smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1ccc2c([O-])c3ccoc3c(Br)c2o1	ZINC000095596020	185015731	/nfs/dbraw/zinc/01/57/31/185015731.db2.gz	DAFQCWSMBDPZDF-UHFFFAOYSA-N	-1	0	281.061	3.007	1	0		CGAFRM
O=C([O-])[C@H]1CCc2c(cnn2-c2cccc3ccccc32)C1	ZINC000108247420	186208620	/nfs/dbraw/zinc/20/86/20/186208620.db2.gz	XNRXPTXHTDQKCC-ZDUSSCGKSA-N	-1	0	292.338	3.215	1	0		CGAFRM
CC(=O)c1cc(-c2c(C)[n-]n(-c3ccccc3)c2=O)oc1C	ZINC000071281702	176108875	/nfs/dbraw/zinc/10/88/75/176108875.db2.gz	OMGDRQBAGOKNOZ-UHFFFAOYSA-N	-1	0	296.326	3.245	1	0		CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1ccccc1C(F)(F)F	ZINC000095556965	185009655	/nfs/dbraw/zinc/00/96/55/185009655.db2.gz	SILHCVJUYMRQBK-UHFFFAOYSA-N	-1	0	284.237	3.026	1	0		CGAFRM
O=Cc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1O	ZINC000070455279	560047445	/nfs/dbraw/zinc/04/74/45/560047445.db2.gz	JPEZKGGHIXXEFQ-UHFFFAOYSA-N	-1	0	270.240	3.029	1	0	biogenic,in-vitro	CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1cccc(C(F)(F)F)c1	ZINC000095555897	185008340	/nfs/dbraw/zinc/00/83/40/185008340.db2.gz	KPURGRGMWDYDSF-UHFFFAOYSA-N	-1	0	284.237	3.026	1	0		CGAFRM
CC[C@@H]1CC[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@H]1C(=O)[O-]	ZINC000005539452	170110882	/nfs/dbraw/zinc/11/08/82/170110882.db2.gz	FRDKYJIOJJFINJ-NCGRVNECSA-N	-1	0	280.408	3.311	1	0		CGAFRM
C[C@H](C(=O)[O-])c1ccc2c(c1)OC[C@H]1CCCC[C@@H]1C2=O	ZINC000027558105	171521276	/nfs/dbraw/zinc/52/12/76/171521276.db2.gz	OFVDIEAYDXBHNU-UHTWSYAYSA-N	-1	0	288.343	3.256	1	0		CGAFRM
CC[C@]1(CC(=O)[O-])OCCc2c3ccc(Cl)cc3[nH]c21	ZINC000039198741	174165726	/nfs/dbraw/zinc/16/57/26/174165726.db2.gz	UNRUGUODWCQQNT-OAHLLOKOSA-N	-1	0	293.750	3.474	1	0		CGAFRM
CC(C)Oc1ccc(-c2cc(C(=O)[O-])ncn2)cc1Cl	ZINC000071649298	176240694	/nfs/dbraw/zinc/24/06/94/176240694.db2.gz	WWIJIMDOMQMPAS-UHFFFAOYSA-N	-1	0	292.722	3.282	1	0		CGAFRM
O=C([O-])C(=S)Cc1c[nH]c2cccc(Cl)c12	ZINC000169325398	188658369	/nfs/dbraw/zinc/65/83/69/188658369.db2.gz	MBYBDGDGKFRRRC-WTKPLQERSA-N	-1	0	253.710	3.177	1	0		CGAFRM
COc1ccccc1Nc1ccc(C(C)=O)cc1C(=O)[O-]	ZINC000084706608	178917960	/nfs/dbraw/zinc/91/79/60/178917960.db2.gz	WJGRYYIFZVFUQY-UHFFFAOYSA-N	-1	0	285.299	3.340	1	0		CGAFRM
O=C([O-])CCc1cccc(Nc2cnc3ccccc3n2)c1	ZINC000072107913	176317241	/nfs/dbraw/zinc/31/72/41/176317241.db2.gz	ZQJUOYPIXFFTJE-UHFFFAOYSA-N	-1	0	293.326	3.391	1	0		CGAFRM
O=C([O-])[C@@H]1Cc2[nH]c3ccccc3c2[C@@H]2CCC[C@H]21	ZINC000017217246	518201442	/nfs/dbraw/zinc/20/14/42/518201442.db2.gz	KLONMZIUAZJRTF-CKYFFXLPSA-N	-1	0	255.317	3.309	1	0		CGAFRM
C[C@@H](CC[C@@H]1C(C)(C)CCC[C@@]1(C)O)CC(=O)[O-]	ZINC000014447340	560102627	/nfs/dbraw/zinc/10/26/27/560102627.db2.gz	XHIZLLMJEWQQGF-YWPYICTPSA-N	-1	0	256.386	3.455	1	0	biogenic	CGAFRM
CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)[O-])cc1	ZINC000006857882	170250124	/nfs/dbraw/zinc/25/01/24/170250124.db2.gz	IJHJXKXXOUDHOE-UHFFFAOYSA-N	-1	0	295.342	3.298	1	0		CGAFRM
O=C([O-])CC[C@H](O)c1ccc(OCc2ccccc2)cc1	ZINC000043372882	175029395	/nfs/dbraw/zinc/02/93/95/175029395.db2.gz	KYLXSEMIGLJJPC-INIZCTEOSA-N	-1	0	286.327	3.164	1	0		CGAFRM
O=c1nc[n-]c2c1sc1c2c(Cl)ccc1Cl	ZINC000044717144	175236269	/nfs/dbraw/zinc/23/62/69/175236269.db2.gz	DJUSDFVEBBYFFL-UHFFFAOYSA-N	-1	0	271.128	3.445	1	0	in-vitro	CGAFRM
COc1ccc(Nc2cc(OC)ccc2C(=O)[O-])cc1	ZINC000084704547	178916987	/nfs/dbraw/zinc/91/69/87/178916987.db2.gz	ONPZNCAHTWFCCX-UHFFFAOYSA-N	-1	0	273.288	3.146	1	0		CGAFRM
Cc1ccc2oc(C(=O)[O-])c(-c3ccccc3)c(=O)c2c1	ZINC000169318371	188657630	/nfs/dbraw/zinc/65/76/30/188657630.db2.gz	SKDFYDGRGDTAHA-UHFFFAOYSA-N	-1	0	280.279	3.467	1	0		CGAFRM
CCCCCn1c(=O)c2cc(C(=O)[O-])cn2c2ccccc21	ZINC000034216346	171834530	/nfs/dbraw/zinc/83/45/30/171834530.db2.gz	WVJOUHHRZGHTBX-UHFFFAOYSA-N	-1	0	298.342	3.143	1	0		CGAFRM
C[C@H](C(=O)[O-])c1ccccc1-c1ccn(C(F)F)c(=O)c1	ZINC000045366998	175362810	/nfs/dbraw/zinc/36/28/10/175362810.db2.gz	SPWBLYVVRZOUFL-VIFPVBQESA-N	-1	0	293.269	3.099	1	0		CGAFRM
O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccco1	ZINC000072172271	176333321	/nfs/dbraw/zinc/33/33/21/176333321.db2.gz	AEXXYAQIOHGEDM-AWEZNQCLSA-N	-1	0	292.290	3.393	1	0		CGAFRM
O=c1[nH]c2cccc(-c3ccc(F)cc3)c2cc1[O-]	ZINC000096927032	185130853	/nfs/dbraw/zinc/13/08/53/185130853.db2.gz	WRAWUAGEXUFULL-UHFFFAOYSA-N	-1	0	255.248	3.040	1	0		CGAFRM
C[C@H]1CC[C@@H]([C@@](O)(C(=O)[O-])C2CCCCC2)C[C@@H]1C	ZINC000169354582	188661063	/nfs/dbraw/zinc/66/10/63/188661063.db2.gz	JQCVRXQKGQZFHH-CAVOSLQRSA-N	-1	0	268.397	3.455	1	0		CGAFRM
Cc1cc(Cl)c2c(c1)C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2	ZINC000003975278	169926726	/nfs/dbraw/zinc/92/67/26/169926726.db2.gz	DIUCLSCBUOAEQY-JTQLQIEISA-N	-1	0	292.640	3.440	1	0		CGAFRM
Cc1ccc2c(c1)C(=O)[C@H](Cc1ccccc1C(=O)[O-])C2	ZINC000005538039	170110462	/nfs/dbraw/zinc/11/04/62/170110462.db2.gz	KSJSXTLVZZPHDI-CQSZACIVSA-N	-1	0	280.323	3.291	1	0		CGAFRM
CCc1cc(C)c2c(c1)C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2	ZINC000038352514	174140520	/nfs/dbraw/zinc/14/05/20/174140520.db2.gz	QOHGXWIDSHOGBZ-LBPRGKRZSA-N	-1	0	286.249	3.349	1	0		CGAFRM
CCCCCCC(=O)Nc1ccc(C[P@@](=O)([O-])O)cc1	ZINC000072116867	176318799	/nfs/dbraw/zinc/31/87/99/176318799.db2.gz	MDWDUQKGQWYHMH-UHFFFAOYSA-N	-1	0	299.307	3.273	1	0		CGAFRM
CC(=O)c1ccc(OCCCC(C)(C)C(=O)[O-])cc1	ZINC000072118170	176319277	/nfs/dbraw/zinc/31/92/77/176319277.db2.gz	HZODJLZGBNJSFH-UHFFFAOYSA-N	-1	0	264.321	3.159	1	0		CGAFRM
CC(=O)O[C@@H]1CC(C)=C2[C@@H]1[C@H](C)CC[C@@H]2/C=C(\C)C(=O)[O-]	ZINC000013783221	571704630	/nfs/dbraw/zinc/70/46/30/571704630.db2.gz	VBBXZFLAYWAXSK-IEHWRERVSA-N	-1	0	292.375	3.332	1	0	endogenous,in-man	CGAFRM
