smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H](C(=O)[O-])c1ccc(Oc2ccccc2)cc1	ZINC000004202361	398212434	/nfs/dbraw/zinc/21/24/34/398212434.db2.gz	MOHPYKSOEQKFBU-ZDUSSCGKSA-N	-1	3	243.262	2.563	40	0		BFABHM
Cc1ccc(C(=O)Nc2ccccc2[O-])o1	ZINC000069515817	343283586	/nfs/dbraw/zinc/28/35/86/343283586.db2.gz	KUTZTKKWNRBUOT-UHFFFAOYSA-N	-1	3	217.224	2.546	40	0		BFABHM
CC(C)N(CC(=O)[O-])Cc1ccccc1Cl	ZINC000032099981	343290516	/nfs/dbraw/zinc/29/05/16/343290516.db2.gz	BUKYRABPKUDBPC-UHFFFAOYSA-N	-1	3	241.718	2.635	40	0		BFABHM
CC1=Cc2ccccc2[C@@H]1NC(C)(C)C(=O)[O-]	ZINC000008730716	346563572	/nfs/dbraw/zinc/56/35/72/346563572.db2.gz	SVXJLZKBHFCAOT-GFCCVEGCSA-N	-1	3	231.295	2.597	40	0		BFABHM
CCOc1ccc2nc([N-]N=O)sc2c1	ZINC000006411344	346649354	/nfs/dbraw/zinc/64/93/54/346649354.db2.gz	YNJGUZRJUPXCGL-UHFFFAOYSA-N	-1	3	223.257	2.788	40	0		BFABHM
CCOc1cc([O-])c(C(C)=O)cc1Cl	ZINC000030769066	350375748	/nfs/dbraw/zinc/37/57/48/350375748.db2.gz	DVZQFPAGPRCXBP-UHFFFAOYSA-N	-1	3	214.648	2.647	40	0		BFABHM
CSc1ccccc1[N-]C(=O)c1coc(C)n1	ZINC000022538399	355943148	/nfs/dbraw/zinc/94/31/48/355943148.db2.gz	FFDVTCKQDXPSGL-UHFFFAOYSA-N	-1	3	248.307	2.957	40	0		BFABHM
COc1ccc2[nH]c([O-])c(CC(C)C)c(=O)c2c1	ZINC000685936958	538758678	/nfs/dbraw/zinc/75/86/78/538758678.db2.gz	DRFKPRUWMNVUSJ-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
COc1ccc2[nH]c(=O)c(CC(C)C)c([O-])c2c1	ZINC000685936958	538758684	/nfs/dbraw/zinc/75/86/84/538758684.db2.gz	DRFKPRUWMNVUSJ-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
CCCCc1nc2c(O)ccc([O-])c2nc1C	ZINC000104115707	169028266	/nfs/dbraw/zinc/02/82/66/169028266.db2.gz	UIVLZJJCTQVOJL-UHFFFAOYSA-N	-1	3	232.283	2.692	40	0		BFABHM
CCCCc1nc2c([O-])ccc(O)c2nc1C	ZINC000104115707	169028268	/nfs/dbraw/zinc/02/82/68/169028268.db2.gz	UIVLZJJCTQVOJL-UHFFFAOYSA-N	-1	3	232.283	2.692	40	0		BFABHM
c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000015043023	183379642	/nfs/dbraw/zinc/37/96/42/183379642.db2.gz	WWPSTJGPSOCQIH-UHFFFAOYSA-N	-1	3	222.251	2.534	40	0		BFABHM
c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000015043023	183379644	/nfs/dbraw/zinc/37/96/44/183379644.db2.gz	WWPSTJGPSOCQIH-UHFFFAOYSA-N	-1	3	222.251	2.534	40	0		BFABHM
c1ccc(-c2ccccc2[N-]c2nn[nH]n2)cc1	ZINC000033618610	183380753	/nfs/dbraw/zinc/38/07/53/183380753.db2.gz	PLVDIDMQNROEDF-UHFFFAOYSA-N	-1	3	237.266	2.610	40	0		BFABHM
CCCOc1c2ccccc2oc1C(=O)[O-]	ZINC000096510800	169313063	/nfs/dbraw/zinc/31/30/63/169313063.db2.gz	VCUHQTWSJZHXGV-UHFFFAOYSA-N	-1	3	220.224	2.920	40	0		BFABHM
Cc1nnc([N-]c2ccc(Cl)cc2)o1	ZINC000001637014	383916039	/nfs/dbraw/zinc/91/60/39/383916039.db2.gz	WWNCBEMNAZHKPR-UHFFFAOYSA-N	-1	3	209.636	2.775	40	0		BFABHM
CCOc1cc(Cl)c([O-])c(C(C)=O)c1	ZINC000096287941	384450827	/nfs/dbraw/zinc/45/08/27/384450827.db2.gz	UQVLBWAKZYHNCR-UHFFFAOYSA-N	-1	3	214.648	2.647	40	0		BFABHM
Cc1cnc(Nc2ccccc2Cl)[n-]c1=O	ZINC000408981314	385421569	/nfs/dbraw/zinc/42/15/69/385421569.db2.gz	VQMRKISMFVYDMK-UHFFFAOYSA-N	-1	3	235.674	2.888	40	0		BFABHM
O=Cc1cc(-c2ccsc2)ccc1[O-]	ZINC000016946468	388370879	/nfs/dbraw/zinc/37/08/79/388370879.db2.gz	RUICYUGGZYRQOG-UHFFFAOYSA-N	-1	3	204.250	2.933	40	0		BFABHM
CCOC(=O)c1cc([O-])c2cc(F)ccc2c1	ZINC000085223518	170293014	/nfs/dbraw/zinc/29/30/14/170293014.db2.gz	LVDKTCMSIQDCMA-UHFFFAOYSA-N	-1	3	234.226	2.861	40	0		BFABHM
Cc1cc([C@@H]2CCCN2CC(=O)[O-])sc1C	ZINC000012397329	178240855	/nfs/dbraw/zinc/24/08/55/178240855.db2.gz	GIRXFCBLYSHLDE-JTQLQIEISA-N	-1	3	239.340	2.586	40	0		BFABHM
CC1(C)COC(C=C([O-])c2ccc(F)cc2)=N1	ZINC000005044194	342756907	/nfs/dbraw/zinc/75/69/07/342756907.db2.gz	PRCHXMGRLCBTKB-UHFFFAOYSA-N	-1	3	235.258	2.606	40	0		BFABHM
CC(C)[C@H]1CNc2[n-]n(-c3ccccc3)c(=O)c21	ZINC000110757794	398300954	/nfs/dbraw/zinc/30/09/54/398300954.db2.gz	YWUUSIJUAXQIMP-LLVKDONJSA-N	-1	3	243.310	2.743	40	0		BFABHM
O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCCC1	ZINC000016764098	342915368	/nfs/dbraw/zinc/91/53/68/342915368.db2.gz	GSJYGYDFYYOTTD-LLVKDONJSA-N	-1	3	239.702	2.562	40	0		BFABHM
N[C@@](C(=O)[O-])(c1ccccc1)C1CCCCC1	ZINC000020230488	342978154	/nfs/dbraw/zinc/97/81/54/342978154.db2.gz	BRBQDZBKZKUUMW-AWEZNQCLSA-N	-1	3	233.311	2.506	40	0		BFABHM
CC(C)c1ncc(-c2ccccc2)c(=O)[n-]1	ZINC000096311364	343667219	/nfs/dbraw/zinc/66/72/19/343667219.db2.gz	XPVQUCOFIRLDRJ-UHFFFAOYSA-N	-1	3	214.268	2.560	40	0		BFABHM
O=Cc1cc(-c2ccc(F)c(C=O)c2)ccc1[O-]	ZINC000096312885	343670457	/nfs/dbraw/zinc/67/04/57/343670457.db2.gz	NODANMMZEWFGQC-UHFFFAOYSA-N	-1	3	244.221	2.823	40	0		BFABHM
CC(C)Cc1c([O-])[nH]c2c(F)cccc2c1=O	ZINC000685936863	538758532	/nfs/dbraw/zinc/75/85/32/538758532.db2.gz	BBORKUUORQZVPD-UHFFFAOYSA-N	-1	3	235.258	2.984	40	0		BFABHM
CC(C)Cc1c([O-])c2cccc(F)c2[nH]c1=O	ZINC000685936863	538758541	/nfs/dbraw/zinc/75/85/41/538758541.db2.gz	BBORKUUORQZVPD-UHFFFAOYSA-N	-1	3	235.258	2.984	40	0		BFABHM
CC(C)c1ccccc1-c1cnc[n-]c1=O	ZINC000096301434	371457487	/nfs/dbraw/zinc/45/74/87/371457487.db2.gz	CFIKKDXAFCIDQW-UHFFFAOYSA-N	-1	3	214.268	2.560	40	0		BFABHM
O=Cc1cc(-c2cc(F)ccc2O)ccc1[O-]	ZINC000065341835	385095561	/nfs/dbraw/zinc/09/55/61/385095561.db2.gz	MVERCEDGIDZZDY-UHFFFAOYSA-N	-1	3	232.210	2.716	40	0		BFABHM
O=C([O-])c1oc2ccccc2c1OC(F)F	ZINC000096510813	385246734	/nfs/dbraw/zinc/24/67/34/385246734.db2.gz	FFUCACPKPKGWDV-UHFFFAOYSA-N	-1	3	228.150	2.732	40	0		BFABHM
Cc1cnc(Nc2ccc(F)cc2C)[n-]c1=O	ZINC000408977678	385419655	/nfs/dbraw/zinc/41/96/55/385419655.db2.gz	FEOHOZNSUASGMQ-UHFFFAOYSA-N	-1	3	233.246	2.682	40	0		BFABHM
CCn1c(C)cs/c1=N/c1ccc([O-])cc1	ZINC000102937284	172137048	/nfs/dbraw/zinc/13/70/48/172137048.db2.gz	OBNDIZYXTVWEKW-OUKQBFOZSA-N	-1	3	234.324	2.816	40	0		BFABHM
