWXDNUANFQI-JNFWGSAOSA-N	0	0	358.434	2.335	1	30		FEEFRN
Cc1cc(C)nc(NC(=S)N2CCN(c3ncccc3C#N)CC2)c1	ZINC000095570781	132215620	/nfs/dbraw/zinc/21/56/20/132215620.db2.gz	ODIRTOAHUPJXNG-UHFFFAOYSA-N	0	0	352.467	2.484	1	30		FEEFRN
C#CCN1c2cc(N3C(=O)c4ccccc4C3=O)c(F)cc2O[C@H](C)C1=O	ZINC000103296108	132371365	/nfs/dbraw/zinc/37/13/65/132371365.db2.gz	NPYQGYIBJANJFL-LLVKDONJSA-N	0	0	364.332	2.373	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000100780341	571832818	/nfs/dbraw/zinc/83/28/18/571832818.db2.gz	ZMXFZZOCUKHAFO-CZTQHQMTSA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN
O=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)NO	ZINC000013604337	210143286	/nfs/dbraw/zinc/14/32/86/210143286.db2.gz	VITAMFDLUUGKDU-FARCUNLSSA-N	0	0	360.366	2.040	1	30		FEEFRN
C=CC(C)(C)c1[nH]cnc1C=C1NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000003925736	210103317	/nfs/dbraw/zinc/10/33/17/210103317.db2.gz	GWMHBVLPNWHWGW-DFSFMLJYSA-N	0	0	350.422	2.072	1	30		FEEFRN
CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000045300197	210048403	/nfs/dbraw/zinc/04/84/03/210048403.db2.gz	HZBOJNZTLUQBRI-LLVKDONJSA-N	0	0	356.426	2.384	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	ZINC000085677768	291046104	/nfs/dbraw/zinc/04/61/04/291046104.db2.gz	BZLSCTYZIPOOPI-VNPGZJKUSA-N	0	0	360.406	2.346	1	30	biogenic	FEEFRN
COC1=C(C(C)C)[C@@H](O)C2=C([C@@H]1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@]2(O)C=O	ZINC000095099600	291050735	/nfs/dbraw/zinc/05/07/35/291050735.db2.gz	SYKGLRRSHYGSMA-JXCHDGQWSA-N	0	0	364.482	2.351	1	30	biogenic,in-vitro	FEEFRN
CC(C)Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1	ZINC000028563082	211492495	/nfs/dbraw/zinc/49/24/95/211492495.db2.gz	QRFQALWOIUJSKQ-UHFFFAOYSA-N	0	0	373.360	2.382	1	30		FEEFRN
CC(C)n1nc(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@H]2O)ccc1=O	ZINC000026665623	211452184	/nfs/dbraw/zinc/45/21/84/211452184.db2.gz	OXWLFVMSUSUYGX-MSOLQXFVSA-N	0	0	355.394	2.348	1	30		FEEFRN
Cc1cc(Cl)cc2c1NC(=O)C2=NNc1ccc(S(N)(=O)=O)cc1	ZINC000014945906	211106146	/nfs/dbraw/zinc/10/61/46/211106146.db2.gz	YWGGNXADJYGMJY-UHFFFAOYSA-N	0	0	364.814	2.064	1	30		FEEFRN
COc1ccc(CS(=O)(=O)[C@](C)(Cc2ccccc2)C(=O)NO)cc1	ZINC000013520932	211037906	/nfs/dbraw/zinc/03/79/06/211037906.db2.gz	WJPFHUMULGZBAI-GOSISDBHSA-N	0	0	363.435	2.117	1	30		FEEFRN
C=CC[C@@H](Nc1ccccc1)[C@]12C=C[C@H](O1)C(C(=O)OC)=C2C(=O)OC	ZINC000004859435	210104934	/nfs/dbraw/zinc/10/49/34/210104934.db2.gz	OATWETZGGLHRAC-MDOVXXIYSA-N	0	0	355.390	2.393	1	30		FEEFRN