C[C@@H](C(=O)[O-])c1ccc(S[C@@H]2CCCC2=O)cc1F	ZINC000084711023	178918697	/nfs/dbraw/zinc/91/86/97/178918697.db2.gz	DIZCYAHFLDEPSC-AMIZOPFISA-N	-1	0	282.336	3.228	1	0		CGAFRM
COc1ccccc1NCc1sc(C(=O)[O-])cc1C	ZINC000006797869	170244775	/nfs/dbraw/zinc/24/47/75/170244775.db2.gz	CMDSPJNTQBMFLF-UHFFFAOYSA-N	-1	0	277.345	3.375	1	0		CGAFRM
CC1(C)CCC[C@]2(C)[C@@H](C(=O)[O-])[C@](C)(O)CC[C@@H]12	ZINC000095576666	185010952	/nfs/dbraw/zinc/01/09/52/185010952.db2.gz	VYGRCVWARMYZPO-IDTSFGKNSA-N	-1	0	254.370	3.065	1	0		CGAFRM
CCCCCn1cc(CCCCCCCC(=O)[O-])nn1	ZINC000096907394	185128085	/nfs/dbraw/zinc/12/80/85/185128085.db2.gz	QLYGOLSIUDOLST-UHFFFAOYSA-N	-1	0	281.400	3.436	1	0		CGAFRM
CC(C)CC(=O)C[C@H](C)[C@@H]1CC=C(C(=O)[O-])CC1	ZINC000005440586	170099352	/nfs/dbraw/zinc/09/93/52/170099352.db2.gz	XPXCWUPURKUWHC-NWDGAFQWSA-N	-1	0	252.354	3.439	1	0		CGAFRM
C[C@@H](C(=O)[O-])c1ccc(-c2ccn(C(F)F)c(=O)c2)cc1	ZINC000045384406	175371094	/nfs/dbraw/zinc/37/10/94/175371094.db2.gz	GUAJOMWFUYHNPG-SECBINFHSA-N	-1	0	293.269	3.099	1	0		CGAFRM
C[C@H](C(=O)[O-])c1ccc(OC2CCCC2)cc1F	ZINC000084723706	178921040	/nfs/dbraw/zinc/92/10/40/178921040.db2.gz	BMXYLFDEBQVEJR-VIFPVBQESA-N	-1	0	252.285	3.335	1	0		CGAFRM
CCOCCc1c2ccc(Cl)cc2[nH]c1C(=O)[O-]	ZINC000013821289	170598871	/nfs/dbraw/zinc/59/88/71/170598871.db2.gz	ADYYDMRSHYBCLC-UHFFFAOYSA-N	-1	0	267.712	3.099	1	0		CGAFRM
CC(=O)O[C@@H]1CC(C)=C2[C@@H]1[C@H](C)CC[C@H]2/C=C(\C)C(=O)[O-]	ZINC000013783219	571704633	/nfs/dbraw/zinc/70/46/33/571704633.db2.gz	VBBXZFLAYWAXSK-BRDXDOJJSA-N	-1	0	292.375	3.332	1	0	endogenous,in-man	CGAFRM
O=C([O-])[C@H](COc1ccccc1)Oc1ccc(Cl)cc1	ZINC000096908278	185127826	/nfs/dbraw/zinc/12/78/26/185127826.db2.gz	HMPAXRRYNVFCIU-AWEZNQCLSA-N	-1	0	292.718	3.251	1	0		CGAFRM
CCc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O	ZINC000005686717	170128769	/nfs/dbraw/zinc/12/87/69/170128769.db2.gz	PXKLQJSEYICHEO-UHFFFAOYSA-N	-1	0	285.372	3.160	3	0		CGAFRM
CCCCCNC(=O)NCCCC/C=C\CCC(=O)[O-]	ZINC000043059317	174961558	/nfs/dbraw/zinc/96/15/58/174961558.db2.gz	ABERTDKHAIMZFF-XQRVVYSFSA-N	-1	0	284.400	3.067	1	0	in-vivo	CGAFRM
O=C([O-])CC(=O)CCc1ccc(-c2ccccc2)cc1	ZINC000045285094	175353430	/nfs/dbraw/zinc/35/34/30/175353430.db2.gz	HDXADAWBGFXTBW-UHFFFAOYSA-N	-1	0	268.312	3.330	1	0	in-vivo	CGAFRM
CCOc1ccc2nc(S[C@@H](C)C(=O)[O-])sc2c1	ZINC000045299283	175355007	/nfs/dbraw/zinc/35/50/07/175355007.db2.gz	VETOKHCXYIEOOU-ZETCQYMHSA-N	-1	0	283.374	3.260	1	0		CGAFRM
CC(C)c1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000013154255	280642528	/nfs/dbraw/zinc/64/25/28/280642528.db2.gz	IECCRQGEQGKYIK-OJDYBEQGSA-N	-1	0	299.370	3.271	1	0		CGAFRM
O=c1cc(CCc2ccccc2)oc2cc([O-])ccc12	ZINC000014503976	560221972	/nfs/dbraw/zinc/22/19/72/560221972.db2.gz	QVPPGYBSJQCGTN-UHFFFAOYSA-N	-1	0	266.296	3.284	1	0	biogenic,in-vitro	CGAFRM
O=c1[nH]c2ccccc2c(-c2ccc(F)cc2)c1[O-]	ZINC000096927035	185131181	/nfs/dbraw/zinc/13/11/81/185131181.db2.gz	HWLFFZSGMUOCNF-UHFFFAOYSA-N	-1	0	255.248	3.040	1	0		CGAFRM
O=c1c2c[nH][n-]c-2c(-c2ccccc2)n1-c1ccccc1	ZINC000005762825	170138223	/nfs/dbraw/zinc/13/82/23/170138223.db2.gz	BPQMRSKQWJGKBY-INIZCTEOSA-N	-1	0	275.311	3.160	1	0		CGAFRM
CC[C@@]1(CC(=O)[O-])OCCc2c1[nH]c1c2c(C)ccc1C	ZINC000039198787	174165349	/nfs/dbraw/zinc/16/53/49/174165349.db2.gz	GMJQNWDKGDNOKJ-KRWDZBQOSA-N	-1	0	287.359	3.437	1	0		CGAFRM
O=C([O-])C[C@H](O)CCc1ccc(-c2ccccc2)cc1	ZINC000045285504	175353533	/nfs/dbraw/zinc/35/35/33/175353533.db2.gz	ILGSIIFHQGOKKV-MRXNPFEDSA-N	-1	0	270.328	3.122	1	0	in-vivo	CGAFRM
O=c1cc(-c2ccsc2)cc(-c2ccccc2)n1[O-]	ZINC000095564348	185010480	/nfs/dbraw/zinc/01/04/80/185010480.db2.gz	GUPMSIYZMWVFNE-UHFFFAOYSA-N	-1	0	269.325	3.481	1	0		CGAFRM
C[C@@H](C(=O)[O-])c1ccc(S[C@H]2CCC[C@@H]2O)cc1F	ZINC000084653982	178910029	/nfs/dbraw/zinc/91/00/29/178910029.db2.gz	ZHXHVIRYVIHFEY-JCOFBHIZSA-N	-1	0	284.352	3.019	1	0		CGAFRM
O=c1cc([O-])c2ccc(OCc3cccc(F)c3)cc2o1	ZINC000103243539	185818966	/nfs/dbraw/zinc/81/89/66/185818966.db2.gz	LYZJIFOHMQNDSW-UHFFFAOYSA-N	-1	0	286.258	3.217	1	0		CGAFRM
CCCCCc1[n-]c2ccccc2c(=O)c1C(=O)OCC	ZINC000040393946	174252917	/nfs/dbraw/zinc/25/29/17/174252917.db2.gz	MVDMDQQBVNUKSG-UHFFFAOYSA-N	-1	0	287.359	3.438	1	0		CGAFRM
CN(C)c1ccc(-c2cc3ccc([O-])cc3oc2=O)cc1	ZINC000071317213	176121853	/nfs/dbraw/zinc/12/18/53/176121853.db2.gz	OUEZHEXKOBEXRX-UHFFFAOYSA-N	-1	0	281.311	3.232	1	0		CGAFRM
CC(C)(COc1ccc(-c2ccc(N)cc2)cc1)C(=O)[O-]	ZINC000073219895	176462704	/nfs/dbraw/zinc/46/27/04/176462704.db2.gz	DJCWKZBCOLWTKG-UHFFFAOYSA-N	-1	0	285.343	3.425	1	0		CGAFRM
C=C1c2ccccc2C(=O)N(C)c2ccc(C(=O)[O-])cc21	ZINC000095557373	185009764	/nfs/dbraw/zinc/00/97/64/185009764.db2.gz	WFEXZKAPAGWJSP-UHFFFAOYSA-N	-1	0	279.295	3.036	1	0		CGAFRM
O=C([O-])[C@@H]1Cc2[nH]c3ccccc3c2[C@H]2CCC[C@H]21	ZINC000005839185	170145944	/nfs/dbraw/zinc/14/59/44/170145944.db2.gz	KLONMZIUAZJRTF-JFGNBEQYSA-N	-1	0	255.317	3.309	1	0		CGAFRM
Cc1csc2[nH]c(=O)c(-c3cccs3)c([O-])c12	ZINC000013679998	170577463	/nfs/dbraw/zinc/57/74/63/170577463.db2.gz	CGYUIHWESLARSH-UHFFFAOYSA-N	-1	0	263.343	3.332	1	0		CGAFRM
Cc1c(Cl)ccc2c1C=C(C(=O)[O-])[C@H](C(F)(F)F)O2	ZINC000038304206	174139475	/nfs/dbraw/zinc/13/94/75/174139475.db2.gz	ZHRMSIDYCXFKFH-SNVBAGLBSA-N	-1	0	292.640	3.440	1	0		CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1cccc(-c2cccnc2)c1	ZINC000095552266	185008159	/nfs/dbraw/zinc/00/81/59/185008159.db2.gz	RQVJLUTUYMSFKF-UHFFFAOYSA-N	-1	0	293.326	3.069	1	0		CGAFRM
COc1ccc(-c2ccc3c(cc(C(=O)[O-])n3O)c2)cc1	ZINC000073245022	176463215	/nfs/dbraw/zinc/46/32/15/176463215.db2.gz	KGMNEXZTTRCDBJ-UHFFFAOYSA-N	-1	0	283.283	3.252	1	0		CGAFRM
O=c1cc(C2CCCCC2)oc2cc([O-])cc(O)c12	ZINC000006523947	170209857	/nfs/dbraw/zinc/20/98/57/170209857.db2.gz	GBLQCGXEHXKBKR-UHFFFAOYSA-N	-1	0	260.289	3.252	1	0		CGAFRM