C[C@H]1CCc2c([n-]n(C3CCCCC3)c2=O)N1	ZINC000110757661	177209532	/nfs/dbraw/zinc/20/95/32/177209532.db2.gz	ASNXPFHVNKFGLH-VIFPVBQESA-N	-1	3	235.331	2.841	40	0		BFABHM
O=Cc1ccc(F)c(-c2ccc([O-])c(C=O)c2)c1	ZINC000096312878	343670408	/nfs/dbraw/zinc/67/04/08/343670408.db2.gz	QYAFGJWSTFKFKE-UHFFFAOYSA-N	-1	3	244.221	2.823	40	0		BFABHM
[O-]c1csc(Nc2ccc(F)c(Cl)c2)n1	ZINC000005375584	346614865	/nfs/dbraw/zinc/61/48/65/346614865.db2.gz	SMXMGJDHQCLPRR-UHFFFAOYSA-N	-1	3	244.678	2.520	40	0		BFABHM
[S-]c1ccccc1CN1CCSCC1	ZINC000095738728	191912841	/nfs/dbraw/zinc/91/28/41/191912841.db2.gz	FGFNELVZYAHKDS-UHFFFAOYSA-N	-1	3	225.382	2.524	40	0		BFABHM
COc1cccc2[nH]c(=O)c(CC(C)C)c([O-])c21	ZINC000685937190	538759541	/nfs/dbraw/zinc/75/95/41/538759541.db2.gz	LYNHWGWNASCUTN-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
COc1cccc2[nH]c([O-])c(CC(C)C)c(=O)c21	ZINC000685937190	538759547	/nfs/dbraw/zinc/75/95/47/538759547.db2.gz	LYNHWGWNASCUTN-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
COc1cccc2c([O-])c(CC3CC3)c(=O)[nH]c12	ZINC000685936969	538758292	/nfs/dbraw/zinc/75/82/92/538758292.db2.gz	FWOSCJWHYCMHJV-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
COc1cccc2c(=O)c(CC3CC3)c([O-])[nH]c12	ZINC000685936969	538758294	/nfs/dbraw/zinc/75/82/94/538758294.db2.gz	FWOSCJWHYCMHJV-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
Cn1c(=O)c2c([O-])c(Cl)oc2c2ccccc21	ZINC000100643713	384649188	/nfs/dbraw/zinc/64/91/88/384649188.db2.gz	GDRYAFLKHNBVIF-UHFFFAOYSA-N	-1	3	249.653	2.644	40	0		BFABHM
Cc1nc(C(=O)[N-]c2cc(F)ccc2F)co1	ZINC000022538573	384766968	/nfs/dbraw/zinc/76/69/68/384766968.db2.gz	SKZPDJJYYHERTL-UHFFFAOYSA-N	-1	3	238.193	2.514	40	0		BFABHM
Cc1cc(C)cc(Nc2cc(=O)[n-]c(=S)[nH]2)c1	ZINC000072226410	385124978	/nfs/dbraw/zinc/12/49/78/385124978.db2.gz	JDJUZIRAFYCRAY-UHFFFAOYSA-N	-1	3	247.323	2.793	40	0		BFABHM
O=Cc1cccn1-c1cc(Cl)ccc1[O-]	ZINC000008701941	385253708	/nfs/dbraw/zinc/25/37/08/385253708.db2.gz	NWHBWMCOJDJSPX-UHFFFAOYSA-N	-1	3	221.643	2.649	40	0		BFABHM
O=C1Nc2c([O-])cccc2Oc2ccccc21	ZINC000077293649	386163072	/nfs/dbraw/zinc/16/30/72/386163072.db2.gz	BSJGQDLAWVOTOE-UHFFFAOYSA-N	-1	3	227.219	2.750	40	0	in-vitro	BFABHM
C[C@@H]1CCc2c([n-]n(C3CCCCC3)c2=O)N1	ZINC000110757657	176239722	/nfs/dbraw/zinc/23/97/22/176239722.db2.gz	ASNXPFHVNKFGLH-SECBINFHSA-N	-1	3	235.331	2.841	40	0		BFABHM
Cc1cc2cc3c(cc2[n-]c1=S)OCO3	ZINC000013534428	178296167	/nfs/dbraw/zinc/29/61/67/178296167.db2.gz	JDIFJOWIQJUQQN-UHFFFAOYSA-N	-1	3	219.265	2.935	40	0		BFABHM
CC(C)N(C(=O)c1ccccc1[O-])C(C)C	ZINC000001653130	187301426	/nfs/dbraw/zinc/30/14/26/187301426.db2.gz	YEOPIHMFSMEJPH-UHFFFAOYSA-N	-1	3	221.300	2.651	40	0		BFABHM
COc1cc(-c2ccccc2)cc(C=O)c1[O-]	ZINC000021950940	363184648	/nfs/dbraw/zinc/18/46/48/363184648.db2.gz	MXAKCKGHRBYIEE-UHFFFAOYSA-N	-1	3	228.247	2.880	40	0		BFABHM
CC(C)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000038435518	368987384	/nfs/dbraw/zinc/98/73/84/368987384.db2.gz	JHCJUTYVHNQHDK-UHFFFAOYSA-N	-1	3	214.268	2.560	40	0		BFABHM
CCCC(=O)C(CC)=C([O-])C(F)(F)F	ZINC000100280694	384630853	/nfs/dbraw/zinc/63/08/53/384630853.db2.gz	BHQIXRJKTWWITR-LURJTMIESA-N	-1	3	210.195	2.513	40	0		BFABHM
CCCC([O-])=C(CC)C(=O)C(F)(F)F	ZINC000100280694	384630857	/nfs/dbraw/zinc/63/08/57/384630857.db2.gz	BHQIXRJKTWWITR-LURJTMIESA-N	-1	3	210.195	2.513	40	0		BFABHM
O=Cc1cc(-c2ccc3c(c2)CCO3)ccc1[O-]	ZINC000096312854	384883654	/nfs/dbraw/zinc/88/36/54/384883654.db2.gz	CUMLZVSGYBCTCA-UHFFFAOYSA-N	-1	3	240.258	2.807	40	0		BFABHM
C[C@@H]1CNc2[n-]n(C3CCCCC3)c(=O)c2C1	ZINC000110751821	322913965	/nfs/dbraw/zinc/91/39/65/322913965.db2.gz	IVWDTENUYAQZOI-VIFPVBQESA-N	-1	3	235.331	2.698	40	0		BFABHM
CC(C)OCc1cc(Cl)ccc1[O-]	ZINC000001679608	167272584	/nfs/dbraw/zinc/27/25/84/167272584.db2.gz	AQMGUCIRAHYSBS-UHFFFAOYSA-N	-1	3	200.665	2.971	40	0		BFABHM
COc1ccc2c3c(c(C(=O)[O-])oc31)CCC2	ZINC000005813045	175223849	/nfs/dbraw/zinc/22/38/49/175223849.db2.gz	AZAWXPBQFQOALS-UHFFFAOYSA-N	-1	3	232.235	2.628	40	0		BFABHM
C[C@H]1CNc2[n-]n(C3CCCCC3)c(=O)c2C1	ZINC000110751824	177287541	/nfs/dbraw/zinc/28/75/41/177287541.db2.gz	IVWDTENUYAQZOI-SECBINFHSA-N	-1	3	235.331	2.698	40	0		BFABHM
Cc1cc([O-])cc(C)c1C(=O)OC(C)(C)C	ZINC000253496096	178199085	/nfs/dbraw/zinc/19/90/85/178199085.db2.gz	DEURLQHZYGMLBV-UHFFFAOYSA-N	-1	3	222.284	2.964	40	0		BFABHM
Cc1cccc(-c2ccc3c(c2)C(=O)C(=O)[N-]3)c1	ZINC000016946229	342917609	/nfs/dbraw/zinc/91/76/09/342917609.db2.gz	LMNQANNBPYMWDB-UHFFFAOYSA-N	-1	3	237.258	2.797	40	0		BFABHM
COC(=O)c1ccc(C(=O)C2CCCCC2)[n-]1	ZINC000139331042	343197559	/nfs/dbraw/zinc/19/75/59/343197559.db2.gz	UZBRJYGZTVSNJD-UHFFFAOYSA-N	-1	3	235.283	2.564	40	0		BFABHM
Cc1cnc(Nc2cccc(Cl)c2)[n-]c1=O	ZINC000408979561	346357169	/nfs/dbraw/zinc/35/71/69/346357169.db2.gz	MUVDLCVMAHHYLK-UHFFFAOYSA-N	-1	3	235.674	2.888	40	0		BFABHM
CC(C)(C)c1ncc(-c2ccccc2)c(=O)[n-]1	ZINC000096311268	371460677	/nfs/dbraw/zinc/46/06/77/371460677.db2.gz	UJRYIZVWTYXSOS-UHFFFAOYSA-N	-1	3	228.295	2.734	40	0		BFABHM
O=C(Nc1ncccc1[O-])c1ccc(Cl)cc1	ZINC000016386027	182399343	/nfs/dbraw/zinc/39/93/43/182399343.db2.gz	KVHRAEGZRLFRFM-UHFFFAOYSA-N	-1	3	248.669	2.693	40	0		BFABHM
S=C1Cc2cc(Br)ccc2[N-]1	ZINC000021990043	183312440	/nfs/dbraw/zinc/31/24/40/183312440.db2.gz	LYQRCKUBUCCOIE-UHFFFAOYSA-N	-1	3	228.114	2.745	40	0		BFABHM
CCCc1cc(C(F)(F)F)ncc1[O-]	ZINC000089229004	383951449	/nfs/dbraw/zinc/95/14/49/383951449.db2.gz	NMDIJVZYRRBWOG-UHFFFAOYSA-N	-1	3	205.179	2.759	40	0		BFABHM
CCc1cc(Br)cc(C=O)c1[O-]	ZINC000022053181	384727461	/nfs/dbraw/zinc/72/74/61/384727461.db2.gz	OUNXRNHPGAETOZ-UHFFFAOYSA-N	-1	3	229.073	2.530	40	0	in-vitro	BFABHM
O=c1cc(-c2cccc(Cl)c2)nc(C2CC2)[n-]1	ZINC000096530939	385313643	/nfs/dbraw/zinc/31/36/43/385313643.db2.gz	VLTQMLUFTGSPNL-UHFFFAOYSA-N	-1	3	246.697	2.968	40	0		BFABHM