COc1c(C)cnc(Cn2cc(C#CCO)c3c2nc(N)nc3Cl)c1C	ZINC000095562953	210087024	/nfs/dbraw/zinc/08/70/24/210087024.db2.gz	QAXQRXZBXHBFPQ-UHFFFAOYSA-N	0	0	371.828	2.079	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000257412059	291046107	/nfs/dbraw/zinc/04/61/07/291046107.db2.gz	DZTWAOVNNLDWNH-PFEJDDOESA-N	0	0	362.422	2.221	1	30	biogenic	FEEFRN
CC1=C(CSCC[C@H]([NH3+])C(=O)[O-])C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1	ZINC000027107788	211460639	/nfs/dbraw/zinc/46/06/39/211460639.db2.gz	SBGGFFONWGIUSF-KSSFIOAISA-N	0	0	363.479	2.209	1	30		FEEFRN
N#CC1(C#N)N[C@H](c2cccs2)C(C#N)(C#N)N[C@H]1c1cccs1	ZINC000023478271	211389662	/nfs/dbraw/zinc/38/96/62/211389662.db2.gz	BSQDLFOCPMYZAE-OKILXGFUSA-N	0	0	350.432	2.357	1	30		FEEFRN
CC1(C)Oc2ccc(N)cc2[C@@H](N=C(NC#N)Nc2ccccc2)[C@@H]1O	ZINC000013741491	211055597	/nfs/dbraw/zinc/05/55/97/211055597.db2.gz	WXNNWVQWSFHJAI-SJORKVTESA-N	0	0	351.410	2.381	1	30		FEEFRN
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)CC(C)=C1C(=O)C=C(C)[C@@H]12	ZINC000013585431	211040723	/nfs/dbraw/zinc/04/07/23/211040723.db2.gz	SNZRAKOFDSGBRF-WYYIAQBKSA-N	0	0	358.390	2.039	1	30	biogenic	FEEFRN
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=N)N)cc1OC	ZINC000006373170	210670100	/nfs/dbraw/zinc/67/01/00/210670100.db2.gz	UAJVAORBEDZLAX-SSDVNMTOSA-N	0	0	364.409	2.164	3	30		FEEFRN
C#CCN1c2cc(N3C(=O)c4cccc(C)c4C3=O)c(F)cc2OCC1=O	ZINC000038249005	132268002	/nfs/dbraw/zinc/26/80/02/132268002.db2.gz	OCAYAGVHAVKTMT-UHFFFAOYSA-N	0	0	364.332	2.293	1	30		FEEFRN
CC(C)(O)c1cn([C@@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1	ZINC000096904724	222137349	/nfs/dbraw/zinc/13/73/49/222137349.db2.gz	SGWUANMWNCXRIP-QGZVFWFLSA-N	0	0	353.378	2.189	1	30		FEEFRN
N#C[C@@H](C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1nc2ccccc2[nH]1	ZINC000101258688	526489908	/nfs/dbraw/zinc/48/99/08/526489908.db2.gz	JHWPSDWPELTFGM-IHRRRGAJSA-N	0	0	362.389	2.080	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000004098121	210180259	/nfs/dbraw/zinc/18/02/59/210180259.db2.gz	DZTWAOVNNLDWNH-AUWKULLQSA-N	0	0	362.422	2.221	1	30	biogenic,in-vitro	FEEFRN
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12	ZINC000029134026	210165844	/nfs/dbraw/zinc/16/58/44/210165844.db2.gz	AFRTUXMOKYWHEU-VAPKMSFNSA-N	0	0	362.422	2.055	1	30		FEEFRN
C=C(C)[C@H]1C/C=C(/C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2	ZINC000015199744	210146228	/nfs/dbraw/zinc/14/62/28/210146228.db2.gz	CCRQLJVTUBLUBL-HFVBHBNVSA-N	0	0	362.422	2.497	1	30		FEEFRN