Cc1cc(=O)oc2cc3oc4c(c3c([O-])c12)CCCC4	ZINC000027518448	171518856	/nfs/dbraw/zinc/51/88/56/171518856.db2.gz	GADMKJPVAMELSD-UHFFFAOYSA-N	-1	0	270.284	3.432	1	0		CGAFRM
O=c1[nH]c2cc(-c3ccc(F)cc3)ccc2cc1[O-]	ZINC000095920752	185031910	/nfs/dbraw/zinc/03/19/10/185031910.db2.gz	YFFXAOFQLPIPER-UHFFFAOYSA-N	-1	0	255.248	3.040	1	0	in-vitro	CGAFRM
O=c1cc(-c2ccccc2)nc2cc(-c3ccco3)[n-]n21	ZINC000101604774	185749361	/nfs/dbraw/zinc/74/93/61/185749361.db2.gz	NQYMDNZHTXEFML-UHFFFAOYSA-N	-1	0	277.283	3.362	1	0		CGAFRM
O=C([O-])c1cn2c(ccc3ccc(C(F)(F)F)cc32)n1	ZINC000040619938	174354174	/nfs/dbraw/zinc/35/41/74/174354174.db2.gz	UTPMLGAINJAXSX-UHFFFAOYSA-N	-1	0	280.205	3.205	1	0		CGAFRM
O=C([O-])c1cc2ccn(Cc3ccc(F)cc3F)c2cn1	ZINC000045254357	175336722	/nfs/dbraw/zinc/33/67/22/175336722.db2.gz	TVOQXBSNGFJAQX-UHFFFAOYSA-N	-1	0	288.253	3.061	1	0		CGAFRM
C[C@@H](C(=O)[O-])c1ccccc1-c1ccn(C(F)F)c(=O)c1	ZINC000045367002	175363070	/nfs/dbraw/zinc/36/30/70/175363070.db2.gz	SPWBLYVVRZOUFL-SECBINFHSA-N	-1	0	293.269	3.099	1	0		CGAFRM
C[C@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1Cl	ZINC000072107697	176317108	/nfs/dbraw/zinc/31/71/08/176317108.db2.gz	FCCYWLAYYNYUTM-ONGXEEELSA-N	-1	0	280.751	3.440	1	0		CGAFRM
O=C([O-])c1ccccc1C(=O)N[C@H]1CCCc2ccccc21	ZINC000000261279	304267010	/nfs/dbraw/zinc/26/70/10/304267010.db2.gz	GKOZHAHJPKNYTF-INIZCTEOSA-N	-1	0	295.338	3.192	3	0		CGAFRM
C[C@@]1(C(=O)[O-])C=CC2(CCCCC2)N1C(=O)c1ccccc1	ZINC000008829507	170357009	/nfs/dbraw/zinc/35/70/09/170357009.db2.gz	UOFRTRQUHYYSKU-KRWDZBQOSA-N	-1	0	299.370	3.245	3	0		CGAFRM
O=C([O-])c1ccc(Cl)cc1NC(=O)Nc1ccccn1	ZINC000013531904	170559008	/nfs/dbraw/zinc/55/90/08/170559008.db2.gz	LYJNLSVTXUEARX-UHFFFAOYSA-N	-1	0	291.694	3.077	1	0		CGAFRM
Cc1c(C(=O)[O-])cnc2cc(-c3ccc(Cl)cc3)nn21	ZINC000004992190	391922815	/nfs/dbraw/zinc/92/28/15/391922815.db2.gz	KTEJCXHMVKKPBM-UHFFFAOYSA-N	-1	0	287.706	3.056	3	0		CGAFRM
Nc1ccc(-c2nc3ccc(C(=O)[O-])cc3s2)cc1	ZINC000003656652	169906322	/nfs/dbraw/zinc/90/63/22/169906322.db2.gz	LTPKGLBZIVLTAJ-UHFFFAOYSA-N	-1	0	270.313	3.244	3	0	aggregator	CGAFRM
Cc1c(Cl)ccc2c1C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2	ZINC000038304207	174139488	/nfs/dbraw/zinc/13/94/88/174139488.db2.gz	ZHRMSIDYCXFKFH-JTQLQIEISA-N	-1	0	292.640	3.440	1	0		CGAFRM
CC[C@]1(CC(=O)[O-])OCCc2c1[nH]c1c2c(C)ccc1C	ZINC000039198788	174165813	/nfs/dbraw/zinc/16/58/13/174165813.db2.gz	GMJQNWDKGDNOKJ-QGZVFWFLSA-N	-1	0	287.359	3.437	1	0		CGAFRM
Cc1c(C(=O)[O-])nc2cc(Cl)c3ccccc3n12	ZINC000040465312	174274609	/nfs/dbraw/zinc/27/46/09/174274609.db2.gz	RSOCUJQWRANDOM-UHFFFAOYSA-N	-1	0	260.680	3.148	1	0		CGAFRM
Cc1nc(=O)c2sc3ccc(Cl)cc3c2[n-]1	ZINC000045315558	175357697	/nfs/dbraw/zinc/35/76/97/175357697.db2.gz	ZWYZINVJGGIDLR-UHFFFAOYSA-N	-1	0	250.710	3.100	1	0		CGAFRM
O=[P@@]([O-])(O)Cc1ccc(-c2ccc(Cl)cc2)cn1	ZINC000072109641	176317215	/nfs/dbraw/zinc/31/72/15/176317215.db2.gz	VMLOBMRXVOIQQC-UHFFFAOYSA-N	-1	0	283.651	3.080	1	0		CGAFRM
Cc1ccc(-c2oc3cc(C)cc([O-])c3c(=O)c2O)cc1	ZINC000069482027	560078426	/nfs/dbraw/zinc/07/84/26/560078426.db2.gz	VMFXEWYCPBWPQX-UHFFFAOYSA-N	-1	0	282.295	3.488	1	0	biogenic,in-vitro	CGAFRM
CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC[C@@H]3C(=O)[O-]	ZINC000033833846	560088010	/nfs/dbraw/zinc/08/80/10/560088010.db2.gz	FBCQEKXQPBVBAL-FIXIBIHLSA-N	-1	0	252.354	3.225	1	0	biogenic,in-vitro	CGAFRM
O=c1[nH]c2c(cccc2-c2ccc(F)cc2)cc1[O-]	ZINC000096927034	185130671	/nfs/dbraw/zinc/13/06/71/185130671.db2.gz	GHTVVDAOIISYKC-UHFFFAOYSA-N	-1	0	255.248	3.040	1	0		CGAFRM
O=C([O-])c1ccc(N2CCCN(c3ccccc3)C2=O)cc1	ZINC000028346303	134752578	/nfs/dbraw/zinc/75/25/78/134752578.db2.gz	CPTLQLYGAMINTK-UHFFFAOYSA-N	-1	0	296.326	3.222	1	0		CGAFRM
COc1ccc(C(=O)[O-])c(O)c1CC1=CCCCC1	ZINC000026645933	171494325	/nfs/dbraw/zinc/49/43/25/171494325.db2.gz	JBASNLVADVNVHZ-UHFFFAOYSA-N	-1	0	262.305	3.142	1	0		CGAFRM
CC[C@@H]1Oc2ccn([O-])c(=O)c2[C@H]2[C@H](C)C[C@H](C)C[C@]12C	ZINC000038439601	174141975	/nfs/dbraw/zinc/14/19/75/174141975.db2.gz	KRTBGHXNQMTBCL-FHSYMAMWSA-N	-1	0	291.391	3.413	1	0		CGAFRM
CC[C@@]1(CC(=O)[O-])OCCc2c1[nH]c1cccc(Cl)c12	ZINC000038880254	174158619	/nfs/dbraw/zinc/15/86/19/174158619.db2.gz	UAAJRDHCJCQAGD-HNNXBMFYSA-N	-1	0	293.750	3.474	1	0		CGAFRM
COc1ccc2nc([N-]c3nc4cc[nH]cc-4n3)sc2c1	ZINC000045210980	175328795	/nfs/dbraw/zinc/32/87/95/175328795.db2.gz	UPWKSPSZMNVKQO-UHFFFAOYSA-N	-1	0	297.343	3.320	1	0		CGAFRM
O=C([O-])CCSC(=O)Nc1ccccc1Cl	ZINC000001614285	169725604	/nfs/dbraw/zinc/72/56/04/169725604.db2.gz	LGLVHUBEDAVRSX-UHFFFAOYSA-N	-1	0	259.714	3.080	1	0		CGAFRM
C[C@@H](C(=O)[O-])c1ccc2c(c1)OC[C@H]1CCCC[C@@H]1C2=O	ZINC000027558104	171521207	/nfs/dbraw/zinc/52/12/07/171521207.db2.gz	OFVDIEAYDXBHNU-RTXFEEFZSA-N	-1	0	288.343	3.256	1	0		CGAFRM
O=C([O-])c1ccc2c(c1)CC[C@@H](Cc1cncs1)C2	ZINC000028762957	171573371	/nfs/dbraw/zinc/57/33/71/171573371.db2.gz	NVAXXXONABRZPN-SNVBAGLBSA-N	-1	0	273.357	3.189	1	0		CGAFRM
CC1(C)CCc2cc(CC(=O)[O-])cc(Cl)c2N1	ZINC000029318309	171593083	/nfs/dbraw/zinc/59/30/83/171593083.db2.gz	KGNPUFUGLVCTGO-UHFFFAOYSA-N	-1	0	253.729	3.104	1	0		CGAFRM
C[C@H](C(=O)[O-])c1ccc(-c2ccn(C(F)F)c(=O)c2)cc1	ZINC000045384402	175371056	/nfs/dbraw/zinc/37/10/56/175371056.db2.gz	GUAJOMWFUYHNPG-VIFPVBQESA-N	-1	0	293.269	3.099	1	0		CGAFRM
O=C([O-])O[C@@]12CCCCC[C@@H]1C(=O)[C@@H]1CCCC[C@@H]12	ZINC000005566920	170114291	/nfs/dbraw/zinc/11/42/91/170114291.db2.gz	BOCCQGYRMHHMSH-NWJSVONSSA-N	-1	0	266.337	3.389	1	0		CGAFRM
O=C([O-])C1(CC(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000026739495	171497557	/nfs/dbraw/zinc/49/75/57/171497557.db2.gz	XGEGNAATOLZRDK-UHFFFAOYSA-N	-1	0	273.115	3.431	1	0		CGAFRM