O=c1[n-]c(Cl)nc2cc(Cl)ccc21	ZINC000026899501	385727340	/nfs/dbraw/zinc/72/73/40/385727340.db2.gz	WMEGBAASRUTYQN-UHFFFAOYSA-N	-1	3	215.039	2.642	40	0		BFABHM
S=c1[n-]c2ccccc2nc1N1CCCCC1	ZINC000070451483	132391241	/nfs/dbraw/zinc/39/12/41/132391241.db2.gz	LHEXXSMHLQNULY-UHFFFAOYSA-N	-1	3	245.351	2.909	40	0		BFABHM
CCOC(=O)c1cc2sc(C)cc2[n-]1	ZINC000001338167	170294724	/nfs/dbraw/zinc/29/47/24/170294724.db2.gz	OWWISVHKUJKEQH-UHFFFAOYSA-N	-1	3	209.270	2.715	40	0		BFABHM
COc1ccc(-c2ccc(C=O)c([O-])c2)cc1	ZINC000065341807	175032798	/nfs/dbraw/zinc/03/27/98/175032798.db2.gz	SGXOELUJXLGAAH-UHFFFAOYSA-N	-1	3	228.247	2.880	40	0		BFABHM
COc1ccc2c(c1)[nH]c1c2cc(C=O)cc1[O-]	ZINC000066113219	175218110	/nfs/dbraw/zinc/21/81/10/175218110.db2.gz	KVGOXKTZYBQADZ-UHFFFAOYSA-N	-1	3	241.246	2.848	40	0	biogenic,in-vitro	BFABHM
[O-]c1cc(O)cc2scc(Cl)c21	ZINC000228941203	526338743	/nfs/dbraw/zinc/33/87/43/526338743.db2.gz	IAJWNEALQFJTIQ-UHFFFAOYSA-N	-1	3	200.646	2.966	40	0		BFABHM
Cc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1C	ZINC000072226409	178778960	/nfs/dbraw/zinc/77/89/60/178778960.db2.gz	CAJOMNSDNHEHNK-UHFFFAOYSA-N	-1	3	247.323	2.793	40	0		BFABHM
O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCCC1	ZINC000016755266	362923827	/nfs/dbraw/zinc/92/38/27/362923827.db2.gz	DWMRMDBMHZTHLT-LLVKDONJSA-N	-1	3	239.702	2.562	40	0		BFABHM
O=C([O-])[C@H](c1ccccc1Cl)N1CCCC1	ZINC000016771213	362927307	/nfs/dbraw/zinc/92/73/07/362927307.db2.gz	ITXFRQRMGXQCHZ-NSHDSACASA-N	-1	3	239.702	2.562	40	0		BFABHM
CN(C)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000257238974	188020893	/nfs/dbraw/zinc/02/08/93/188020893.db2.gz	HNHXXISNZMQEQO-UHFFFAOYSA-N	-1	3	245.278	2.706	40	0		BFABHM
O=c1cc(-c2ccccn2)[n-]c2cc(F)ccc12	ZINC000005594568	356170074	/nfs/dbraw/zinc/17/00/74/356170074.db2.gz	RJACOAGSXQLRII-UHFFFAOYSA-N	-1	3	240.237	2.729	40	0		BFABHM
COc1ccc2c(c1)[nH]c([O-])c(CC(C)C)c2=O	ZINC000685937424	538760348	/nfs/dbraw/zinc/76/03/48/538760348.db2.gz	UBNNYMAIMYYNMN-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
COc1ccc2c(c1)[nH]c(=O)c(CC(C)C)c2[O-]	ZINC000685937424	538760355	/nfs/dbraw/zinc/76/03/55/538760355.db2.gz	UBNNYMAIMYYNMN-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
O=C([N-]c1c(F)cccc1F)c1ccco1	ZINC000004898437	182346877	/nfs/dbraw/zinc/34/68/77/182346877.db2.gz	QIQHADSTBAZZHO-UHFFFAOYSA-N	-1	3	223.178	2.810	40	0		BFABHM
[O-]c1ccc(C(=S)NCc2ccccc2)cc1	ZINC000015015039	183266950	/nfs/dbraw/zinc/26/69/50/183266950.db2.gz	ZCHKWWBVUFTOOS-UHFFFAOYSA-N	-1	3	243.331	2.858	40	0		BFABHM
[O-]c1ccc(-c2nc(-c3ccncc3)no2)cc1	ZINC000040542124	183264076	/nfs/dbraw/zinc/26/40/76/183264076.db2.gz	PAJAOZOOMHXENT-UHFFFAOYSA-N	-1	3	239.234	2.504	40	0		BFABHM
[O-]c1ccccc1-c1ccnc(Cl)n1	ZINC000033847034	183300507	/nfs/dbraw/zinc/30/05/07/183300507.db2.gz	SERWHLJYMARUJU-UHFFFAOYSA-N	-1	3	206.632	2.503	40	0		BFABHM
CC(C)(C)OC(=O)N1CCc2cccc([O-])c21	ZINC000071624919	384000726	/nfs/dbraw/zinc/00/07/26/384000726.db2.gz	AXPIBRZJKQQUHA-UHFFFAOYSA-N	-1	3	235.283	2.690	40	0		BFABHM
O=Cc1cc(-c2ccc(O)cc2)ccc1[O-]	ZINC000059085723	385974013	/nfs/dbraw/zinc/97/40/13/385974013.db2.gz	HDJZYKDWWVXSMF-UHFFFAOYSA-N	-1	3	214.220	2.577	40	0		BFABHM
O=Cc1cccc(Cc2ccccc2)c1[O-]	ZINC000030714760	386682455	/nfs/dbraw/zinc/68/24/55/386682455.db2.gz	KPRWCZKBOOSXCP-UHFFFAOYSA-N	-1	3	212.248	2.796	40	0		BFABHM
[O-]c1cc(Cl)c(N2CCOCC2)c(Cl)c1	ZINC000096511758	132432084	/nfs/dbraw/zinc/43/20/84/132432084.db2.gz	ROBZLMROLACZGY-UHFFFAOYSA-N	-1	3	248.109	2.536	40	0		BFABHM
COc1ccccc1-c1ccc([O-])c(C=O)c1	ZINC000016946437	175309687	/nfs/dbraw/zinc/30/96/87/175309687.db2.gz	VHRAILLXUOZKTO-UHFFFAOYSA-N	-1	3	228.247	2.880	40	0		BFABHM
Cc1cc([O-])c(I)cc1C	ZINC000034111576	178197251	/nfs/dbraw/zinc/19/72/51/178197251.db2.gz	QMBMPXRWVSHTCN-UHFFFAOYSA-N	-1	3	248.063	2.614	40	0		BFABHM
Cc1ccc(-c2ccc([O-])c(C=O)c2)nc1	ZINC000096312884	343670320	/nfs/dbraw/zinc/67/03/20/343670320.db2.gz	JQZORBPAVIQQJE-UHFFFAOYSA-N	-1	3	213.236	2.575	40	0		BFABHM
c1coc(-c2n[n-]c(-c3cccs3)n2)c1	ZINC000054700026	343697568	/nfs/dbraw/zinc/69/75/68/343697568.db2.gz	BLYKAOFPKOSVTA-UHFFFAOYSA-N	-1	3	217.253	2.793	40	0		BFABHM
CC(C)c1noc(-c2ccccc2[O-])n1	ZINC000022120029	363147017	/nfs/dbraw/zinc/14/70/17/363147017.db2.gz	OETPNMWGDJOKMW-UHFFFAOYSA-N	-1	3	204.229	2.566	40	0		BFABHM
CC(=O)Nc1ccc2c(c1[O-])Cc1ccccc1-2	ZINC000001672128	188274328	/nfs/dbraw/zinc/27/43/28/188274328.db2.gz	IQPIBKBOFOVHBP-UHFFFAOYSA-N	-1	3	239.274	2.922	40	0	in-vitro	BFABHM
CC(C)[C@@H]1CNc2[n-]n(-c3ccccc3)c(=O)c21	ZINC000110757789	188325946	/nfs/dbraw/zinc/32/59/46/188325946.db2.gz	YWUUSIJUAXQIMP-NSHDSACASA-N	-1	3	243.310	2.743	40	0		BFABHM
CCN(CC)[C@H](C(=O)[O-])c1ccccc1Cl	ZINC000016844141	353700126	/nfs/dbraw/zinc/70/01/26/353700126.db2.gz	JNWZCPLEUZUNFM-NSHDSACASA-N	-1	3	241.718	2.808	40	0		BFABHM
NC(=S)Nc1cc(-c2ccccc2)ccc1[O-]	ZINC000020154629	181319773	/nfs/dbraw/zinc/31/97/73/181319773.db2.gz	KAWQMKAYHIRNMO-UHFFFAOYSA-N	-1	3	244.319	2.715	40	0		BFABHM
CC(C)NC(=S)Nc1cc(Cl)ccc1[O-]	ZINC000140255423	368347341	/nfs/dbraw/zinc/34/73/41/368347341.db2.gz	GCVXXTYIGXTQNH-UHFFFAOYSA-N	-1	3	244.747	2.740	40	0		BFABHM
[O-]c1ccccc1C(=S)NC1CCCCC1	ZINC000015015046	183301475	/nfs/dbraw/zinc/30/14/75/183301475.db2.gz	YQGXFYRRFBPIGC-UHFFFAOYSA-N	-1	3	235.352	2.990	40	0		BFABHM
O=C([O-])CN1CCC[C@H]1c1ccc(Cl)cc1	ZINC000012397285	384317880	/nfs/dbraw/zinc/31/78/80/384317880.db2.gz	BHDWAQFNSFQHNI-NSHDSACASA-N	-1	3	239.702	2.562	40	0		BFABHM
O=C([O-])c1oc2ccccc2c1OCC1CC1	ZINC000096510802	385245449	/nfs/dbraw/zinc/24/54/49/385245449.db2.gz	LNFXANNCOUBSNC-UHFFFAOYSA-N	-1	3	232.235	2.920	40	0		BFABHM