C=CCn1c(=O)c2nc(Cc3cccs3)[nH]c2n(Cc2ccco2)c1=O	ZINC000045391232	210047711	/nfs/dbraw/zinc/04/77/11/210047711.db2.gz	VLZSBCXHJFOEMJ-UHFFFAOYSA-N	0	0	368.418	2.366	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)CCC=C(CO)C(=O)C[C@@H]12	ZINC000156903076	291046844	/nfs/dbraw/zinc/04/68/44/291046844.db2.gz	QHGKREFYCJPLAM-CGSSYVTNSA-N	0	0	362.422	2.272	1	30	biogenic	FEEFRN
COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(C[C@H](O)CO)c2=O	ZINC000038149669	211697469	/nfs/dbraw/zinc/69/74/69/211697469.db2.gz	BUXRKQONBGINRO-AWEZNQCLSA-N	0	0	368.364	2.041	1	30		FEEFRN
CNC(=S)[C@@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@H](O)CO	ZINC000013589998	211042012	/nfs/dbraw/zinc/04/20/12/211042012.db2.gz	AAVAAXWYZZHZJN-WVQVLLESSA-N	0	0	363.483	2.134	1	30		FEEFRN
COC1=C(OC)C(=O)C(Cc2c(Cl)nc3n2CCS3)=C(C)C1=O	ZINC000001662909	210366555	/nfs/dbraw/zinc/36/65/55/210366555.db2.gz	DOWGWHIAYKRQJI-UHFFFAOYSA-N	0	0	354.815	2.157	1	30		FEEFRN
COc1cc(C=Nn2c(=O)[nH]nc2-c2ccccc2)cc(OC)c1OC	ZINC000001654985	210363679	/nfs/dbraw/zinc/36/36/79/210363679.db2.gz	NKDCDUBMDHRUOO-YBFXNURJSA-N	0	0	354.366	2.146	1	30		FEEFRN
COc1cc(C(C)(C)C#Cc2c(C)nc(N)nc2N)cc(OC)c1OC	ZINC000053683841	221047606	/nfs/dbraw/zinc/04/76/06/221047606.db2.gz	FJNFXXGWYVMQNA-UHFFFAOYSA-N	0	0	356.426	2.305	1	30	in-vivo	FEEFRN
Cc1c(C(N)=O)sc2nc(SC[C@H]3CO3)n(-c3ccccc3)c(=O)c12	ZINC000098083217	222226820	/nfs/dbraw/zinc/22/68/20/222226820.db2.gz	QZFMMAQKWWXRIA-LLVKDONJSA-N	0	0	373.459	2.345	1	30		FEEFRN
C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O	ZINC000014584811	571712409	/nfs/dbraw/zinc/71/24/09/571712409.db2.gz	ZJZYSAJQOPJREK-HKBGPESCSA-N	0	0	374.477	2.354	1	30	endogenous,in-man	FEEFRN
C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)[C@@H](C)O)=C/C[C@H]12	ZINC000028572358	210165654	/nfs/dbraw/zinc/16/56/54/210165654.db2.gz	JTFXNPPZNWSQAJ-SOGYQEEUSA-N	0	0	364.438	2.063	1	30		FEEFRN
C#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC1(C3)OCCO1	ZINC000026494149	210162288	/nfs/dbraw/zinc/16/22/88/210162288.db2.gz	YLZBNNDOEUIHFB-UHFFFAOYSA-N	0	0	358.419	2.209	1	30		FEEFRN
COc1cc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC	ZINC000013683368	210143905	/nfs/dbraw/zinc/14/39/05/210143905.db2.gz	QUSHLFKUHGFZFA-UHFFFAOYSA-N	0	0	374.414	2.350	1	30		FEEFRN
CC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O	ZINC000007992543	210134610	/nfs/dbraw/zinc/13/46/10/210134610.db2.gz	DUCQSFOKMHSULU-SZMVWBNQSA-N	0	0	350.317	2.135	1	30		FEEFRN
O=C1c2ccc(C#Cc3ccccc3)cc2CCN1CCN1CCOCC1	ZINC000066073826	210102583	/nfs/dbraw/zinc/10/25/83/210102583.db2.gz	IMRFBYOXNLNSCH-UHFFFAOYSA-N	0	0	360.457	2.417	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000085676770	291046106	/nfs/dbraw/zinc/04/61/06/291046106.db2.gz	DZTWAOVNNLDWNH-IHGBIZJZSA-N	0	0	362.422	2.221	1	30	biogenic	FEEFRN