O=c1cc(-c2ccc(F)c(F)c2)oc2cc([O-])cc(O)c12	ZINC000072177688	176334035	/nfs/dbraw/zinc/33/40/35/176334035.db2.gz	BRBZAOQGHDVSQA-UHFFFAOYSA-N	-1	0	290.221	3.149	1	0		CGAFRM
CCCOc1ccccc1-c1nc(=O)c2sccc2[n-]1	ZINC000013755558	581097741	/nfs/dbraw/zinc/09/77/41/581097741.db2.gz	KLYGYIPIIYFVHF-UHFFFAOYSA-N	-1	0	286.356	3.440	1	0		CGAFRM
CCn1cc(CCCCCCCCCCC(=O)[O-])nn1	ZINC000096907395	185127660	/nfs/dbraw/zinc/12/76/60/185127660.db2.gz	GBQHPFBOIBIINV-UHFFFAOYSA-N	-1	0	281.400	3.436	1	0		CGAFRM
O=C([O-])c1cnn(-c2ccc(-c3ccccc3Cl)cn2)c1	ZINC000040584358	174345797	/nfs/dbraw/zinc/34/57/97/174345797.db2.gz	WEXCLOHIJAHMHC-UHFFFAOYSA-N	-1	0	299.717	3.286	1	0		CGAFRM
O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccco1	ZINC000072172270	176333214	/nfs/dbraw/zinc/33/32/14/176333214.db2.gz	AEXXYAQIOHGEDM-CQSZACIVSA-N	-1	0	292.290	3.393	1	0		CGAFRM
COc1ccc(OCC(=O)[O-])c(C2CCCCC2)c1	ZINC000028948339	171581376	/nfs/dbraw/zinc/58/13/76/171581376.db2.gz	PJEFVLZYUWCSGF-UHFFFAOYSA-N	-1	0	264.321	3.206	1	0	in-vivo	CGAFRM
Cc1coc(-c2ccc3c(c2O)CCC3)c1C(=O)[O-]	ZINC000045260970	175337071	/nfs/dbraw/zinc/33/70/71/175337071.db2.gz	AYXCDXGRBJGUFC-UHFFFAOYSA-N	-1	0	258.273	3.148	1	0		CGAFRM
CCOc1ccc2nc(SCCC(=O)[O-])sc2c1	ZINC000062203151	521308226	/nfs/dbraw/zinc/30/82/26/521308226.db2.gz	QYUVEJORWCZUPP-UHFFFAOYSA-N	-1	0	283.374	3.262	1	0		CGAFRM
COc1c(C)c(C=O)c2[nH]c3ccccc3c2c1[O-]	ZINC000006068934	560204966	/nfs/dbraw/zinc/20/49/66/560204966.db2.gz	BEJNHSBULWLOJS-UHFFFAOYSA-N	-1	0	255.273	3.156	1	0	in-vitro	CGAFRM
O=C([O-])c1cccc(Cc2ccc3[nH]ccc3c2)c1	ZINC000095573565	185010559	/nfs/dbraw/zinc/01/05/59/185010559.db2.gz	GNDUOMYRKZJJIT-UHFFFAOYSA-N	-1	0	251.285	3.457	1	0		CGAFRM
O=C([O-])[C@H]1CCCCn2c(C(=O)c3ccccc3)ccc21	ZINC000025988672	171469797	/nfs/dbraw/zinc/46/97/97/171469797.db2.gz	DOMXFRXCOAUMKC-ZDUSSCGKSA-N	-1	0	283.327	3.071	1	0		CGAFRM
COc1ccc2c(c1C(=O)[O-])Nc1ccccc1O2	ZINC000026029055	171471351	/nfs/dbraw/zinc/47/13/51/171471351.db2.gz	KBVQWLASXZRWNP-UHFFFAOYSA-N	-1	0	257.245	3.243	1	0		CGAFRM
CC[C@H]1CCc2cc(CC(=O)[O-])cc(Cl)c2N1	ZINC000029312021	171592725	/nfs/dbraw/zinc/59/27/25/171592725.db2.gz	CMHXUJHMPMREFL-JTQLQIEISA-N	-1	0	253.729	3.104	1	0		CGAFRM
CCc1cc(C)c2c(c1)C=C(C(=O)[O-])[C@H](C(F)(F)F)O2	ZINC000038352513	174141109	/nfs/dbraw/zinc/14/11/09/174141109.db2.gz	QOHGXWIDSHOGBZ-GFCCVEGCSA-N	-1	0	286.249	3.349	1	0		CGAFRM
O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccoc1	ZINC000072173363	176333794	/nfs/dbraw/zinc/33/37/94/176333794.db2.gz	BQHLDRUURXCPRO-OAHLLOKOSA-N	-1	0	292.290	3.393	1	0		CGAFRM
O=c1cc(-c2ccccc2)[nH]c2ccc([S-])cc12	ZINC000005593719	170117373	/nfs/dbraw/zinc/11/73/73/170117373.db2.gz	FAAISGQQWPATSD-UHFFFAOYSA-N	-1	0	253.326	3.484	1	0		CGAFRM
O=C([O-])/C=C/c1cccc(Nc2nc3ccccc3[nH]2)c1	ZINC000072108447	176317164	/nfs/dbraw/zinc/31/71/64/176317164.db2.gz	VUVQPBIXZWROPI-CMDGGOBGSA-N	-1	0	279.299	3.404	1	0		CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1ccc(C(F)(F)F)cc1	ZINC000095556609	185009199	/nfs/dbraw/zinc/00/91/99/185009199.db2.gz	XYYVRFQOOKECRO-UHFFFAOYSA-N	-1	0	284.237	3.026	1	0		CGAFRM
C[C@H](C(=O)[O-])c1c(F)cc(C[C@H]2CCCC2=O)cc1F	ZINC000084725127	178921246	/nfs/dbraw/zinc/92/12/46/178921246.db2.gz	OHZXPQWDYWZSKZ-WCBMZHEXSA-N	-1	0	282.286	3.065	1	0		CGAFRM
O=c1oc2ccccc2c([O-])c1[C@@H]1OCCc2ccccc21	ZINC000025980482	171469109	/nfs/dbraw/zinc/46/91/09/171469109.db2.gz	PMDFIQLKXBBTFB-QGZVFWFLSA-N	-1	0	294.306	3.161	1	0		CGAFRM
O=C(c1coc2ccc(O)cc12)c1ccccc1[O-]	ZINC000095596937	185015053	/nfs/dbraw/zinc/01/50/53/185015053.db2.gz	HBZQJAYAUAJQGC-UHFFFAOYSA-N	-1	0	254.241	3.075	1	0		CGAFRM
CC(C)Cc1noc2c1cc1c(c2Cl)O[C@@H](C(=O)[O-])C1	ZINC000025975428	171468793	/nfs/dbraw/zinc/46/87/93/171468793.db2.gz	WLMRYYZMHJUAOX-SNVBAGLBSA-N	-1	0	295.722	3.068	1	0		CGAFRM
O=C([O-])c1ccc2cccc(C(=O)C(F)(F)F)c2c1	ZINC000029219606	171590112	/nfs/dbraw/zinc/59/01/12/171590112.db2.gz	ASJPCQMGGRJUPD-UHFFFAOYSA-N	-1	0	268.190	3.283	1	0		CGAFRM
CC(C)CC(=O)C[C@@H](C)[C@H]1CC=C(C(=O)[O-])CC1	ZINC000005440558	170099538	/nfs/dbraw/zinc/09/95/38/170099538.db2.gz	XPXCWUPURKUWHC-NEPJUHHUSA-N	-1	0	252.354	3.439	1	0	in-vitro	CGAFRM
O=C([O-])CC[C@@H](O)c1ccc(OCc2ccccc2)cc1	ZINC000043372880	175029161	/nfs/dbraw/zinc/02/91/61/175029161.db2.gz	KYLXSEMIGLJJPC-MRXNPFEDSA-N	-1	0	286.327	3.164	1	0		CGAFRM
CCc1[n-]n(-c2ccc(F)cc2)c(=O)c1Oc1ccccc1	ZINC000045300286	175355163	/nfs/dbraw/zinc/35/51/63/175355163.db2.gz	LHGCDIGFIBRMBP-INIZCTEOSA-N	-1	0	298.317	3.386	1	0		CGAFRM
O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccoc1	ZINC000072173364	176333684	/nfs/dbraw/zinc/33/36/84/176333684.db2.gz	BQHLDRUURXCPRO-HNNXBMFYSA-N	-1	0	292.290	3.393	1	0		CGAFRM
O=C([O-])c1c(Cl)ccc2cc(-n3cccc3)cnc21	ZINC000063539354	526340116	/nfs/dbraw/zinc/34/01/16/526340116.db2.gz	PFWHLEAMXWPHOO-UHFFFAOYSA-N	-1	0	272.691	3.377	1	0		CGAFRM
Cc1ccc2c(n1)Oc1ccc([C@@H](C)C(=O)[O-])cc1C2	ZINC000028022282	581093104	/nfs/dbraw/zinc/09/31/04/581093104.db2.gz	FJDZVZSBZSMBTP-SNVBAGLBSA-N	-1	0	269.300	3.275	1	0		CGAFRM
O=C([O-])COc1ccc(-c2cc(-c3ccco3)no2)cc1	ZINC000169342545	188659848	/nfs/dbraw/zinc/65/98/48/188659848.db2.gz	DKTNIHAKHYXPLW-UHFFFAOYSA-N	-1	0	285.255	3.065	1	0		CGAFRM
C[C@H]1[C@@H](C(=O)Nc2ccccc2)CCC[C@@]1(C)C(=O)[O-]	ZINC000004906305	170039820	/nfs/dbraw/zinc/03/98/20/170039820.db2.gz	GYKACBKRAJXZDQ-DETPVDSQSA-N	-1	0	275.348	3.152	1	0		CGAFRM
CC(C)(OCc1cnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000027872723	171535502	/nfs/dbraw/zinc/53/55/02/171535502.db2.gz	AUZAYOWLHMOAHH-UHFFFAOYSA-N	-1	0	295.722	3.375	1	0		CGAFRM
COc1cc(C(=O)[O-])cc(O)c1-c1cc(C)cc(C)c1	ZINC000028706809	171570807	/nfs/dbraw/zinc/57/08/07/171570807.db2.gz	LFAUFWJANSSNBQ-UHFFFAOYSA-N	-1	0	272.300	3.383	1	0		CGAFRM