CSc1ccc([O-])cc1Br	ZINC000095712411	385878209	/nfs/dbraw/zinc/87/82/09/385878209.db2.gz	ABSNKMSMFPCHCV-UHFFFAOYSA-N	-1	3	219.103	2.877	40	0		BFABHM
O=c1[n-]c(-c2ccco2)nc2ccc(Cl)cc12	ZINC000080128310	388707611	/nfs/dbraw/zinc/70/76/11/388707611.db2.gz	JQTPJNRWSKAJEL-UHFFFAOYSA-N	-1	3	246.653	2.837	40	0		BFABHM
CCN(CC)[C@@H](C(=O)[O-])c1ccccc1Cl	ZINC000016844138	169794594	/nfs/dbraw/zinc/79/45/94/169794594.db2.gz	JNWZCPLEUZUNFM-LLVKDONJSA-N	-1	3	241.718	2.808	40	0		BFABHM
CCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000020875507	170126567	/nfs/dbraw/zinc/12/65/67/170126567.db2.gz	VYAHSCPKXJAJNL-UHFFFAOYSA-N	-1	3	245.278	2.754	40	0		BFABHM
CN(C(=O)c1ccccc1)c1ccccc1[O-]	ZINC000001556652	172341773	/nfs/dbraw/zinc/34/17/73/172341773.db2.gz	CVZYKCBCFQURRE-UHFFFAOYSA-N	-1	3	227.263	2.669	40	0		BFABHM
COc1ccc2c(ccc([O-])c2C(C)=O)c1	ZINC000075626045	175204095	/nfs/dbraw/zinc/20/40/95/175204095.db2.gz	RZUQAJQUXBAWFL-UHFFFAOYSA-N	-1	3	216.236	2.757	40	0		BFABHM
COc1cccc(-c2ccc([O-])c(C=O)c2)c1	ZINC000016946434	175234665	/nfs/dbraw/zinc/23/46/65/175234665.db2.gz	VGABTIBNYPSCEI-UHFFFAOYSA-N	-1	3	228.247	2.880	40	0		BFABHM
C[C@@H]1CCCN(CCC(=O)c2ccc([O-])cc2)C1	ZINC000001598707	176097166	/nfs/dbraw/zinc/09/71/66/176097166.db2.gz	PMNQLQPUOSPHEN-GFCCVEGCSA-N	-1	3	247.338	2.697	40	0		BFABHM
C[C@H]1CCCN(CCC(=O)c2ccc([O-])cc2)C1	ZINC000005734631	177097977	/nfs/dbraw/zinc/09/79/77/177097977.db2.gz	PMNQLQPUOSPHEN-LBPRGKRZSA-N	-1	3	247.338	2.697	40	0		BFABHM
CCCC(=O)Nc1cc(Cl)ccc1[O-]	ZINC000000365170	342685175	/nfs/dbraw/zinc/68/51/75/342685175.db2.gz	UQWPGIRHURPOBO-UHFFFAOYSA-N	-1	3	213.664	2.784	40	0		BFABHM
Clc1cc2n[n-]nc2c(Cl)c1Cl	ZINC000005479648	342764454	/nfs/dbraw/zinc/76/44/54/342764454.db2.gz	UPOHHKQFJSIPBW-UHFFFAOYSA-N	-1	3	222.462	2.918	40	0		BFABHM
O=c1c(-c2ccc([O-])cc2)coc2ncccc12	ZINC000075629406	398343817	/nfs/dbraw/zinc/34/38/17/398343817.db2.gz	KDQMAQGCHQTPFR-UHFFFAOYSA-N	-1	3	239.230	2.561	40	0		BFABHM
CC(=O)c1c(C)cc2cccc(O)c2c1[O-]	ZINC000000899620	187244931	/nfs/dbraw/zinc/24/49/31/187244931.db2.gz	DMLHPCALHMPJHS-UHFFFAOYSA-N	-1	3	216.236	2.762	40	0	biogenic,in-vitro	BFABHM
O=c1cc(-c2ccc([O-])cn2)oc2ccccc12	ZINC000038218960	343373011	/nfs/dbraw/zinc/37/30/11/343373011.db2.gz	NCSGHKVBYGSOQC-UHFFFAOYSA-N	-1	3	239.230	2.561	40	0		BFABHM
Cc1c2c(nc3c([O-])ccc(Cl)c13)OCC2	ZINC000044790231	343514450	/nfs/dbraw/zinc/51/44/50/343514450.db2.gz	IQOBHHQNXXKSSJ-UHFFFAOYSA-N	-1	3	235.670	2.837	40	0		BFABHM
N#Cc1cc(-c2ccc([O-])c(C=O)c2)ccc1F	ZINC000096312848	343670024	/nfs/dbraw/zinc/67/00/24/343670024.db2.gz	LLLYYRPFHDEQQF-UHFFFAOYSA-N	-1	3	241.221	2.882	40	0		BFABHM
O=c1c(Cl)c[n-]c(Br)c1Cl	ZINC000079006620	187281849	/nfs/dbraw/zinc/28/18/49/187281849.db2.gz	IRBADEKWPZAVNW-UHFFFAOYSA-N	-1	3	242.887	2.857	40	0		BFABHM
Cc1cnc(Nc2cccc(F)c2C)[n-]c1=O	ZINC000408979979	346357665	/nfs/dbraw/zinc/35/76/65/346357665.db2.gz	PBUOLPXXUIDYJE-UHFFFAOYSA-N	-1	3	233.246	2.682	40	0		BFABHM
CC1=Cc2ccccc2[C@H]1NC(C)(C)C(=O)[O-]	ZINC000008730717	346563477	/nfs/dbraw/zinc/56/34/77/346563477.db2.gz	SVXJLZKBHFCAOT-LBPRGKRZSA-N	-1	3	231.295	2.597	40	0		BFABHM
CCC[C@H](N[C@H]1C=Cc2ccccc21)C(=O)[O-]	ZINC000008730650	346563619	/nfs/dbraw/zinc/56/36/19/346563619.db2.gz	KSKUMFZWVPHHSB-STQMWFEESA-N	-1	3	231.295	2.597	40	0		BFABHM
CCC[C@H](N[C@@H]1C=Cc2ccccc21)C(=O)[O-]	ZINC000008730648	346563693	/nfs/dbraw/zinc/56/36/93/346563693.db2.gz	KSKUMFZWVPHHSB-OLZOCXBDSA-N	-1	3	231.295	2.597	40	0		BFABHM
FC(F)(F)c1cc(C(F)(F)F)[n-]c(=S)n1	ZINC000071778918	180891455	/nfs/dbraw/zinc/89/14/55/180891455.db2.gz	PLBRVCYOZLTRFL-UHFFFAOYSA-N	-1	3	248.151	2.803	40	0		BFABHM
Cc1cc([O-])ccc1C(=O)OC(C)(C)C	ZINC000095935619	188320967	/nfs/dbraw/zinc/32/09/67/188320967.db2.gz	OXDRELHWFXGKNM-UHFFFAOYSA-N	-1	3	208.257	2.656	40	0		BFABHM
COc1cccc2c([O-])c(CC(C)C)c(=O)[nH]c12	ZINC000685937358	538761525	/nfs/dbraw/zinc/76/15/25/538761525.db2.gz	QHNWISKTXUZQQT-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
COc1cccc2c(=O)c(CC(C)C)c([O-])[nH]c12	ZINC000685937358	538761530	/nfs/dbraw/zinc/76/15/30/538761530.db2.gz	QHNWISKTXUZQQT-UHFFFAOYSA-N	-1	3	247.294	2.853	40	0		BFABHM
Cc1c([O-])[nH]c2cc(Cl)ccc2c1=O	ZINC000685937162	538758422	/nfs/dbraw/zinc/75/84/22/538758422.db2.gz	KFYTYVWARHRINH-UHFFFAOYSA-N	-1	3	209.632	2.608	40	0		BFABHM
Cc1c([O-])c2ccc(Cl)cc2[nH]c1=O	ZINC000685937162	538758426	/nfs/dbraw/zinc/75/84/26/538758426.db2.gz	KFYTYVWARHRINH-UHFFFAOYSA-N	-1	3	209.632	2.608	40	0		BFABHM
O=[N+](Nc1cccc([O-])c1)c1cccc([O-])c1	ZINC000368035973	384557317	/nfs/dbraw/zinc/55/73/17/384557317.db2.gz	LVVLYYDKJDBWRW-UHFFFAOYSA-O	-1	3	231.231	2.535	40	0		BFABHM
Cc1c([O-])[nH]c2c(Cl)cccc2c1=O	ZINC000142699144	384703900	/nfs/dbraw/zinc/70/39/00/384703900.db2.gz	PLYTZSYUDIKHQH-UHFFFAOYSA-N	-1	3	209.632	2.608	40	0		BFABHM
Cc1c([O-])c2cccc(Cl)c2[nH]c1=O	ZINC000142699144	384703905	/nfs/dbraw/zinc/70/39/05/384703905.db2.gz	PLYTZSYUDIKHQH-UHFFFAOYSA-N	-1	3	209.632	2.608	40	0		BFABHM
CC(=O)c1nc2c(cccc2Br)[n-]1	ZINC000085385822	385154826	/nfs/dbraw/zinc/15/48/26/385154826.db2.gz	JBLUOMZYOVGDIR-UHFFFAOYSA-N	-1	3	239.072	2.528	40	0		BFABHM
CC(=O)c1nc2cccc(Br)c2[n-]1	ZINC000085385822	385154836	/nfs/dbraw/zinc/15/48/36/385154836.db2.gz	JBLUOMZYOVGDIR-UHFFFAOYSA-N	-1	3	239.072	2.528	40	0		BFABHM
[S-]c1cccc(CN2CCSCC2)c1	ZINC000095738729	386543749	/nfs/dbraw/zinc/54/37/49/386543749.db2.gz	KTHORGDCTJQIJC-UHFFFAOYSA-N	-1	3	225.382	2.524	40	0		BFABHM
O=C1[N-]c2ccc(-c3ccccc3F)cc2C1=O	ZINC000016948184	388682984	/nfs/dbraw/zinc/68/29/84/388682984.db2.gz	UJBHIEDHHSRZMH-UHFFFAOYSA-N	-1	3	241.221	2.628	40	0		BFABHM
O=c1cc(-c2cc(F)cc(F)c2)nc(C2CC2)[n-]1	ZINC000096530954	398081590	/nfs/dbraw/zinc/08/15/90/398081590.db2.gz	WMHZQXCJBBVRMG-UHFFFAOYSA-N	-1	3	248.232	2.593	40	0		BFABHM