Cc1cccc2c1c(C=NNC(=N)N)cn2S(=O)(=O)c1ccccc1	ZINC000064559066	212040316	/nfs/dbraw/zinc/04/03/16/212040316.db2.gz	KYJJINPOLMJGMP-KEBDBYFISA-N	0	0	355.423	2.004	1	30		FEEFRN
C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccncc3)cc2)C1=O	ZINC000013491935	211035658	/nfs/dbraw/zinc/03/56/58/211035658.db2.gz	XKXZGTYAPMUIFV-VLIAUNLRSA-N	0	0	369.421	2.045	1	30		FEEFRN
CC1=C2OCCCCN3c4ccc(F)cc4[C@](O)(C3=O)[C@@]2(C)SC1=O	ZINC000071316059	221342007	/nfs/dbraw/zinc/34/20/07/221342007.db2.gz	FXDXGZXMYRMICQ-ROUUACIJSA-N	0	0	363.410	2.476	1	30		FEEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C	ZINC000040943652	136120654	/nfs/dbraw/zinc/12/06/54/136120654.db2.gz	JIUQPMBNVLJRAC-KPZWWZAWSA-N	0	0	362.401	2.356	1	30		FEEFRN
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C	ZINC000040943656	136120750	/nfs/dbraw/zinc/12/07/50/136120750.db2.gz	JIUQPMBNVLJRAC-SGTLLEGYSA-N	0	0	362.401	2.356	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@@]1(C)CCC[C@H](C)[C@H]2O	ZINC000015158339	571733616	/nfs/dbraw/zinc/73/36/16/571733616.db2.gz	UMHQHFHQQZZQGN-KSPGMDPOSA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN
CNC(=O)n1cc(Br)c(/C=N\OCc2ccc(OC)cc2)n1	ZINC000012368186	219986262	/nfs/dbraw/zinc/98/62/62/219986262.db2.gz	QRKCFJISQXWTGJ-IDUWFGFVSA-N	0	0	367.203	2.392	3	30		FEEFRN
COC(=O)c1nc2n(n1)[C@H](c1ccccc1OC)C1C(=O)CCCC1=N2	ZINC000013123671	220058182	/nfs/dbraw/zinc/05/81/82/220058182.db2.gz	OBYOZCNSQWSNBQ-OAHLLOKOSA-N	0	0	354.366	2.095	3	30		FEEFRN
CC(C)Cc1cccc2c1C(=NNc1ccc(S(N)(=O)=O)cc1)C(=O)N2	ZINC000013470434	220068758	/nfs/dbraw/zinc/06/87/58/220068758.db2.gz	XWYZXIPUSGGJGV-UHFFFAOYSA-N	0	0	372.450	2.301	1	30		FEEFRN
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)[C@@H](C)S	ZINC000013731995	220090435	/nfs/dbraw/zinc/09/04/35/220090435.db2.gz	CRNLQLRVDDAGHI-COXVUDFISA-N	0	0	366.527	2.449	1	30		FEEFRN
CC(=O)OC[C@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O	ZINC000013783123	220095116	/nfs/dbraw/zinc/09/51/16/220095116.db2.gz	DUCQSFOKMHSULU-BPQIPLTHSA-N	0	0	350.317	2.135	1	30		FEEFRN
CC[C@@H](C)[C@@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]23	ZINC000015200272	220149284	/nfs/dbraw/zinc/14/92/84/220149284.db2.gz	ABLNQMKQYJQVRR-CHCSYJCLSA-N	0	0	362.422	2.260	1	30		FEEFRN
C[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N	ZINC000095555218	132215343	/nfs/dbraw/zinc/21/53/43/132215343.db2.gz	XCKRDANFKQJNSM-BHIYHBOVSA-N	0	0	368.481	2.170	1	30		FEEFRN