O=C([O-])c1n[nH]c2c1C[C@H](c1ccccc1Cl)CC2	ZINC000043075849	174962528	/nfs/dbraw/zinc/96/25/28/174962528.db2.gz	ODYKYROBPPYANR-MRVPVSSYSA-N	-1	0	276.723	3.034	1	0		CGAFRM
Cc1cc(=O)[nH]c2cc(Nc3ccccc3C(=O)[O-])ccc12	ZINC000103175070	185813285	/nfs/dbraw/zinc/81/32/85/185813285.db2.gz	UIVZIRPSSUTEOD-UHFFFAOYSA-N	-1	0	294.310	3.278	1	0		CGAFRM
COc1ccc2c(c1)CC=C1C=C(C(=O)[O-])CC[C@@]21C	ZINC000026390542	171482073	/nfs/dbraw/zinc/48/20/73/171482073.db2.gz	PGQNOHQIBCQWIM-QGZVFWFLSA-N	-1	0	270.328	3.240	1	0		CGAFRM
O=C([O-])COc1ccc2c(-c3ccoc3)noc2c1Cl	ZINC000027438437	171517473	/nfs/dbraw/zinc/51/74/73/171517473.db2.gz	AEAWWULXQNCXEZ-UHFFFAOYSA-N	-1	0	293.662	3.205	1	0		CGAFRM
O=C([O-])c1ccc(Oc2ccc(Cl)cc2O)o1	ZINC000095604520	185015611	/nfs/dbraw/zinc/01/56/11/185015611.db2.gz	GTKUURARXBEOSA-UHFFFAOYSA-N	-1	0	254.625	3.129	1	0		CGAFRM
COc1ccc2c3c(coc31)[C@H](CCC(=O)[O-])CC2	ZINC000005812972	170142409	/nfs/dbraw/zinc/14/24/09/170142409.db2.gz	GAMAFQOPMISSCA-VIFPVBQESA-N	-1	0	260.289	3.336	1	0		CGAFRM
O=C([O-])c1cc2ccn(Cc3cc(Cl)cs3)c2cn1	ZINC000045245798	175336400	/nfs/dbraw/zinc/33/64/00/175336400.db2.gz	IAOLQDHAHDNGSV-UHFFFAOYSA-N	-1	0	292.747	3.498	1	0		CGAFRM
CC(C)c1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000013154256	280642875	/nfs/dbraw/zinc/64/28/75/280642875.db2.gz	IECCRQGEQGKYIK-VZAMPYOESA-N	-1	0	299.370	3.271	1	0		CGAFRM
CC(/C=C/[C@]1(O)C(C)=CCCC1(C)C)=C/C(=O)[O-]	ZINC000028876675	171579400	/nfs/dbraw/zinc/57/94/00/171579400.db2.gz	IWHNWHGZYZTRJT-ASRXKYSOSA-N	-1	0	250.338	3.071	1	0		CGAFRM
O=C([O-])c1cc2c(=O)n(C3CCCC3)c3ccccc3n2c1	ZINC000034216348	171834575	/nfs/dbraw/zinc/83/45/75/171834575.db2.gz	DMUOLZAUGFHCGU-UHFFFAOYSA-N	-1	0	296.326	3.068	1	0		CGAFRM
Cc1cccc2c1C[C@@H](Cc1ccccc1C(=O)[O-])C2=O	ZINC000005538038	170110388	/nfs/dbraw/zinc/11/03/88/170110388.db2.gz	WPBXLAQJVPMZAI-CYBMUJFWSA-N	-1	0	280.323	3.291	1	0		CGAFRM
C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1Cl	ZINC000072107699	176317048	/nfs/dbraw/zinc/31/70/48/176317048.db2.gz	FCCYWLAYYNYUTM-GXSJLCMTSA-N	-1	0	280.751	3.440	1	0		CGAFRM
COc1ccccc1-c1coc2cc([O-])c(C)c(O)c2c1=O	ZINC000014815046	560226512	/nfs/dbraw/zinc/22/65/12/560226512.db2.gz	MNTFQBBYPKFUJE-UHFFFAOYSA-N	-1	0	298.294	3.188	1	0	biogenic,in-vitro	CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1cccc2ccccc21	ZINC000095553874	185008588	/nfs/dbraw/zinc/00/85/88/185008588.db2.gz	QLTPAMSWNJHSSB-UHFFFAOYSA-N	-1	0	266.300	3.160	1	0		CGAFRM
CCC1(C(=O)Nc2cccc(C(=O)[O-])c2O)CCCCC1	ZINC000169325350	188658753	/nfs/dbraw/zinc/65/87/53/188658753.db2.gz	NBJWMOQDTUZJPU-UHFFFAOYSA-N	-1	0	291.347	3.389	1	0		CGAFRM
COc1ccc2c3c(coc31)[C@@H](CCC(=O)[O-])CC2	ZINC000006424557	170199864	/nfs/dbraw/zinc/19/98/64/170199864.db2.gz	GAMAFQOPMISSCA-SECBINFHSA-N	-1	0	260.289	3.336	1	0		CGAFRM
O=c1c(-c2ccsc2)cnc2c(-c3ccccn3)c[n-]n21	ZINC000013493032	170556317	/nfs/dbraw/zinc/55/63/17/170556317.db2.gz	AEIRPOIEVZBBLZ-UHFFFAOYSA-N	-1	0	294.339	3.225	1	0		CGAFRM
O=C([O-])Cc1cccc2c(=O)cc(-c3ccccc3)[nH]c12	ZINC000013537679	170559644	/nfs/dbraw/zinc/55/96/44/170559644.db2.gz	QKWIYUWGRZVUIJ-UHFFFAOYSA-N	-1	0	279.295	3.235	1	0		CGAFRM
CC(C)(OCc1cc(-c2ccc(Cl)cc2)on1)C(=O)[O-]	ZINC000027871121	171535369	/nfs/dbraw/zinc/53/53/69/171535369.db2.gz	KBFVLGOWHOTIJG-UHFFFAOYSA-N	-1	0	295.722	3.375	1	0		CGAFRM
CC[C@@]1(CC(=O)[O-])OCCc2c3cccc(Cl)c3[nH]c21	ZINC000038880257	174158786	/nfs/dbraw/zinc/15/87/86/174158786.db2.gz	ZBPIBFCWQBOJLY-HNNXBMFYSA-N	-1	0	293.750	3.474	1	0		CGAFRM
O=c1nc(-c2ccc(Oc3ccccc3)cc2)[n-]o1	ZINC000096909324	185128706	/nfs/dbraw/zinc/12/87/06/185128706.db2.gz	ZABBRQNZGWLNAN-UHFFFAOYSA-N	-1	0	254.245	3.235	1	0		CGAFRM
COC[C@H]1C[C@@]23C(=C1C(=O)[O-])C[C@@H](CC[C@H]2C)C3(C)C	ZINC000085549142	290864187	/nfs/dbraw/zinc/86/41/87/290864187.db2.gz	MDLDFAOLBZGZAG-VFFPBDHRSA-N	-1	0	278.392	3.496	1	0	biogenic,in-vitro	CGAFRM
CC(C)c1ccccc1NC(=O)CCc1n[n-]c(=S)o1	ZINC000005733807	170135310	/nfs/dbraw/zinc/13/53/10/170135310.db2.gz	DWWDYKFQMUISQW-UHFFFAOYSA-N	-1	0	291.376	3.427	1	0		CGAFRM
C[C@](O)(/C=C/c1ccccc1)[P@@](=O)([O-])c1ccccc1	ZINC000005955666	170162250	/nfs/dbraw/zinc/16/22/50/170162250.db2.gz	VVGDBQDQVJSODU-CJTWTEFWSA-N	-1	0	288.283	3.004	1	0		CGAFRM
CCOc1cc(C(=O)[O-])cc(-c2c(C)noc2C)c1	ZINC000072117097	176318891	/nfs/dbraw/zinc/31/88/91/176318891.db2.gz	GAMMHRRBGXCHRX-UHFFFAOYSA-N	-1	0	261.277	3.055	1	0	in-vitro	CGAFRM
CSC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000028099397	171547378	/nfs/dbraw/zinc/54/73/78/171547378.db2.gz	UVVSNULRSVITMO-DJKIJDTLSA-N	-1	0	284.421	3.344	1	0		CGAFRM
Cc1ccc2c(n1)Oc1ccc([C@H](C)C(=O)[O-])cc1C2	ZINC000028022287	581093139	/nfs/dbraw/zinc/09/31/39/581093139.db2.gz	FJDZVZSBZSMBTP-JTQLQIEISA-N	-1	0	269.300	3.275	1	0		CGAFRM
CCCCCSc1nc2ccccc2n1CC(=O)[O-]	ZINC000084654795	178910704	/nfs/dbraw/zinc/91/07/04/178910704.db2.gz	SCRTXMQYWIWMKF-UHFFFAOYSA-N	-1	0	278.377	3.403	1	0		CGAFRM
CC(C)=CCC[C@](C)(O)[C@H]1CC=C(C(=O)[O-])CC1	ZINC000013377292	290861860	/nfs/dbraw/zinc/86/18/60/290861860.db2.gz	FDUZTAGLNCBNSN-ZFWWWQNUSA-N	-1	0	252.354	3.295	1	0	biogenic,in-vitro	CGAFRM
COc1ccc2[nH]c3c(c2c1)c([O-])c(OC)c(C)c3C=O	ZINC000006068932	170173491	/nfs/dbraw/zinc/17/34/91/170173491.db2.gz	IKDLNWPZGYBNSQ-UHFFFAOYSA-N	-1	0	285.299	3.165	1	0	in-vitro	CGAFRM
Cc1cc(Cl)c2c(c1)C=C(C(=O)[O-])[C@H](C(F)(F)F)O2	ZINC000013916183	170607490	/nfs/dbraw/zinc/60/74/90/170607490.db2.gz	DIUCLSCBUOAEQY-SNVBAGLBSA-N	-1	0	292.640	3.440	1	0		CGAFRM
O=C([O-])Cc1cc2c(c(C(=O)c3ccccc3)c1)SCC2	ZINC000026398333	171482518	/nfs/dbraw/zinc/48/25/18/171482518.db2.gz	MMFITRZFNMVNKF-UHFFFAOYSA-N	-1	0	298.363	3.193	1	0		CGAFRM
O=Cc1c[nH]c2cc(Cc3cccc(C(=O)[O-])c3)ccc12	ZINC000049053460	527144213	/nfs/dbraw/zinc/14/42/13/527144213.db2.gz	XUYPMALPWYAOJC-UHFFFAOYSA-N	-1	0	279.295	3.269	1	0		CGAFRM