CC(=O)Nc1cc2c(cc1[O-])-c1ccccc1C2	ZINC000000398743	323391721	/nfs/dbraw/zinc/39/17/21/323391721.db2.gz	MNPABTKJCQDDNY-UHFFFAOYSA-N	-1	3	239.274	2.922	40	0	in-vitro	BFABHM
Cc1cc2cc3c(cc2[n-]c1=S)OCCO3	ZINC000013535549	178296442	/nfs/dbraw/zinc/29/64/42/178296442.db2.gz	QBTKSTAPCSOIMC-UHFFFAOYSA-N	-1	3	233.292	2.977	40	0		BFABHM
Cc1oc(C(=O)[O-])cc1CN1CCC(C)CC1	ZINC000011889555	342844158	/nfs/dbraw/zinc/84/41/58/342844158.db2.gz	QAJBVANBPWRPNK-UHFFFAOYSA-N	-1	3	237.299	2.518	40	0		BFABHM
O=c1c(Cl)c[n-]c2c(Cl)cccc12	ZINC000019721903	342954505	/nfs/dbraw/zinc/95/45/05/342954505.db2.gz	QXJZICVCCGLVGL-UHFFFAOYSA-N	-1	3	214.051	2.835	40	0		BFABHM
Fc1cccc(-c2nc3c([n-]2)ncnc3Cl)c1	ZINC000096311427	343667110	/nfs/dbraw/zinc/66/71/10/343667110.db2.gz	RDJUBWXLHWPDSX-UHFFFAOYSA-N	-1	3	248.648	2.812	40	0		BFABHM
CCCc1nn(-c2ccccc2)c(=S)[n-]1	ZINC000005408313	346211262	/nfs/dbraw/zinc/21/12/62/346211262.db2.gz	QVHICENAWUSQBT-UHFFFAOYSA-N	-1	3	219.313	2.882	40	0		BFABHM
CCC[C@@H](N[C@H]1C=Cc2ccccc21)C(=O)[O-]	ZINC000008730651	346563337	/nfs/dbraw/zinc/56/33/37/346563337.db2.gz	KSKUMFZWVPHHSB-QWHCGFSZSA-N	-1	3	231.295	2.597	40	0		BFABHM
O=C(C=C([O-])C(F)(F)F)Sc1ccccc1	ZINC000100645773	191063600	/nfs/dbraw/zinc/06/36/00/191063600.db2.gz	OWBJYCIPSQVOHQ-UHFFFAOYSA-N	-1	3	248.225	2.827	40	0		BFABHM
CC(C)Cc1c([O-])c2c(F)cccc2[nH]c1=O	ZINC000685936990	538758641	/nfs/dbraw/zinc/75/86/41/538758641.db2.gz	GYQJHOVZKXUDRX-UHFFFAOYSA-N	-1	3	235.258	2.984	40	0		BFABHM
CC(C)Cc1c([O-])[nH]c2cccc(F)c2c1=O	ZINC000685936990	538758644	/nfs/dbraw/zinc/75/86/44/538758644.db2.gz	GYQJHOVZKXUDRX-UHFFFAOYSA-N	-1	3	235.258	2.984	40	0		BFABHM
O=C(Nc1ccc(Cl)cn1)c1ccc([O-])cc1	ZINC000020304806	182353732	/nfs/dbraw/zinc/35/37/32/182353732.db2.gz	WJSMLJDJHWCVCV-UHFFFAOYSA-N	-1	3	248.669	2.693	40	0		BFABHM
[O-]c1ccc(CN2CCCC2)cc1Cl	ZINC000096543748	183268583	/nfs/dbraw/zinc/26/85/83/183268583.db2.gz	DIQSLLUSEPJWDA-UHFFFAOYSA-N	-1	3	211.692	2.641	40	0		BFABHM
[O-]c1ccccc1C(=S)NCc1ccccc1	ZINC000015015037	183302523	/nfs/dbraw/zinc/30/25/23/183302523.db2.gz	MHNQKMFMCMQVSD-UHFFFAOYSA-N	-1	3	243.331	2.858	40	0		BFABHM
CCCOc1cc([O-])c(C=O)c(OCCC)c1	ZINC000036377881	169315339	/nfs/dbraw/zinc/31/53/39/169315339.db2.gz	AGEJIFIPSQCTCL-UHFFFAOYSA-N	-1	3	238.283	2.782	40	0		BFABHM
O=c1[nH]c2ccccc2c([O-])c1-c1ccccc1	ZINC000100931180	384053649	/nfs/dbraw/zinc/05/36/49/384053649.db2.gz	IPYIJVQAAGLSKC-ZDUSSCGKSA-N	-1	3	237.258	2.605	40	0		BFABHM
O=C1[N-]c2ccc(-c3cccc(F)c3)cc2C1=O	ZINC000016946239	384472153	/nfs/dbraw/zinc/47/21/53/384472153.db2.gz	LFPRHWJNUNEDOP-UHFFFAOYSA-N	-1	3	241.221	2.628	40	0		BFABHM
O=c1cn[n-]c2ccc(Br)cc12	ZINC000100045580	384612214	/nfs/dbraw/zinc/61/22/14/384612214.db2.gz	DQPXKBQYQBCJBF-UHFFFAOYSA-N	-1	3	225.045	2.729	40	0		BFABHM
CC1=Nc2ccc(C(=O)[O-])cc2NC(C)=C1	ZINC000100954252	384658643	/nfs/dbraw/zinc/65/86/43/384658643.db2.gz	XGVVGMMLCZXEGV-UHFFFAOYSA-N	-1	3	216.240	2.807	40	0		BFABHM
CCn1c(C)csc1=Nc1ccc([O-])cc1	ZINC000026570186	384881684	/nfs/dbraw/zinc/88/16/84/384881684.db2.gz	OBNDIZYXTVWEKW-UHFFFAOYSA-O	-1	3	235.332	2.813	40	0		BFABHM
O=c1[n-]c(Cl)nc2c(Cl)cccc12	ZINC000026899492	384886795	/nfs/dbraw/zinc/88/67/95/384886795.db2.gz	KZOUNLZLYUDZPW-UHFFFAOYSA-N	-1	3	215.039	2.642	40	0		BFABHM
O=C(c1coc2ccc([O-])cc12)c1ccncc1	ZINC000095094134	384933037	/nfs/dbraw/zinc/93/30/37/384933037.db2.gz	ORGHYFLRKFPXBF-UHFFFAOYSA-N	-1	3	239.230	2.764	40	0		BFABHM
FC(F)c1cc(C(F)(F)F)[n-]c(=S)n1	ZINC000098210517	385215826	/nfs/dbraw/zinc/21/58/26/385215826.db2.gz	OEEPGUMJGMGYLL-UHFFFAOYSA-N	-1	3	230.161	2.722	40	0		BFABHM
CCOC(=O)c1nc(-c2ccccc2F)[n-]c1C	ZINC000035320716	388652066	/nfs/dbraw/zinc/65/20/66/388652066.db2.gz	NUOBPLSDQAHZOR-UHFFFAOYSA-N	-1	3	248.257	2.701	40	0		BFABHM
CCOC(=O)c1cc([O-])c2ccccc2c1	ZINC000039390776	170293413	/nfs/dbraw/zinc/29/34/13/170293413.db2.gz	QMCMRBCASLXWFT-UHFFFAOYSA-N	-1	3	216.236	2.722	40	0		BFABHM
COc1ccc(-c2cc[nH]c(=S)n2)c([O-])c1	ZINC000032501261	175032304	/nfs/dbraw/zinc/03/23/04/175032304.db2.gz	VVTCEXJPOYCQMW-UHFFFAOYSA-N	-1	3	234.280	2.520	40	0		BFABHM
[O-]c1ccc(Br)c2cnccc12	ZINC000146669111	487881250	/nfs/dbraw/zinc/88/12/50/487881250.db2.gz	RPFJJULAJVSICG-UHFFFAOYSA-N	-1	3	224.057	2.703	40	0		BFABHM
CSc1ccc(C2CC(=O)C=C([O-])C2)cc1	ZINC000100103717	490365319	/nfs/dbraw/zinc/36/53/19/490365319.db2.gz	QQKNFZFHZOFLHX-UHFFFAOYSA-N	-1	3	234.320	2.814	40	0		BFABHM
Cc1cc([C@H]2CCCN2CC(=O)[O-])sc1C	ZINC000012397331	178267173	/nfs/dbraw/zinc/26/71/73/178267173.db2.gz	GIRXFCBLYSHLDE-SNVBAGLBSA-N	-1	3	239.340	2.586	40	0		BFABHM
Cc1ccc(-c2cc(=O)[n-]c(C3CC3)n2)cc1	ZINC000096530950	178318129	/nfs/dbraw/zinc/31/81/29/178318129.db2.gz	NZNYTXAUTFHROB-UHFFFAOYSA-N	-1	3	226.279	2.623	40	0		BFABHM
Fc1ccccc1-c1nc2c([n-]1)ncnc2Cl	ZINC000096311641	343668183	/nfs/dbraw/zinc/66/81/83/343668183.db2.gz	VWKROUFLRZXOLM-UHFFFAOYSA-N	-1	3	248.648	2.812	40	0		BFABHM
CC(C)Cc1c([O-])[nH]c2cc(F)ccc2c1=O	ZINC000685936943	538759106	/nfs/dbraw/zinc/75/91/06/538759106.db2.gz	DCRUSOTVJXGBME-UHFFFAOYSA-N	-1	3	235.258	2.984	40	0		BFABHM
CC(C)Cc1c([O-])c2ccc(F)cc2[nH]c1=O	ZINC000685936943	538759113	/nfs/dbraw/zinc/75/91/13/538759113.db2.gz	DCRUSOTVJXGBME-UHFFFAOYSA-N	-1	3	235.258	2.984	40	0		BFABHM
CC(C)(C)[Si](C)(C)C[N-]C(=O)C(F)(F)F	ZINC000200486074	368353804	/nfs/dbraw/zinc/35/38/04/368353804.db2.gz	CRRWRJZSCVLZAG-UHFFFAOYSA-N	-1	3	241.329	2.713	40	0		BFABHM
[O-]c1cc(O)ccc1-c1nc2ccccc2[nH]1	ZINC000013234013	371025712	/nfs/dbraw/zinc/02/57/12/371025712.db2.gz	MTDSHRDWHUXPQH-UHFFFAOYSA-N	-1	3	226.235	2.641	40	0		BFABHM
CC(C)c1cccc(-c2cnc[n-]c2=O)c1	ZINC000096301379	371457347	/nfs/dbraw/zinc/45/73/47/371457347.db2.gz	SPTBDEXZOVYKAT-UHFFFAOYSA-N	-1	3	214.268	2.560	40	0		BFABHM