COc1ccc(Cn2cc(C(=O)NO)c(=O)c3c(F)ccc(F)c32)cc1	ZINC000096906821	222138089	/nfs/dbraw/zinc/13/80/89/222138089.db2.gz	NNULPWQVXSWBIB-UHFFFAOYSA-N	0	0	360.316	2.456	1	30		FEEFRN
CCS(=O)(=O)c1ccc(NN=C2C=CC(=O)c3ncccc32)c(OC)c1	ZINC000103793895	222343776	/nfs/dbraw/zinc/34/37/76/222343776.db2.gz	SLXHXGNKLYBANE-XSFVSMFZSA-N	0	0	371.418	2.453	3	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000015158338	571733623	/nfs/dbraw/zinc/73/36/23/571733623.db2.gz	UMHQHFHQQZZQGN-JVBUFHKGSA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN
CC#CCOc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NO)cc1	ZINC000013440718	220066651	/nfs/dbraw/zinc/06/66/51/220066651.db2.gz	XNSXZLYFBPIUKQ-UHFFFAOYSA-N	0	0	374.418	2.033	1	30		FEEFRN
CC(C)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1	ZINC000013472380	220067914	/nfs/dbraw/zinc/06/79/14/220067914.db2.gz	JLAVDQAEILEFOO-GOSISDBHSA-N	0	0	374.462	2.431	1	30		FEEFRN
COc1ccc(CN2C(=O)[C@H](CS)NC(=O)[C@@H]2Cc2ccccc2)cc1	ZINC000013556874	220073294	/nfs/dbraw/zinc/07/32/94/220073294.db2.gz	KIGOGXGZNGEPBS-ROUUACIJSA-N	0	0	370.474	2.063	1	30		FEEFRN
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NO	ZINC000013803862	220095960	/nfs/dbraw/zinc/09/59/60/220095960.db2.gz	UKLIIGXGTPSYBF-QGZVFWFLSA-N	0	0	373.434	2.034	1	30		FEEFRN
C[C@]12CC[C@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c4nsnc43)C(=O)[C@H]12	ZINC000029126837	581091122	/nfs/dbraw/zinc/09/11/22/581091122.db2.gz	DFSKMMSUPHINPX-BRTARUFTSA-N	0	0	354.391	2.010	1	30		FEEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000040866886	220923337	/nfs/dbraw/zinc/92/33/37/220923337.db2.gz	DZTWAOVNNLDWNH-DJWUWUHWSA-N	0	0	362.422	2.221	1	30		FEEFRN
N#C[C@@H]1c2ccccc2-n2nncc2CN1S(=O)(=O)c1ccccc1	ZINC000061942520	221138066	/nfs/dbraw/zinc/13/80/66/221138066.db2.gz	JUNGXOHDASSOSB-QGZVFWFLSA-N	0	0	351.391	2.036	3	30		FEEFRN
C#CCN1c2cc(N3C(=O)c4ccc(C)cc4C3=O)c(F)cc2OCC1=O	ZINC000038224562	132267813	/nfs/dbraw/zinc/26/78/13/132267813.db2.gz	MVMWYLQRRYQZNK-UHFFFAOYSA-N	0	0	364.332	2.293	1	30		FEEFRN
O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1	ZINC000096270328	222106709	/nfs/dbraw/zinc/10/67/09/222106709.db2.gz	UIMOJSHBVUUXAE-GOSISDBHSA-N	0	0	374.462	2.196	1	30		FEEFRN
COC1(C#C[C@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1	ZINC000007992106	219841001	/nfs/dbraw/zinc/84/10/01/219841001.db2.gz	BQIZFVANVXCUDO-KZNAEPCWSA-N	0	0	350.411	2.158	1	30		FEEFRN
CCCc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC	ZINC000013474875	220070093	/nfs/dbraw/zinc/07/00/93/220070093.db2.gz	NSPXSMWKFKIIBA-SNVBAGLBSA-N	0	0	362.304	2.197	1	30		FEEFRN