CCOC(=O)c1cc(=O)c2c3[nH]c(C)c(C)c3cc(C)c2[n-]1	ZINC000004626513	169991829	/nfs/dbraw/zinc/99/18/29/169991829.db2.gz	LIIZEDDUZSXQRG-UHFFFAOYSA-N	-1	0	298.342	3.111	1	0		CGAFRM
Cn1cc(C(=O)c2ccc(Cl)cc2)cc1/C=C/C(=O)[O-]	ZINC000026718082	171496477	/nfs/dbraw/zinc/49/64/77/171496477.db2.gz	BHIFJQIVVOMCNT-VOTSOKGWSA-N	-1	0	289.718	3.007	1	0		CGAFRM
O=C([O-])Cc1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O	ZINC000027558724	171522022	/nfs/dbraw/zinc/52/20/22/171522022.db2.gz	OOHCOZRHELKLTO-VXGBXAGGSA-N	-1	0	290.384	3.409	1	0		CGAFRM
COc1ccc2sc(SC(C)(C)C(=O)[O-])nc2c1	ZINC000045300230	175354940	/nfs/dbraw/zinc/35/49/40/175354940.db2.gz	HCCXGCKRIQEGGQ-UHFFFAOYSA-N	-1	0	283.374	3.260	1	0		CGAFRM
O=C([O-])c1ccc(O)c(Cc2ccc3cc[nH]c3c2)c1	ZINC000095577248	185011580	/nfs/dbraw/zinc/01/15/80/185011580.db2.gz	MIIPNKNMULOYTC-UHFFFAOYSA-N	-1	0	267.284	3.163	1	0		CGAFRM
Cc1c([O-])c(=O)[nH]c2cc(-c3ccc(F)cc3)ccc12	ZINC000096923950	185130883	/nfs/dbraw/zinc/13/08/83/185130883.db2.gz	OPNXLTFTCNOERW-UHFFFAOYSA-N	-1	0	269.275	3.348	1	0		CGAFRM
Cc1ccc(Cn2c(=O)cc(C(=O)[O-])c3ccccc32)cc1	ZINC000000259386	169589695	/nfs/dbraw/zinc/58/96/95/169589695.db2.gz	MWGJYWLQARXBNZ-UHFFFAOYSA-N	-1	0	293.322	3.056	3	0		CGAFRM
Cc1cc(=O)oc2cc([O-])c3c4c(oc3c12)CCCC4	ZINC000040566790	174337869	/nfs/dbraw/zinc/33/78/69/174337869.db2.gz	AKYIDQJLYQSAHW-UHFFFAOYSA-N	-1	0	270.284	3.432	1	0		CGAFRM
O=C([O-])c1cnc2sccc2c1Nc1ccccc1	ZINC000040835820	174418543	/nfs/dbraw/zinc/41/85/43/174418543.db2.gz	RQQDVTLTIHXXQB-UHFFFAOYSA-N	-1	0	270.313	3.160	1	0		CGAFRM
O=c1c(-c2cccc(F)c2)coc2cc([O-])ccc12	ZINC000045316496	175357773	/nfs/dbraw/zinc/35/77/73/175357773.db2.gz	FJUORDALKHVXDF-UHFFFAOYSA-N	-1	0	256.232	3.305	1	0		CGAFRM
COc1cc([O-])cc2oc(-c3ccccc3)c(OC)c(=O)c12	ZINC000028346780	560091751	/nfs/dbraw/zinc/09/17/51/560091751.db2.gz	BUNIGAWIPPRWMH-UHFFFAOYSA-N	-1	0	298.294	3.183	1	0	biogenic,in-vitro	CGAFRM
O=C([O-])c1ccc2cc(-c3n[nH]c4ccccc43)[nH]c2c1	ZINC000038352269	174140616	/nfs/dbraw/zinc/14/06/16/174140616.db2.gz	LGCYYLQERLQEPI-UHFFFAOYSA-N	-1	0	277.283	3.409	1	0		CGAFRM
O=C([O-])CCc1ccc(CNc2ccccc2)cc1	ZINC000071318657	176122147	/nfs/dbraw/zinc/12/21/47/176122147.db2.gz	UTOCZNUFZTYDBZ-UHFFFAOYSA-N	-1	0	255.317	3.316	1	0		CGAFRM
C[C@@H]1C[C@@](C)(O)C[C@@H]2C=C[C@H](C)[C@H](/C=C/C=C/C(=O)[O-])[C@@H]12	ZINC000095918878	560054840	/nfs/dbraw/zinc/05/48/40/560054840.db2.gz	GGRDDTWLVPZMAU-GRMGSOJRSA-N	-1	0	290.403	3.419	1	0	biogenic,in-vitro	CGAFRM
CC(=O)O[C@@H]1CC(C)=C2[C@@H]1[C@@H](C)CC[C@H]2/C=C(\C)C(=O)[O-]	ZINC000013783220	571704663	/nfs/dbraw/zinc/70/46/63/571704663.db2.gz	VBBXZFLAYWAXSK-XTTGMEPRSA-N	-1	0	292.375	3.332	1	0	endogenous,in-man	CGAFRM
COc1ccc(C(=O)[O-])cc1Cc1ccc2cc[nH]c2c1	ZINC000095576040	185010877	/nfs/dbraw/zinc/01/08/77/185010877.db2.gz	UXNBJUBCGOJILX-UHFFFAOYSA-N	-1	0	281.311	3.466	1	0		CGAFRM
O=C([O-])c1cnn(-c2ccc(-c3cccc(Cl)c3)cn2)c1	ZINC000040577068	174342197	/nfs/dbraw/zinc/34/21/97/174342197.db2.gz	YJAUDOXFMVFAKY-UHFFFAOYSA-N	-1	0	299.717	3.286	1	0		CGAFRM
CCOc1ccc(-c2ccnc(C3CC3)n2)cc1C(=O)[O-]	ZINC000071749956	176259414	/nfs/dbraw/zinc/25/94/14/176259414.db2.gz	WEVAENBRRXUQSN-UHFFFAOYSA-N	-1	0	284.315	3.118	1	0		CGAFRM
O=C([O-])[C@@H]1CCc2c(cnn2-c2cccc3ccccc32)C1	ZINC000108247417	186208576	/nfs/dbraw/zinc/20/85/76/186208576.db2.gz	XNRXPTXHTDQKCC-CYBMUJFWSA-N	-1	0	292.338	3.215	1	0		CGAFRM
O=C([O-])Cc1ccccc1OCc1ccc2ccccc2n1	ZINC000026495075	171488384	/nfs/dbraw/zinc/48/83/84/171488384.db2.gz	IGNJOKRVAFMUIC-UHFFFAOYSA-N	-1	0	293.322	3.441	1	0		CGAFRM
CCc1ccc2c(Cl)cc3nc(C(=O)[O-])cn3c2c1	ZINC000040619941	174354285	/nfs/dbraw/zinc/35/42/85/174354285.db2.gz	MOGDFRFUWTZDJP-UHFFFAOYSA-N	-1	0	274.707	3.402	1	0		CGAFRM
C[C@H](CC[C@@H]1C(C)(C)CCC[C@@]1(C)O)CC(=O)[O-]	ZINC000014447342	560102604	/nfs/dbraw/zinc/10/26/04/560102604.db2.gz	XHIZLLMJEWQQGF-LALPHHSUSA-N	-1	0	256.386	3.455	1	0	biogenic	CGAFRM
CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)[O-])CC1	ZINC000005440578	170099320	/nfs/dbraw/zinc/09/93/20/170099320.db2.gz	XPXCWUPURKUWHC-RYUDHWBXSA-N	-1	0	252.354	3.439	1	0		CGAFRM
O=C([O-])[C@H]1Cc2[nH]c3ccccc3c2[C@H]2CCC[C@H]21	ZINC000005839182	170146302	/nfs/dbraw/zinc/14/63/02/170146302.db2.gz	KLONMZIUAZJRTF-SCVCMEIPSA-N	-1	0	255.317	3.309	1	0		CGAFRM
O=C([O-])[C@H]1Cc2cc3c(cc2O1)onc3-c1ccccc1F	ZINC000025975312	171468860	/nfs/dbraw/zinc/46/88/60/171468860.db2.gz	BSULOYSUIFCJMA-CQSZACIVSA-N	-1	0	299.257	3.022	1	0		CGAFRM
Cc1c(C(=O)[O-])nc2ccc3ccc(Cl)cc3n12	ZINC000040631407	174358605	/nfs/dbraw/zinc/35/86/05/174358605.db2.gz	LVUVZGTWIDBBHG-UHFFFAOYSA-N	-1	0	260.680	3.148	1	0		CGAFRM
Cc1cc(-c2ccccc2)nn1-c1nc(C(=O)[O-])cs1	ZINC000096938273	185132790	/nfs/dbraw/zinc/13/27/90/185132790.db2.gz	HQUQNDMWUNYECN-UHFFFAOYSA-N	-1	0	285.328	3.002	1	0		CGAFRM
CCOc1ccc2nc(S[C@H](C)C(=O)[O-])sc2c1	ZINC000045299286	175354932	/nfs/dbraw/zinc/35/49/32/175354932.db2.gz	VETOKHCXYIEOOU-SSDOTTSWSA-N	-1	0	283.374	3.260	1	0		CGAFRM
CC/C(=C\c1ccc(C(=O)[O-])cc1Cl)[N+](=O)[O-]	ZINC000039202446	174165660	/nfs/dbraw/zinc/16/56/60/174165660.db2.gz	GLPNUWLNJFAPGT-WEVVVXLNSA-N	-1	0	255.657	3.066	1	0		CGAFRM
O=C([O-])C[C@@H](O)CCc1ccc(-c2ccccc2)cc1	ZINC000045285503	175353646	/nfs/dbraw/zinc/35/36/46/175353646.db2.gz	ILGSIIFHQGOKKV-INIZCTEOSA-N	-1	0	270.328	3.122	1	0	in-vivo	CGAFRM
CC[C@@]1(CC(=O)[O-])OCCc2c1[nH]c1cccc(C)c12	ZINC000169341329	188659709	/nfs/dbraw/zinc/65/97/09/188659709.db2.gz	LVMGIJASPSQWCB-INIZCTEOSA-N	-1	0	273.332	3.129	1	0		CGAFRM
COc1ccc2oc(=O)c(CC=C(C)C)c([O-])c2c1C	ZINC000006483623	170205085	/nfs/dbraw/zinc/20/50/85/170205085.db2.gz	DTYFCYVJWTYSBV-UHFFFAOYSA-N	-1	0	274.316	3.324	1	0		CGAFRM