N[C@](C(=O)[O-])(c1ccccc1)C1CCCCC1	ZINC000002507851	371564539	/nfs/dbraw/zinc/56/45/39/371564539.db2.gz	BRBQDZBKZKUUMW-CQSZACIVSA-N	-1	3	233.311	2.506	40	0		BFABHM
O=C([O-])CN1CCC[C@@H]1c1ccc(Cl)cc1	ZINC000012397283	384315538	/nfs/dbraw/zinc/31/55/38/384315538.db2.gz	BHDWAQFNSFQHNI-LLVKDONJSA-N	-1	3	239.702	2.562	40	0		BFABHM
O=C1[N-]c2ccc(-c3cccs3)cc2C1=O	ZINC000016946274	384474141	/nfs/dbraw/zinc/47/41/41/384474141.db2.gz	YOFGZEWPLABWQJ-UHFFFAOYSA-N	-1	3	229.260	2.550	40	0		BFABHM
CCCC(=O)C(CC)=C([O-])C(F)(F)F	ZINC000100280691	384631203	/nfs/dbraw/zinc/63/12/03/384631203.db2.gz	BHQIXRJKTWWITR-ZCFIWIBFSA-N	-1	3	210.195	2.513	40	0		BFABHM
CCCC([O-])=C(CC)C(=O)C(F)(F)F	ZINC000100280691	384631210	/nfs/dbraw/zinc/63/12/10/384631210.db2.gz	BHQIXRJKTWWITR-ZCFIWIBFSA-N	-1	3	210.195	2.513	40	0		BFABHM
Cc1ccc([C@@H](C(=O)[O-])N2CCCCC2)s1	ZINC000041677070	386066569	/nfs/dbraw/zinc/06/65/69/386066569.db2.gz	GSAGEGUORBPLOE-NSHDSACASA-N	-1	3	239.340	2.668	40	0		BFABHM
CCn1c(C)cs/c1=N\c1ccc([O-])cc1	ZINC000008654166	172137287	/nfs/dbraw/zinc/13/72/87/172137287.db2.gz	OBNDIZYXTVWEKW-SEYXRHQNSA-N	-1	3	234.324	2.816	40	0		BFABHM
Cc1ccc(-c2ccc3c(c2)C(=O)C(=O)[N-]3)cc1	ZINC000016946225	178325117	/nfs/dbraw/zinc/32/51/17/178325117.db2.gz	DVVYNKPDVYRUCX-UHFFFAOYSA-N	-1	3	237.258	2.797	40	0		BFABHM
CN(CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1	ZINC000035084286	343301903	/nfs/dbraw/zinc/30/19/03/343301903.db2.gz	WYUQIYLUINSBAD-UHFFFAOYSA-N	-1	3	248.109	2.510	40	0		BFABHM
Cc1cc([O-])c(Br)cc1F	ZINC000146568876	345977537	/nfs/dbraw/zinc/97/75/37/345977537.db2.gz	OQDPFYLNWVPEDE-UHFFFAOYSA-N	-1	3	205.026	2.602	40	0		BFABHM
Cc1ccccc1-c1ccc2c(c1)C(=O)C(=O)[N-]2	ZINC000016946233	179236469	/nfs/dbraw/zinc/23/64/69/179236469.db2.gz	CCOSBLWNINPKQQ-UHFFFAOYSA-N	-1	3	237.258	2.797	40	0		BFABHM
COc1cccc2[nH]c(=O)c(CC3CC3)c([O-])c21	ZINC000685937466	538758715	/nfs/dbraw/zinc/75/87/15/538758715.db2.gz	WBOMLILPJIIBCA-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
COc1cccc2[nH]c([O-])c(CC3CC3)c(=O)c21	ZINC000685937466	538758723	/nfs/dbraw/zinc/75/87/23/538758723.db2.gz	WBOMLILPJIIBCA-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
COc1ccc2c(c1)[nH]c([O-])c(CC1CC1)c2=O	ZINC000685937490	538758833	/nfs/dbraw/zinc/75/88/33/538758833.db2.gz	YKQFEUAIIAPGNF-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
COc1ccc2c([O-])c(CC3CC3)c(=O)[nH]c2c1	ZINC000685937490	538758839	/nfs/dbraw/zinc/75/88/39/538758839.db2.gz	YKQFEUAIIAPGNF-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
O=c1[n-]cncc1-c1cc2ccccc2s1	ZINC000096301440	371457645	/nfs/dbraw/zinc/45/76/45/371457645.db2.gz	NPOYWGZEZDUJKC-UHFFFAOYSA-N	-1	3	228.276	2.652	40	0		BFABHM
c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000006116746	183379689	/nfs/dbraw/zinc/37/96/89/183379689.db2.gz	CMPDXBXNGAEVNY-UHFFFAOYSA-N	-1	3	222.251	2.534	40	0		BFABHM
c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000006116746	183379690	/nfs/dbraw/zinc/37/96/90/183379690.db2.gz	CMPDXBXNGAEVNY-UHFFFAOYSA-N	-1	3	222.251	2.534	40	0		BFABHM
CSc1cc([O-])cc(Br)c1	ZINC000095724345	384391229	/nfs/dbraw/zinc/39/12/29/384391229.db2.gz	GGJGTZACRBPWLB-UHFFFAOYSA-N	-1	3	219.103	2.877	40	0		BFABHM
O=c1[n-]cncc1-c1ccc(Cl)cc1Cl	ZINC000096312715	384882871	/nfs/dbraw/zinc/88/28/71/384882871.db2.gz	SGLVPDABDXMTNI-UHFFFAOYSA-N	-1	3	241.077	2.744	40	0		BFABHM
Cc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)c(C)c1	ZINC000072226408	385126499	/nfs/dbraw/zinc/12/64/99/385126499.db2.gz	GGPAAAONSOCXIB-UHFFFAOYSA-N	-1	3	247.323	2.793	40	0		BFABHM
O=c1cc(-c2ccc(Cl)cc2)nc(C2CC2)[n-]1	ZINC000096530946	385313824	/nfs/dbraw/zinc/31/38/24/385313824.db2.gz	PDSQQIHASLPDLF-UHFFFAOYSA-N	-1	3	246.697	2.968	40	0		BFABHM
CN[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000037180409	397971805	/nfs/dbraw/zinc/97/18/05/397971805.db2.gz	UHLLYKHRNOCFFG-SNVBAGLBSA-N	-1	3	248.109	2.513	40	0		BFABHM
COc1cc2cc(C)c(=S)[n-]c2cc1OC	ZINC000019200474	175026309	/nfs/dbraw/zinc/02/63/09/175026309.db2.gz	DPXDPMFTBVYWEH-UHFFFAOYSA-N	-1	3	235.308	2.849	40	0		BFABHM
O=c1cc(-c2csc(C(F)F)c2)[nH]c(=O)[n-]1	ZINC000575629503	491066442	/nfs/dbraw/zinc/06/64/42/491066442.db2.gz	ZBFNOCCGHYXBEO-UHFFFAOYSA-N	-1	3	244.222	2.554	40	0		BFABHM
Cc1cc(C(=O)Nc2ccccc2[O-])c(C)n1C	ZINC000008051703	345094623	/nfs/dbraw/zinc/09/46/23/345094623.db2.gz	CBXNPXXPOQJMQM-UHFFFAOYSA-N	-1	3	244.294	2.600	40	0		BFABHM
CCC[C@@H](N[C@@H]1C=Cc2ccccc21)C(=O)[O-]	ZINC000008730649	346563602	/nfs/dbraw/zinc/56/36/02/346563602.db2.gz	KSKUMFZWVPHHSB-CHWSQXEVSA-N	-1	3	231.295	2.597	40	0		BFABHM
O=C(c1ccccc1)c1cnc2ccccc2c1[O-]	ZINC000038878872	349261042	/nfs/dbraw/zinc/26/10/42/349261042.db2.gz	WNJRGBVVERKHJH-UHFFFAOYSA-N	-1	3	249.269	2.759	40	0		BFABHM
S=c1ncn(C2CCCC2)c(=S)[n-]1	ZINC000001707931	183314967	/nfs/dbraw/zinc/31/49/67/183314967.db2.gz	ATPROIVQRMVAEM-UHFFFAOYSA-N	-1	3	213.331	2.785	40	0		BFABHM
Cc1cccc(-c2cc(=O)[n-]c(C3CC3)n2)c1	ZINC000096530953	385314623	/nfs/dbraw/zinc/31/46/23/385314623.db2.gz	MBSVCBUXMHGXPH-UHFFFAOYSA-N	-1	3	226.279	2.623	40	0		BFABHM
Cc1cnc(Cl)nc1[N-]c1nccs1	ZINC000098181673	386228166	/nfs/dbraw/zinc/22/81/66/386228166.db2.gz	KSRQBZFEBQQSCH-UHFFFAOYSA-N	-1	3	226.692	2.639	40	0		BFABHM
Fc1cc([S-])ccc1CN1CCCC1	ZINC000095738961	386543682	/nfs/dbraw/zinc/54/36/82/386543682.db2.gz	CZRMNANRNFELNP-UHFFFAOYSA-N	-1	3	211.305	2.710	40	0		BFABHM
CC(C)Oc1cccc(Br)c1[O-]	ZINC000090372281	167304660	/nfs/dbraw/zinc/30/46/60/167304660.db2.gz	CFQDIVDHBJMOCF-UHFFFAOYSA-N	-1	3	231.089	2.942	40	0		BFABHM
CCOc1c2ccccc2oc1C(=O)[O-]	ZINC000075607060	170513905	/nfs/dbraw/zinc/51/39/05/170513905.db2.gz	BGFWRWXGYYRTBH-UHFFFAOYSA-N	-1	3	206.197	2.530	40	0		BFABHM