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000013520206	220071235	/nfs/dbraw/zinc/07/12/35/220071235.db2.gz	XTLSVXWJVRKFIP-RNUIGHNZSA-N	0	0	374.477	2.236	1	30		FEEFRN
N#C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1	ZINC000013737627	220092702	/nfs/dbraw/zinc/09/27/02/220092702.db2.gz	NBLRRMDFSJKWRK-ROUUACIJSA-N	0	0	369.490	2.208	1	30		FEEFRN
O=C1[C@@H]2C(=C3C(=O)C=C[C@@H]2N3Cc2ccccc2)C(O)N1c1ccccc1	ZINC000017138768	220207371	/nfs/dbraw/zinc/20/73/71/220207371.db2.gz	WKEXHQLBCFZJRL-FRYIKTPZSA-N	0	0	358.397	2.184	1	30		FEEFRN
CC(C)=CC(=O)C=C(NNC(N)=S)C(=O)Nc1ccc(Cl)cc1	ZINC000017195682	220208964	/nfs/dbraw/zinc/20/89/64/220208964.db2.gz	XHPYWPHYGFGTGJ-CPNJWEJPSA-N	0	0	352.847	2.393	1	30		FEEFRN
COC(=O)CN1CC(C)(C)[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O	ZINC000072120459	221407731	/nfs/dbraw/zinc/40/77/31/221407731.db2.gz	KSRYRCDROGTYRA-CQSZACIVSA-N	0	0	370.327	2.366	1	30		FEEFRN
O=C1c2cccnc2C(=O)C(Cl)=C1N1CCN(c2ccccn2)CC1	ZINC000031853635	132923567	/nfs/dbraw/zinc/92/35/67/132923567.db2.gz	YFIRLCDIKBWLFV-UHFFFAOYSA-N	0	0	354.797	2.128	1	30		FEEFRN
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cn1	ZINC000096927973	222141621	/nfs/dbraw/zinc/14/16/21/222141621.db2.gz	XTTWDEQGGXWVTH-GOSISDBHSA-N	0	0	350.418	2.335	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\C)[C@@H](OC(=O)[C@](C)(O)CC)C[C@@H]12	ZINC000101513232	222277611	/nfs/dbraw/zinc/27/76/11/222277611.db2.gz	QFUNFKDZAWYCRV-HDVTYZFESA-N	0	0	364.438	2.445	1	30		FEEFRN
CCCC[NH2+]CC1=C(F)C=C2C(=O)C(C(=O)[O-])=CN(C3CC3)[C@H]2[C@H]1F	ZINC000028868194	220587510	/nfs/dbraw/zinc/58/75/10/220587510.db2.gz	YUNIETNZFITZLK-JKSUJKDBSA-N	0	0	352.381	2.262	1	30		FEEFRN
CCCCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N	ZINC000040505587	220908683	/nfs/dbraw/zinc/90/86/83/220908683.db2.gz	AMOJZVSFXPBIPL-LLVKDONJSA-N	0	0	358.398	2.036	1	30		FEEFRN
COc1cc2c(c(OC)c1)[C@H](/C=C1\Oc3cc(O)cc(O)c3C1=O)C(=O)O2	ZINC000053242682	221043353	/nfs/dbraw/zinc/04/33/53/221043353.db2.gz	OKCWZQNBQJECDI-VNCYPQDWSA-N	0	0	370.313	2.277	1	30		FEEFRN
N#C[C@H]1c2ccccc2-n2nncc2CN1S(=O)(=O)c1ccccc1	ZINC000061942518	221137523	/nfs/dbraw/zinc/13/75/23/221137523.db2.gz	JUNGXOHDASSOSB-KRWDZBQOSA-N	0	0	351.391	2.036	3	30		FEEFRN
C#CCN1c2cc(N3C(=O)c4ccccc4C3=O)c(F)cc2O[C@@H](C)C1=O	ZINC000103296110	132371476	/nfs/dbraw/zinc/37/14/76/132371476.db2.gz	NPYQGYIBJANJFL-NSHDSACASA-N	0	0	364.332	2.373	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)CC(C)C)[C@@H]12	ZINC000103268015	222330493	/nfs/dbraw/zinc/33/04/93/222330493.db2.gz	JENRVVOVQAIGRV-FVGIVATJSA-N	0	0	364.438	2.301	1	30		FEEFRN