Cc1ccc2[nH]c(-c3ccc(SCC(=O)[O-])nc3)nc2c1	ZINC000006529862	170210617	/nfs/dbraw/zinc/21/06/17/170210617.db2.gz	VUTJLUDVOOTRGZ-UHFFFAOYSA-N	-1	0	299.355	3.110	3	0		CGAFRM
O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1CCCO	ZINC000013490379	170555952	/nfs/dbraw/zinc/55/59/52/170555952.db2.gz	SZCMYKPIOMXLHM-UHFFFAOYSA-N	-1	0	288.130	3.098	1	0		CGAFRM
O=c1[nH]c2ccc(Cl)c(Cl)c2c(Cl)c1[O-]	ZINC000027560627	171521645	/nfs/dbraw/zinc/52/16/45/171521645.db2.gz	OKSJMGPITVNDKG-UHFFFAOYSA-N	-1	0	264.495	3.194	1	0		CGAFRM
CC[C@H](C)Oc1nccc(Nc2ccccc2C(=O)[O-])n1	ZINC000028709099	171570892	/nfs/dbraw/zinc/57/08/92/171570892.db2.gz	XCPPZXZCQFKXQJ-JTQLQIEISA-N	-1	0	287.319	3.096	1	0	in-vivo	CGAFRM
O=C([O-])c1ccc2[nH]cc(/C=C/c3cccnc3)c2c1	ZINC000072106821	176316246	/nfs/dbraw/zinc/31/62/46/176316246.db2.gz	GYDGTRQXBZDYCC-ONEGZZNKSA-N	-1	0	264.284	3.432	1	0		CGAFRM
COc1ccc(-c2coc3cccc(=O)c-3c2O)cc1	ZINC000015060713	560228198	/nfs/dbraw/zinc/22/81/98/560228198.db2.gz	YCUNGEJJOMKCGZ-UHFFFAOYSA-N	-1	0	268.268	3.174	1	0	biogenic,in-vitro	CGAFRM
COc1ccc(-c2coc3cc([O-])ccc3c2=O)c(OC)c1	ZINC000006145666	170179308	/nfs/dbraw/zinc/17/93/08/170179308.db2.gz	SSRCYGATNWFTBJ-UHFFFAOYSA-N	-1	0	298.294	3.183	3	0	in-vitro	CGAFRM
CC[C@@]1(CC(=O)[O-])OCCc2c3ccc(Cl)cc3[nH]c21	ZINC000039198739	174165626	/nfs/dbraw/zinc/16/56/26/174165626.db2.gz	UNRUGUODWCQQNT-HNNXBMFYSA-N	-1	0	293.750	3.474	1	0		CGAFRM
O=C([O-])c1ccc2c3c1C(=O)N(c1ccccc1)C3=CCC2	ZINC000040414344	174255648	/nfs/dbraw/zinc/25/56/48/174255648.db2.gz	HNUHHUIPCSZFFI-UHFFFAOYSA-N	-1	0	291.306	3.332	1	0		CGAFRM
C/C(=C\[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@@]213)C(=O)[O-]	ZINC000072320600	176368808	/nfs/dbraw/zinc/36/88/08/176368808.db2.gz	OZFIJBRLEXJLPY-PYCJFAQESA-N	-1	0	250.338	3.001	1	0		CGAFRM
CC(C)(C)OC(=O)NCCCCCCOC(=S)[S-]	ZINC000096908195	185128427	/nfs/dbraw/zinc/12/84/27/185128427.db2.gz	NBNIBGXTNNQLBP-UHFFFAOYSA-N	-1	0	293.454	3.303	1	0		CGAFRM
C[C@H]1[C@H](C(=O)Nc2ccccc2)CCC[C@@]1(C)C(=O)[O-]	ZINC000004906302	170040079	/nfs/dbraw/zinc/04/00/79/170040079.db2.gz	GYKACBKRAJXZDQ-NORZTCDRSA-N	-1	0	275.348	3.152	1	0		CGAFRM
CCN(CC)C(=S)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000034400630	171838465	/nfs/dbraw/zinc/83/84/65/171838465.db2.gz	VMSMNSGVPXMUGY-UHFFFAOYSA-N	-1	0	286.422	3.102	1	0		CGAFRM
Cc1cnc2c(c1)Cc1cc([C@H](C)C(=O)[O-])ccc1O2	ZINC000028094477	171547618	/nfs/dbraw/zinc/54/76/18/171547618.db2.gz	FHBSUHOKGAKIKI-JTQLQIEISA-N	-1	0	269.300	3.275	1	0		CGAFRM
CCSC1=C(/C=C/C(=O)[O-])CCc2c1cc(C)n2C	ZINC000028524977	171561809	/nfs/dbraw/zinc/56/18/09/171561809.db2.gz	AXIANLHLHPWXRF-SOFGYWHQSA-N	-1	0	277.389	3.385	1	0		CGAFRM
CC[C@]1(CC(=O)[O-])OCCc2c1[nH]c1cccc(Cl)c12	ZINC000038880256	174158665	/nfs/dbraw/zinc/15/86/65/174158665.db2.gz	UAAJRDHCJCQAGD-OAHLLOKOSA-N	-1	0	293.750	3.474	1	0		CGAFRM
CCCCCCc1sc2[nH]c(C(=O)[O-])nc(=O)c2c1C	ZINC000039240754	174166881	/nfs/dbraw/zinc/16/68/81/174166881.db2.gz	QWCMDCYZTZPEHQ-UHFFFAOYSA-N	-1	0	294.376	3.114	1	0		CGAFRM
O=C([O-])CCCC(=O)n1ccc2ccc(Cl)cc21	ZINC000095590239	185014408	/nfs/dbraw/zinc/01/44/08/185014408.db2.gz	RKAWAGHUPPYAES-UHFFFAOYSA-N	-1	0	265.696	3.190	1	0		CGAFRM
O=C([O-])Cc1ccc2c(c1)C(=O)[C@H]1CCCC[C@@H]1CS2	ZINC000027560617	171521922	/nfs/dbraw/zinc/52/19/22/171521922.db2.gz	TUFLGFQROLYJDR-NEPJUHHUSA-N	-1	0	290.384	3.409	1	0		CGAFRM
O=c1cc([O-])c2ccc3c(c2o1)C=CC1(CCCC1)O3	ZINC000040975871	174443956	/nfs/dbraw/zinc/44/39/56/174443956.db2.gz	LHGDPJDGGMTSNT-UHFFFAOYSA-N	-1	0	270.284	3.217	1	0		CGAFRM
C[C@@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1Cl	ZINC000072107700	176317263	/nfs/dbraw/zinc/31/72/63/176317263.db2.gz	FCCYWLAYYNYUTM-MWLCHTKSSA-N	-1	0	280.751	3.440	1	0		CGAFRM
O=c1c2ccc([O-])cc2sn1-c1ccc(Cl)cc1	ZINC000072175522	176334216	/nfs/dbraw/zinc/33/42/16/176334216.db2.gz	UJDIPPJSPINUAN-UHFFFAOYSA-N	-1	0	277.732	3.411	1	0		CGAFRM
O=c1cc(-c2ccc(F)cc2)oc2cc([O-])ccc12	ZINC000087722925	304816837	/nfs/dbraw/zinc/81/68/37/304816837.db2.gz	QYMCHAPZDGUGJB-UHFFFAOYSA-N	-1	0	256.232	3.305	1	0		CGAFRM
CC(/C=C/[C@@]1(O)C(C)=CCCC1(C)C)=C/C(=O)[O-]	ZINC000028876669	171579625	/nfs/dbraw/zinc/57/96/25/171579625.db2.gz	IWHNWHGZYZTRJT-NXECVXFDSA-N	-1	0	250.338	3.071	1	0		CGAFRM
CCC[C@@]1(CCc2ccc(OC)cc2)CC([O-])=CC(=O)O1	ZINC000034058155	171830520	/nfs/dbraw/zinc/83/05/20/171830520.db2.gz	OPYWQBGRCSBQOW-QGZVFWFLSA-N	-1	0	290.359	3.073	1	0		CGAFRM
O=c1cc(O)c2ccc(-c3ccc(O)cc3)oc-2c1	ZINC000000897607	560179092	/nfs/dbraw/zinc/17/90/92/560179092.db2.gz	ZKMZBAABQFUXFE-UHFFFAOYSA-O	-1	0	255.249	3.498	1	0	in-vitro	CGAFRM
COc1cc(C)c2c3cc(O)cc(C(=O)[O-])c3oc2c1O	ZINC000006521580	571691072	/nfs/dbraw/zinc/69/10/72/571691072.db2.gz	YRDAFVVZXCAVIU-UHFFFAOYSA-N	-1	0	288.255	3.012	1	0	endogenous,in-man	CGAFRM
O=C([O-])C1(c2cccc(C(=O)c3ccccc3)c2)CC1	ZINC000095578290	185011344	/nfs/dbraw/zinc/01/13/44/185011344.db2.gz	ONYAAJYXXYEPJI-UHFFFAOYSA-N	-1	0	266.296	3.034	1	0		CGAFRM
O=C([O-])C(=S)Cc1c[nH]c2cccc(Br)c12	ZINC000169325399	188658714	/nfs/dbraw/zinc/65/87/14/188658714.db2.gz	CTQACZBZDJBGLG-WTKPLQERSA-N	-1	0	298.161	3.286	1	0		CGAFRM
O=C([O-])C(=O)C1C=C(c2ccccc2)c2ccccc21	ZINC000031829692	171649356	/nfs/dbraw/zinc/64/93/56/171649356.db2.gz	BBZJCILULATKFU-FOCLMDBBSA-N	-1	0	264.280	3.486	1	0		CGAFRM
c1csc([N-]c2nc3c(s2)CCCc2n[nH]cc2-3)n1	ZINC000072116985	176318854	/nfs/dbraw/zinc/31/88/54/176318854.db2.gz	WHBLDZJCHZAMKR-UHFFFAOYSA-N	-1	0	289.389	3.222	1	0		CGAFRM
O=c1c2c([n-]n1-c1ccccn1)-c1ccccc1SC2	ZINC000100053214	185703095	/nfs/dbraw/zinc/70/30/95/185703095.db2.gz	KVRZZCLETMITEW-UHFFFAOYSA-N	-1	0	281.340	3.246	1	0		CGAFRM
O=C([O-])c1cnn(-c2ccc(-c3ccc(Cl)cc3)cn2)c1	ZINC000040577107	174342095	/nfs/dbraw/zinc/34/20/95/174342095.db2.gz	FAYCSSACEXSLJR-UHFFFAOYSA-N	-1	0	299.717	3.286	1	0		CGAFRM