CC(=O)C(=S)[N-]c1ccc(Cl)cc1	ZINC000034496520	343273466	/nfs/dbraw/zinc/27/34/66/343273466.db2.gz	FXWPRTRMBPVIPH-UHFFFAOYSA-N	-1	3	213.689	2.668	40	0		BFABHM
CCOc1ccc(-c2ccc([O-])c(C=O)c2)cn1	ZINC000096312910	343669346	/nfs/dbraw/zinc/66/93/46/343669346.db2.gz	YTVUKEIBDWJXGY-UHFFFAOYSA-N	-1	3	243.262	2.665	40	0		BFABHM
CCOC(=O)c1c(C)[n-]nc1C1CCCC1	ZINC000072220729	344514104	/nfs/dbraw/zinc/51/41/04/344514104.db2.gz	QCMMZFOBWFYUTK-UHFFFAOYSA-N	-1	3	222.288	2.552	40	0		BFABHM
CCOC(=O)c1c(C)n[n-]c1C1CCCC1	ZINC000072220729	344514106	/nfs/dbraw/zinc/51/41/06/344514106.db2.gz	QCMMZFOBWFYUTK-UHFFFAOYSA-N	-1	3	222.288	2.552	40	0		BFABHM
O=C([O-])[C@@H](c1ccccc1Cl)N1CCCC1	ZINC000016771215	362926995	/nfs/dbraw/zinc/92/69/95/362926995.db2.gz	ITXFRQRMGXQCHZ-LLVKDONJSA-N	-1	3	239.702	2.562	40	0		BFABHM
COc1ccc2[nH]c([O-])c(CC3CC3)c(=O)c2c1	ZINC000685937195	538758593	/nfs/dbraw/zinc/75/85/93/538758593.db2.gz	MLXKIMRJGOLQGW-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
COc1ccc2[nH]c(=O)c(CC3CC3)c([O-])c2c1	ZINC000685937195	538758600	/nfs/dbraw/zinc/75/86/00/538758600.db2.gz	MLXKIMRJGOLQGW-UHFFFAOYSA-N	-1	3	245.278	2.607	40	0		BFABHM
CCOc1cc([O-])cc(Br)c1	ZINC000042750096	374283425	/nfs/dbraw/zinc/28/34/25/374283425.db2.gz	YUZHOUVYLSTTRB-UHFFFAOYSA-N	-1	3	217.062	2.553	40	0		BFABHM
O=C(Nc1ccccc1[O-])/C(Cl)=C\Cl	ZINC000016979936	182381010	/nfs/dbraw/zinc/38/10/10/182381010.db2.gz	XNCHLRKAWOAMGL-AATRIKPKSA-N	-1	3	232.066	2.650	40	0		BFABHM
[O-]c1ccccc1-c1cc(Cl)ncn1	ZINC000000191839	183299045	/nfs/dbraw/zinc/29/90/45/183299045.db2.gz	QLMCEOMRQKIMOI-UHFFFAOYSA-N	-1	3	206.632	2.503	40	0		BFABHM
O=C1[N-]c2ccc(-c3ccc(F)cc3)cc2C1=O	ZINC000016946235	384473702	/nfs/dbraw/zinc/47/37/02/384473702.db2.gz	XUAOZHWNIXCDHJ-UHFFFAOYSA-N	-1	3	241.221	2.628	40	0		BFABHM
Cc1ccc([C@H](C(=O)[O-])N2CCCCC2)s1	ZINC000041677074	387290742	/nfs/dbraw/zinc/29/07/42/387290742.db2.gz	GSAGEGUORBPLOE-LLVKDONJSA-N	-1	3	239.340	2.668	40	0		BFABHM
CN[C@](C)(C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000037180411	397971589	/nfs/dbraw/zinc/97/15/89/397971589.db2.gz	UHLLYKHRNOCFFG-JTQLQIEISA-N	-1	3	248.109	2.513	40	0		BFABHM
Cc1nc(C2CC2)[n-]c(=O)c1Cc1ccccc1	ZINC000096530934	398081685	/nfs/dbraw/zinc/08/16/85/398081685.db2.gz	CVPJIMHPPJHLRR-UHFFFAOYSA-N	-1	3	240.306	2.547	40	0		BFABHM
O=c1cc(-c2ccc([O-])cc2)oc2ncccc12	ZINC000035962971	343305949	/nfs/dbraw/zinc/30/59/49/343305949.db2.gz	PFUPOMZTYDYNTE-UHFFFAOYSA-N	-1	3	239.230	2.561	40	0		BFABHM
O=Cc1cc(CCc2ccccc2)ccc1[O-]	ZINC000096312872	343670094	/nfs/dbraw/zinc/67/00/94/343670094.db2.gz	KTISIRICAVFTKP-UHFFFAOYSA-N	-1	3	226.275	2.990	40	0		BFABHM
O=C([O-])[C@H](c1cccc(Cl)c1)N1CCCC1	ZINC000016755262	362923927	/nfs/dbraw/zinc/92/39/27/362923927.db2.gz	DWMRMDBMHZTHLT-NSHDSACASA-N	-1	3	239.702	2.562	40	0		BFABHM
CC1=Nc2ccc(C(=O)[O-])cc2NC(C)=C1	ZINC000016607145	188170070	/nfs/dbraw/zinc/17/00/70/188170070.db2.gz	BYDGFUZTMYGWMR-UHFFFAOYSA-N	-1	3	216.240	2.807	40	0		BFABHM
O=C(Cc1ccccc1)c1cc(F)ccc1[O-]	ZINC000002243273	182044323	/nfs/dbraw/zinc/04/43/23/182044323.db2.gz	UJPHDMQSTCOYTM-UHFFFAOYSA-N	-1	3	230.238	2.957	40	0		BFABHM
[O-]c1ccc(OCC(F)(F)F)cc1Cl	ZINC000002540205	183277299	/nfs/dbraw/zinc/27/72/99/183277299.db2.gz	OFBKLMDDKYZENG-UHFFFAOYSA-N	-1	3	226.581	2.987	40	0		BFABHM
CSc1c([O-])cccc1Br	ZINC000095722352	384391392	/nfs/dbraw/zinc/39/13/92/384391392.db2.gz	QKYLLSYAYMERCZ-UHFFFAOYSA-N	-1	3	219.103	2.877	40	0		BFABHM
CC(=O)C(=C(C)[O-])c1ccccc1Cl	ZINC000104049893	384794857	/nfs/dbraw/zinc/79/48/57/384794857.db2.gz	VBRPXRDIUQSPJS-UHFFFAOYSA-N	-1	3	210.660	2.602	40	0		BFABHM
O=c1[n-]cncc1-c1cc(Cl)cc(Cl)c1	ZINC000096312714	384883220	/nfs/dbraw/zinc/88/32/20/384883220.db2.gz	WCFUMKIDSTTXGZ-UHFFFAOYSA-N	-1	3	241.077	2.744	40	0		BFABHM
O=c1[n-]cncc1-c1ccc2ccccc2c1	ZINC000096301406	386597129	/nfs/dbraw/zinc/59/71/29/386597129.db2.gz	IMUXQQUYGFRLLM-UHFFFAOYSA-N	-1	3	222.247	2.590	40	0		BFABHM
N[C@@H](C(=O)[O-])c1ccc(Oc2ccccc2)cc1	ZINC000004204134	387427132	/nfs/dbraw/zinc/42/71/32/387427132.db2.gz	MOHPYKSOEQKFBU-CYBMUJFWSA-N	-1	3	243.262	2.563	40	0		BFABHM
Cc1cc(Br)c(C)c(C=O)c1[O-]	ZINC000004299095	387849360	/nfs/dbraw/zinc/84/93/60/387849360.db2.gz	YZLWQJGFSUADDC-UHFFFAOYSA-N	-1	3	229.073	2.584	40	0		BFABHM
CCc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1	ZINC000029410209	398012444	/nfs/dbraw/zinc/01/24/44/398012444.db2.gz	FLNBIGDLQUHBKR-UHFFFAOYSA-N	-1	3	247.323	2.738	40	0		BFABHM
CC1(C)[C@@H]2CC[C@@]1(C)c1[n-]c(=S)nnc12	ZINC000005686107	168003619	/nfs/dbraw/zinc/00/36/19/168003619.db2.gz	FYDIWFZMQQDSND-KBUNVGBDSA-N	-1	3	221.329	2.709	40	0		BFABHM
CCOC(=O)Nc1cc(Cl)ccc1[O-]	ZINC000001655941	170243765	/nfs/dbraw/zinc/24/37/65/170243765.db2.gz	KOYKJLUPGYMUHO-UHFFFAOYSA-N	-1	3	215.636	2.614	40	0		BFABHM
CSc1ncc(Br)c(=S)[n-]1	ZINC000001678980	342708587	/nfs/dbraw/zinc/70/85/87/342708587.db2.gz	ZLJGWRQGNGPMBV-UHFFFAOYSA-N	-1	3	237.147	2.624	40	0		BFABHM
O=c1c(Cl)c[n-]c2cccc(Cl)c21	ZINC000019721905	342954313	/nfs/dbraw/zinc/95/43/13/342954313.db2.gz	XOJXGDQMNWRRTP-UHFFFAOYSA-N	-1	3	214.051	2.835	40	0		BFABHM
S=c1[n-]nc(OCc2ccc(Cl)cc2)o1	ZINC000008731375	346579966	/nfs/dbraw/zinc/57/99/66/346579966.db2.gz	NXTIOQXTGQPPJL-UHFFFAOYSA-N	-1	3	242.687	2.591	40	0		BFABHM
O=c1c2ccc(F)cc2[nH]c([O-])c1CC1CC1	ZINC000685937377	538760201	/nfs/dbraw/zinc/76/02/01/538760201.db2.gz	RJUPJAANBUUGHC-UHFFFAOYSA-N	-1	3	233.242	2.738	40	0		BFABHM
O=c1[nH]c2cc(F)ccc2c([O-])c1CC1CC1	ZINC000685937377	538760206	/nfs/dbraw/zinc/76/02/06/538760206.db2.gz	RJUPJAANBUUGHC-UHFFFAOYSA-N	-1	3	233.242	2.738	40	0		BFABHM
O=C([N-]c1cnoc1)c1ccc(Cl)s1	ZINC000075170824	182397212	/nfs/dbraw/zinc/39/72/12/182397212.db2.gz	NTLZUFLGXHRCPX-UHFFFAOYSA-N	-1	3	228.660	2.642	40	0		BFABHM