CN(C)C(=O)CO/N=C1\c2ccccc2N\C1=C1\c2ccccc2NC1=O	ZINC000102921384	222313952	/nfs/dbraw/zinc/31/39/52/222313952.db2.gz	CXQWIBJXWQIZCH-LCLDVOFVSA-N	0	0	362.389	2.284	1	30		FEEFRN
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](C)S	ZINC000013731998	220090635	/nfs/dbraw/zinc/09/06/35/220090635.db2.gz	CRNLQLRVDDAGHI-XYPHTWIQSA-N	0	0	366.527	2.449	1	30		FEEFRN
CNC(=O)Nc1ccc(Oc2ncnc(N)c2/C=N/OC)cc1Cl	ZINC000066080463	221239873	/nfs/dbraw/zinc/23/98/73/221239873.db2.gz	VDDWBBBOIFUSEU-CGOBSMCZSA-N	0	0	350.766	2.236	1	30		FEEFRN
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@]3(CO3)CC[C@H]12	ZINC000070451088	221332427	/nfs/dbraw/zinc/33/24/27/221332427.db2.gz	YQZCSRAURNLCEK-YANDEMMWSA-N	0	0	350.455	2.205	1	30	biogenic,in-vitro	FEEFRN
CC(=O)N1c2ccccc2[C@]2(C1=O)C1=C(CN2C)C(=O)c2ccccc2C1=O	ZINC000073315079	221563944	/nfs/dbraw/zinc/56/39/44/221563944.db2.gz	GGQUSGUQOYGNEW-JOCHJYFZSA-N	0	0	372.380	2.096	1	30		FEEFRN
C=C1C[C@@H](CC)C(=O)O[C@@H]2CC[C@]3(C)CC=C(COC(=O)[C@@]1(C)O)[N+]23[O-]	ZINC000238733410	717162226	/nfs/dbraw/zinc/16/22/26/717162226.db2.gz	OYUWUNNAOJAFSE-GTDXACRKSA-N	0	0	365.426	2.291	1	30		FEEFRN
NC(=S)C(=NNc1ccc(Br)cc1)C(=O)N1CCCC1	ZINC000004477722	539384667	/nfs/dbraw/zinc/38/46/67/539384667.db2.gz	DBHZOBZTHRHDPO-GZTJUZNOSA-N	0	0	355.261	2.126	2	30		FEEFRN
C[C@H]1[C@H]2C[C@@]34COC(=O)[C@@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2	ZINC000095914494	291053687	/nfs/dbraw/zinc/05/36/87/291053687.db2.gz	CYIQXXCGDFOHBI-LOQVONRYSA-N	0	0	358.390	2.439	1	30	biogenic,in-vitro	FEEFRN
CC(=NNC(=N)N)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12	ZINC000014975948	220138450	/nfs/dbraw/zinc/13/84/50/220138450.db2.gz	NRMWTKWISGLWOP-UDWIEESQSA-N	0	0	355.423	2.085	1	30		FEEFRN
CCOC(=O)Cn1c2ccccc2nc(N=NCc2ccccc2)c1=O	ZINC000066112080	221241809	/nfs/dbraw/zinc/24/18/09/221241809.db2.gz	JVECYUDYHWLNIW-UDWIEESQSA-N	0	0	350.378	2.406	1	30		FEEFRN
C#CCOCN1c2ccccc2C(=O)N(Cc2ccccc2)S1(=O)=O	ZINC000005828008	132306005	/nfs/dbraw/zinc/30/60/05/132306005.db2.gz	VYCMMMGNZNJWSC-UHFFFAOYSA-N	0	0	356.403	2.001	1	30		FEEFRN
C=CCN1C(=O)CSc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21	ZINC000003040928	132844242	/nfs/dbraw/zinc/84/42/42/132844242.db2.gz	VLJMIGNHEHFEQQ-UHFFFAOYSA-N	0	0	374.462	2.290	3	30		FEEFRN
N#Cc1cccc(NC(=S)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1	ZINC000103201769	222324585	/nfs/dbraw/zinc/32/45/85/222324585.db2.gz	QWRCBJMSFKCZIW-UHFFFAOYSA-N	0	0	366.362	2.109	1	30		FEEFRN
C=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@@](C)(O)CC[C@@]12O	ZINC000103225757	222326989	/nfs/dbraw/zinc/32/69/89/222326989.db2.gz	QWQCCBLIKLMUJQ-LXWHCTNBSA-N	0	0	352.471	2.002	1	30		FEEFRN