O=c1c2ccc([O-])cc2occ1-c1ccc(F)cc1F	ZINC000045289467	175354186	/nfs/dbraw/zinc/35/41/86/175354186.db2.gz	NDBCHKGMGDKTQE-UHFFFAOYSA-N	-1	0	274.222	3.444	1	0		CGAFRM
C[C@@](O)(/C=C/c1ccccc1)[P@@](=O)([O-])c1ccccc1	ZINC000005955668	170162296	/nfs/dbraw/zinc/16/22/96/170162296.db2.gz	VVGDBQDQVJSODU-DBTPVHCXSA-N	-1	0	288.283	3.004	1	0		CGAFRM
O=C([O-])CCCCCCNC(=O)C/C=C/c1ccccc1	ZINC000040504223	174300421	/nfs/dbraw/zinc/30/04/21/174300421.db2.gz	PQVYOKYHLHFWDP-DHZHZOJOSA-N	-1	0	289.375	3.241	1	0		CGAFRM
COc1cc2c(=O)cc(-c3ccccc3)oc2cc1[O-]	ZINC000013322309	571697083	/nfs/dbraw/zinc/69/70/83/571697083.db2.gz	BJBKXYIIWYIZCX-UHFFFAOYSA-N	-1	0	268.268	3.174	1	0	endogenous,in-man	CGAFRM
C[C@H](C(=O)[O-])c1c(F)cc(C[C@@H]2CCCC2=O)cc1F	ZINC000084725120	178920868	/nfs/dbraw/zinc/92/08/68/178920868.db2.gz	OHZXPQWDYWZSKZ-WPRPVWTQSA-N	-1	0	282.286	3.065	1	0		CGAFRM
Cc1cc(F)ccc1NCc1cc(C(=O)[O-])cc(Cl)n1	ZINC000040827852	184550097	/nfs/dbraw/zinc/55/00/97/184550097.db2.gz	IBJHFXWULONXCF-UHFFFAOYSA-N	-1	0	294.713	3.493	1	0		CGAFRM
CC(C)CC(=O)C[C@@H](C)[C@@H]1CC=C(C(=O)[O-])CC1	ZINC000005440564	170099400	/nfs/dbraw/zinc/09/94/00/170099400.db2.gz	XPXCWUPURKUWHC-VXGBXAGGSA-N	-1	0	252.354	3.439	1	0		CGAFRM
CC[C@]1(CC(=O)[O-])OCCc2c3cccc(Cl)c3[nH]c21	ZINC000038880259	174158974	/nfs/dbraw/zinc/15/89/74/174158974.db2.gz	ZBPIBFCWQBOJLY-OAHLLOKOSA-N	-1	0	293.750	3.474	1	0		CGAFRM
CCOC(=O)c1nc(=O)c2c(C)c(CC(C)C)sc2[n-]1	ZINC000039240748	174166982	/nfs/dbraw/zinc/16/69/82/174166982.db2.gz	KVJLQCCMHVWRHJ-UHFFFAOYSA-N	-1	0	294.376	3.081	1	0		CGAFRM
C[C@@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1Cl	ZINC000072107698	176317191	/nfs/dbraw/zinc/31/71/91/176317191.db2.gz	FCCYWLAYYNYUTM-KOLCDFICSA-N	-1	0	280.751	3.440	1	0		CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1cc2ccccc2s1	ZINC000072317475	176368930	/nfs/dbraw/zinc/36/89/30/176368930.db2.gz	ADYPGEBADRLHCY-UHFFFAOYSA-N	-1	0	272.329	3.222	1	0		CGAFRM
Cc1cc(O)cc2oc3c(cc(O)cc3C(=O)[O-])c21	ZINC000006521996	571690790	/nfs/dbraw/zinc/69/07/90/571690790.db2.gz	XERKTCDLFDGUHP-UHFFFAOYSA-N	-1	0	258.229	3.004	1	0	endogenous,in-man	CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1ccc2ccccc2c1	ZINC000095555291	185008053	/nfs/dbraw/zinc/00/80/53/185008053.db2.gz	SKKKIZZWBZXBKL-UHFFFAOYSA-N	-1	0	266.300	3.160	1	0		CGAFRM
Cc1c(Cl)c2c(cc1OCC(=O)[O-])C[C@H](C(C)C)C2=O	ZINC000169343366	188659647	/nfs/dbraw/zinc/65/96/47/188659647.db2.gz	BUPDYGRVFFOYOF-SNVBAGLBSA-N	-1	0	296.750	3.123	1	0		CGAFRM
C[C@]1(C(=O)[O-])C=CC2(CCCCC2)N1C(=O)c1ccccc1	ZINC000008829506	170357131	/nfs/dbraw/zinc/35/71/31/170357131.db2.gz	UOFRTRQUHYYSKU-QGZVFWFLSA-N	-1	0	299.370	3.245	3	0		CGAFRM
Cc1cc(C)cc(-c2c(O)cc(C(=O)[O-])cc2O)c1	ZINC000028706808	171571033	/nfs/dbraw/zinc/57/10/33/171571033.db2.gz	XGSSKHPISKJQLS-UHFFFAOYSA-N	-1	0	258.273	3.080	1	0		CGAFRM
O=C([O-])c1cc2cc(-c3ccc(F)cc3)ccc2n1O	ZINC000073129505	176453999	/nfs/dbraw/zinc/45/39/99/176453999.db2.gz	CLKIGKKFWNIRSM-UHFFFAOYSA-N	-1	0	271.247	3.383	1	0		CGAFRM
COc1ccc(-c2coc3c(ccc([O-])c3OC)c2=O)cc1	ZINC000018847039	560094348	/nfs/dbraw/zinc/09/43/48/560094348.db2.gz	SELGEUSJRWRBQR-UHFFFAOYSA-N	-1	0	298.294	3.183	1	0	biogenic,in-vitro	CGAFRM
C[C@@H]1CC[C@@]2(C)C(CO)=CCC[C@H]2[C@@]1(C)CC(=O)[O-]	ZINC000014764922	560225953	/nfs/dbraw/zinc/22/59/53/560225953.db2.gz	AZQCRCMLZNZEPJ-OYNZBZHQSA-N	-1	0	266.381	3.232	1	0	biogenic,in-vitro	CGAFRM
CC(=O)O[C@@H]1CC(C)=C2[C@@H]1[C@@H](C)CC[C@@H]2/C=C(\C)C(=O)[O-]	ZINC000013783222	571704427	/nfs/dbraw/zinc/70/44/27/571704427.db2.gz	VBBXZFLAYWAXSK-NRZQUQBLSA-N	-1	0	292.375	3.332	1	0	endogenous,in-man	CGAFRM
O=C([O-])CCCC(=O)n1ccc2cc(Cl)ccc21	ZINC000095587355	185011770	/nfs/dbraw/zinc/01/17/70/185011770.db2.gz	NXNLILGWWQNCLQ-UHFFFAOYSA-N	-1	0	265.696	3.190	1	0		CGAFRM
O=c1[nH]c2ccc(-c3ccc(F)cc3)cc2cc1[O-]	ZINC000096927033	185131538	/nfs/dbraw/zinc/13/15/38/185131538.db2.gz	CZOVCISUSZAKBD-UHFFFAOYSA-N	-1	0	255.248	3.040	1	0		CGAFRM
O=C([O-])c1n[nH]c2c1C[C@@H](c1ccccc1Cl)CC2	ZINC000043075852	174962323	/nfs/dbraw/zinc/96/23/23/174962323.db2.gz	ODYKYROBPPYANR-QMMMGPOBSA-N	-1	0	276.723	3.034	1	0		CGAFRM
Cc1[nH]nc(C(=O)[O-])c1Cc1cccc(-c2ccncc2)c1	ZINC000095557245	185009362	/nfs/dbraw/zinc/00/93/62/185009362.db2.gz	OKLLFGJYTCFXIM-UHFFFAOYSA-N	-1	0	293.326	3.069	1	0		CGAFRM
C[C@@H](C(=O)[O-])c1cc(F)c(C[C@@H]2CCCC2=O)cc1F	ZINC000084727823	178921687	/nfs/dbraw/zinc/92/16/87/178921687.db2.gz	MRGAGLMRLADBRP-BDAKNGLRSA-N	-1	0	282.286	3.065	1	0		CGAFRM
C[C@@H]1C[C@H](C)[C@H]2c3c(ccn([O-])c3=O)O[C@H](C)[C@@]2(C)C1	ZINC000038340758	174140422	/nfs/dbraw/zinc/14/04/22/174140422.db2.gz	YXWXVUSGNDTEJY-LRXDAGSUSA-N	-1	0	277.364	3.022	1	0		CGAFRM
Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1ccc(F)cc1	ZINC000103741333	300896437	/nfs/dbraw/zinc/89/64/37/300896437.db2.gz	RLVAUZRACRMJHB-UHFFFAOYSA-N	-1	0	297.333	3.016	3	0		CGAFRM
Cc1c2scc(Br)c2n(C)c1C(=O)[O-]	ZINC000084714347	178919447	/nfs/dbraw/zinc/91/94/47/178919447.db2.gz	DYAZHSFEBDLHMN-UHFFFAOYSA-N	-1	0	274.139	3.009	1	0		CGAFRM
O=C([O-])O[C@@]12CCCCC[C@H]1C(=O)[C@@H]1CCCC[C@@H]12	ZINC000005566966	170114349	/nfs/dbraw/zinc/11/43/49/170114349.db2.gz	BOCCQGYRMHHMSH-OXJKWZBOSA-N	-1	0	266.337	3.389	1	0		CGAFRM
COc1ccc(-c2c3ccccc3c(=O)oc2C(=O)[O-])cc1	ZINC000006817470	170246045	/nfs/dbraw/zinc/24/60/45/170246045.db2.gz	YHPFGSWQHJJZJM-UHFFFAOYSA-N	-1	0	296.278	3.167	1	0		CGAFRM
COc1cc(OC)cc(-c2cc3ccc([O-])cc3oc2=O)c1	ZINC000028566175	171563666	/nfs/dbraw/zinc/56/36/66/171563666.db2.gz	WXKGVVRNONGIIA-UHFFFAOYSA-N	-1	0	298.294	3.183	1	0		CGAFRM
CC(C)CCN(CCC(C)C)c1cc(C(=O)[O-])n[nH]1	ZINC000043022081	174945409	/nfs/dbraw/zinc/94/54/09/174945409.db2.gz	GPNCYCRENCHIDB-UHFFFAOYSA-N	-1	0	267.373	3.007	1	0		CGAFRM