CC(C)(C)OC(=O)N1CCc2c1cccc2[O-]	ZINC000071614706	384000528	/nfs/dbraw/zinc/00/05/28/384000528.db2.gz	RGJNBULAOCYWSF-UHFFFAOYSA-N	-1	3	235.283	2.690	40	0		BFABHM
O=C([N-]c1noc2ccccc21)c1ccco1	ZINC000006810184	384167232	/nfs/dbraw/zinc/16/72/32/384167232.db2.gz	DZOWQBCQBLGNNM-UHFFFAOYSA-N	-1	3	228.207	2.673	40	0		BFABHM
Clc1nc[n-]c2nc(-c3cccs3)nc1-2	ZINC000096311637	384879833	/nfs/dbraw/zinc/87/98/33/384879833.db2.gz	TZEDVXTYZOXANA-UHFFFAOYSA-N	-1	3	236.687	2.735	40	0		BFABHM
Clc1ncnc2nc(-c3cccs3)[n-]c21	ZINC000096311637	384879845	/nfs/dbraw/zinc/87/98/45/384879845.db2.gz	TZEDVXTYZOXANA-UHFFFAOYSA-N	-1	3	236.687	2.735	40	0		BFABHM
Clc1ncnc2[n-]c(-c3cccs3)nc21	ZINC000096311637	384879853	/nfs/dbraw/zinc/87/98/53/384879853.db2.gz	TZEDVXTYZOXANA-UHFFFAOYSA-N	-1	3	236.687	2.735	40	0		BFABHM
O=Cc1ccc(OC2CCCC2)cc1[O-]	ZINC000072219714	385107288	/nfs/dbraw/zinc/10/72/88/385107288.db2.gz	UNWQMRWENJNMFM-UHFFFAOYSA-N	-1	3	206.241	2.526	40	0		BFABHM
CCOc1c2cc(C)ccc2oc1C(=O)[O-]	ZINC000096510826	385247223	/nfs/dbraw/zinc/24/72/23/385247223.db2.gz	XDMGVDJYVOPASA-UHFFFAOYSA-N	-1	3	220.224	2.838	40	0		BFABHM
Cc1cnc(Nc2ccc(Cl)cc2)[n-]c1=O	ZINC000408978741	385423105	/nfs/dbraw/zinc/42/31/05/385423105.db2.gz	JQQVJICNDJLEMQ-UHFFFAOYSA-N	-1	3	235.674	2.888	40	0		BFABHM
COc1c2cc(Cl)ccc2oc1C(=O)[O-]	ZINC000096379154	388817127	/nfs/dbraw/zinc/81/71/27/388817127.db2.gz	IVGCNVQIQYQYKK-UHFFFAOYSA-N	-1	3	226.615	2.793	40	0		BFABHM
CC1(C)[C@H]2CC[C@]1(C)c1nnc(=S)[n-]c12	ZINC000001668798	168010899	/nfs/dbraw/zinc/01/08/99/168010899.db2.gz	UJACBIJGKMHVFB-UPONEAKYSA-N	-1	3	221.329	2.709	40	0		BFABHM
CCC(=O)c1cc(Cl)c(OC)cc1[O-]	ZINC000096295212	168254731	/nfs/dbraw/zinc/25/47/31/168254731.db2.gz	XOXPVMZTVBSASO-UHFFFAOYSA-N	-1	3	214.648	2.647	40	0		BFABHM
CCNCc1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000013730338	170126429	/nfs/dbraw/zinc/12/64/29/170126429.db2.gz	ZVDZFBRGJGHMBS-UHFFFAOYSA-N	-1	3	245.278	2.754	40	0		BFABHM
COc1cc2ccc(C(C)=O)c([O-])c2cc1OC	ZINC000001563274	175027463	/nfs/dbraw/zinc/02/74/63/175027463.db2.gz	BFSKETWNUKZDFL-UHFFFAOYSA-N	-1	3	246.262	2.765	40	0		BFABHM
CC(C)CCCCC(C)(C)OC([O-])=NC(N)=O	ZINC000001716753	342711004	/nfs/dbraw/zinc/71/10/04/342711004.db2.gz	ABJPIKDVIJLZLV-UHFFFAOYSA-N	-1	3	244.335	2.786	40	0		BFABHM
CC(C)CCCCC(C)(C)OC(=O)N=C(N)[O-]	ZINC000001716753	342711006	/nfs/dbraw/zinc/71/10/06/342711006.db2.gz	ABJPIKDVIJLZLV-UHFFFAOYSA-N	-1	3	244.335	2.786	40	0		BFABHM
CC(C)CCCCC(C)(C)OC(=O)[N-]C(N)=O	ZINC000001716753	342711007	/nfs/dbraw/zinc/71/10/07/342711007.db2.gz	ABJPIKDVIJLZLV-UHFFFAOYSA-N	-1	3	244.335	2.786	40	0		BFABHM
O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCCC1	ZINC000016764096	342915403	/nfs/dbraw/zinc/91/54/03/342915403.db2.gz	GSJYGYDFYYOTTD-NSHDSACASA-N	-1	3	239.702	2.562	40	0		BFABHM
O=c1cc(-c2ccc([O-])cc2)oc2cccnc12	ZINC000035976367	343306148	/nfs/dbraw/zinc/30/61/48/343306148.db2.gz	NHPGMWSXLJULOQ-UHFFFAOYSA-N	-1	3	239.230	2.561	40	0		BFABHM
COC(=O)c1ncc(-c2ccccc2Cl)[n-]1	ZINC000256050866	370635111	/nfs/dbraw/zinc/63/51/11/370635111.db2.gz	GUPOFOQABOOOFB-UHFFFAOYSA-N	-1	3	236.658	2.517	40	0		BFABHM
COC(=O)c1nc(-c2ccccc2Cl)c[n-]1	ZINC000256050866	370635114	/nfs/dbraw/zinc/63/51/14/370635114.db2.gz	GUPOFOQABOOOFB-UHFFFAOYSA-N	-1	3	236.658	2.517	40	0		BFABHM
O=C(N[O-])Nc1cc(Cl)cc(Cl)c1	ZINC000005485959	182279824	/nfs/dbraw/zinc/27/98/24/182279824.db2.gz	JUKKJLQDPDFSDK-UHFFFAOYSA-N	-1	3	221.043	2.504	40	0		BFABHM
O=C(N[O-])Nc1ccc(Cl)c(Cl)c1	ZINC000004809416	182279890	/nfs/dbraw/zinc/27/98/90/182279890.db2.gz	VKYZMAVGJARVPE-UHFFFAOYSA-N	-1	3	221.043	2.504	40	0	in-vivo	BFABHM
O=C(Nc1ccccc1[O-])/C(Cl)=C/Cl	ZINC000001587495	182380246	/nfs/dbraw/zinc/38/02/46/182380246.db2.gz	XNCHLRKAWOAMGL-WAYWQWQTSA-N	-1	3	232.066	2.650	40	0		BFABHM
COc1cc([O-])c2c(cc(C)c(C(C)=O)c2O)c1	ZINC000013307187	384353921	/nfs/dbraw/zinc/35/39/21/384353921.db2.gz	BIJOPUWEMBBDEG-UHFFFAOYSA-N	-1	3	246.262	2.771	40	0	endogenous,in-man	BFABHM
O=C1C=C([O-])CC(c2c(F)cccc2Cl)C1	ZINC000100024843	384611027	/nfs/dbraw/zinc/61/10/27/384611027.db2.gz	RDLKECGYLPSQFO-UHFFFAOYSA-N	-1	3	240.661	2.885	40	0		BFABHM
Clc1nccc2[n-]c(-c3ccco3)nc21	ZINC000096311634	384880302	/nfs/dbraw/zinc/88/03/02/384880302.db2.gz	AYFQWQFVNWHFJV-UHFFFAOYSA-N	-1	3	219.631	2.871	40	0		BFABHM
Clc1nccc2nc(-c3ccco3)[n-]c21	ZINC000096311634	384880310	/nfs/dbraw/zinc/88/03/10/384880310.db2.gz	AYFQWQFVNWHFJV-UHFFFAOYSA-N	-1	3	219.631	2.871	40	0		BFABHM
O=c1[n-]cncc1-c1c(Cl)cccc1Cl	ZINC000096312718	384883010	/nfs/dbraw/zinc/88/30/10/384883010.db2.gz	XBEBJIORUMLJML-UHFFFAOYSA-N	-1	3	241.077	2.744	40	0		BFABHM
Cc1c(Cl)c(C)c(CO)c([O-])c1Cl	ZINC000145734447	384928399	/nfs/dbraw/zinc/92/83/99/384928399.db2.gz	JMCPKPHETMKJDQ-UHFFFAOYSA-N	-1	3	221.083	2.808	40	0		BFABHM
CCOc1cccc2oc(C(=O)[O-])c(C)c21	ZINC000085395639	385159310	/nfs/dbraw/zinc/15/93/10/385159310.db2.gz	XKFZFLXQZKBAQD-UHFFFAOYSA-N	-1	3	220.224	2.838	40	0		BFABHM
CCOc1c2cccc(C)c2oc1C(=O)[O-]	ZINC000096510816	385247251	/nfs/dbraw/zinc/24/72/51/385247251.db2.gz	KPTATNIXDYOMJT-UHFFFAOYSA-N	-1	3	220.224	2.838	40	0		BFABHM
Cc1cnc(NC2CCCCCC2)[n-]c1=O	ZINC000408981701	385421312	/nfs/dbraw/zinc/42/13/12/385421312.db2.gz	WDTYBRKXESWALF-UHFFFAOYSA-N	-1	3	221.304	2.625	40	0		BFABHM
[S-]c1ccc(CN2CCSCC2)cc1	ZINC000095738730	386543170	/nfs/dbraw/zinc/54/31/70/386543170.db2.gz	JVTOCFVRQBBBIP-UHFFFAOYSA-N	-1	3	225.382	2.524	40	0		BFABHM
O=c1[nH]c2ccccc2c([O-])c1-c1ccccc1	ZINC000015924493	386895426	/nfs/dbraw/zinc/89/54/26/386895426.db2.gz	IPYIJVQAAGLSKC-CYBMUJFWSA-N	-1	3	237.258	2.605	40	0		BFABHM
CC(C)Oc1c2ccccc2oc1C(=O)[O-]	ZINC000039186635	167284186	/nfs/dbraw/zinc/28/41/86/167284186.db2.gz	XAGFBPDWZBXKKL-UHFFFAOYSA-N	-1	3	220.224	2.918	40	0		BFABHM