CC#CCSCC(=C1NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-]	ZINC000103275906	222330927	/nfs/dbraw/zinc/33/09/27/222330927.db2.gz	PVVHQZHSZFTJFV-FYWRMAATSA-N	0	0	352.847	2.343	1	30		FEEFRN
C=C1[C@@H](O)[C@]23C[C@H]1C(=O)C[C@H]2[C@]12[C@@H]4C[C@H]3[C@H]1[N@@+]([O-])(CC)C[C@]4(C)CC[C@@H]2O	ZINC000255282870	717171641	/nfs/dbraw/zinc/17/16/41/717171641.db2.gz	YAFVVJNTIALWDB-YKAWIASLSA-N	0	0	373.493	2.013	1	30		FEEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12[C@H](C[C@H]3O[C@@H]1OC)C(C)(C)CC[C@@H]2O	ZINC000095912610	291047616	/nfs/dbraw/zinc/04/76/16/291047616.db2.gz	HZXIWBLGRBHNQF-JYNZHCRNSA-N	0	0	362.466	2.057	1	30	biogenic,in-vitro	FEEFRN
N#CC1(C#N)N[C@H](c2cccs2)C(C#N)(C#N)N[C@@H]1c1cccs1	ZINC000019365556	220252600	/nfs/dbraw/zinc/25/26/00/220252600.db2.gz	BSQDLFOCPMYZAE-ZIAGYGMSSA-N	0	0	350.432	2.357	1	30		FEEFRN
N#Cc1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2c[nH]c3ccccc23)cc1	ZINC000071281799	221338205	/nfs/dbraw/zinc/33/82/05/221338205.db2.gz	ARUKXPDROSPZJO-LJQANCHMSA-N	0	0	358.401	2.109	1	30		FEEFRN
Cc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@]23[C@]12O[C@H]2[C@@H]1O[C@]1(C(C)C)[C@]3(C)O	ZINC000071331252	221343585	/nfs/dbraw/zinc/34/35/85/221343585.db2.gz	ZAHYIZWVACPTCH-HEXRHRPMSA-N	0	0	358.434	2.471	1	30		FEEFRN
O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)nc2)/C1=N/[N+](=O)[O-]	ZINC000103284121	222332306	/nfs/dbraw/zinc/33/23/06/222332306.db2.gz	SHJYDLMYMFKXMY-MNDPQUGUSA-N	0	0	359.773	2.241	1	30		FEEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000257412060	291046112	/nfs/dbraw/zinc/04/61/12/291046112.db2.gz	DZTWAOVNNLDWNH-SHTAVPNDSA-N	0	0	362.422	2.221	1	30	biogenic	FEEFRN
CC1=C(CC[C@@]2(O)COC(=O)C2)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32	ZINC000005766563	291048886	/nfs/dbraw/zinc/04/88/86/291048886.db2.gz	JRBMIKVAUKDRCI-ZJXIFLPPSA-N	0	0	362.422	2.082	1	30	biogenic,in-vitro	FEEFRN
COc1ccc(C2C(=O)C(=O)[C@@](O)(c3ccc(OC)cc3)CC2OC)cc1	ZINC000015257974	220150488	/nfs/dbraw/zinc/15/04/88/220150488.db2.gz	GZSCQNISHIIIPB-SFTDATJTSA-N	0	0	370.401	2.283	1	30		FEEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C	ZINC000040943650	136120701	/nfs/dbraw/zinc/12/07/01/136120701.db2.gz	JIUQPMBNVLJRAC-KZULUSFZSA-N	0	0	362.401	2.356	1	30		FEEFRN
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)[C@@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O	ZINC000100780340	571832853	/nfs/dbraw/zinc/83/28/53/571832853.db2.gz	ZMXFZZOCUKHAFO-NHNMZDDDSA-N	0	0	364.438	2.301	1	30	endogenous,in-man	FEEFRN