smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c(C)sc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)c1C#N	ZINC000002761921	209382407	/nfs/dbraw/zinc/38/24/07/209382407.db2.gz	PVASRSWHLSAWSC-UHFFFAOYSA-N	-1	3	385.876	5.360	50	30		GKEAHM
Cc1cc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3)oc2cc1C	ZINC000001506973	209331326	/nfs/dbraw/zinc/33/13/26/209331326.db2.gz	XRVXYAHBIWHQJL-WYMPLXKRSA-N	-1	3	376.843	6.221	50	30		GKEAHM
N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1	ZINC000096792079	209241967	/nfs/dbraw/zinc/24/19/67/209241967.db2.gz	GWTUKVRPRDVHJL-LICLKQGHSA-N	-1	3	389.867	5.672	50	30		GKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c([O-])ccc2ccccc21	ZINC000001192370	212227075	/nfs/dbraw/zinc/22/70/75/212227075.db2.gz	CHOZSSSKKCJHKA-XMMPIXPASA-N	-1	3	384.479	5.767	50	30		GKEAHM
[O-]c1ccccc1C=Nc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1	ZINC000001057387	212210627	/nfs/dbraw/zinc/21/06/27/212210627.db2.gz	UFVXEUKHBVWKPO-FOKLQQMPSA-N	-1	3	382.250	5.993	50	30		GKEAHM
O=C(Nc1cccc(/N=C/c2ccccc2[O-])c1)c1ccc(Cl)cc1Cl	ZINC000000805579	212183900	/nfs/dbraw/zinc/18/39/00/212183900.db2.gz	MKHYNRJLLGOYQG-FSJBWODESA-N	-1	3	385.250	5.702	50	30		GKEAHM
C=CCOc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])c1	ZINC000015016645	212099236	/nfs/dbraw/zinc/09/92/36/212099236.db2.gz	PHPTWPMNDLTACF-HSZRJFAPSA-N	-1	3	397.478	5.410	50	30		GKEAHM
CCCCCCCn1c2ccccc2nc1N[C@H](C)c1cc(Cl)ccc1[O-]	ZINC000003643097	204017393	/nfs/dbraw/zinc/01/73/93/204017393.db2.gz	UAHIDIZONXHROX-MRXNPFEDSA-N	-1	3	385.939	6.539	50	30		GKEAHM
CC[C@@]1(C)C[C@](CC/N=C/c2ccccc2[O-])(c2ccccc2OC)CCO1	ZINC000004805421	204076575	/nfs/dbraw/zinc/07/65/75/204076575.db2.gz	XTRWYLUNPNUULW-FKQRJVGQSA-N	-1	3	381.516	5.127	50	30		GKEAHM
O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000009015466	204296335	/nfs/dbraw/zinc/29/63/35/204296335.db2.gz	ZSELYWTVVTWEEM-FQEVSTJZSA-N	-1	3	389.838	5.123	50	30		GKEAHM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2)ccc1[O-]	ZINC000000714052	206319108	/nfs/dbraw/zinc/31/91/08/206319108.db2.gz	DINFUCDBVOLTDK-ZVHZXABRSA-N	-1	3	391.858	5.510	50	30		GKEAHM
[O-]c1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1	ZINC000001032094	206343365	/nfs/dbraw/zinc/34/33/65/206343365.db2.gz	GFZYQKMEJHELRA-BRJLIKDPSA-N	-1	3	375.321	6.093	50	30		GKEAHM
CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2ccc([O-])cc2)cc1	ZINC000002054418	206397044	/nfs/dbraw/zinc/39/70/44/206397044.db2.gz	ZALDKJKVJSSEFL-WGOQTCKBSA-N	-1	3	383.495	5.838	50	30		GKEAHM
Cc1cc(C(=O)[N-]c2scc(-c3ccc(Cl)c(Cl)c3)c2C#N)no1	ZINC000013329154	221264887	/nfs/dbraw/zinc/26/48/87/221264887.db2.gz	XAVWDHUSNUBLNS-UHFFFAOYSA-N	-1	3	378.240	5.142	50	30		GKEAHM
C=CCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002743318	519046522	/nfs/dbraw/zinc/04/65/22/519046522.db2.gz	MIRAELMWLIJDLU-QFIPXVFZSA-N	-1	3	383.451	5.102	50	30		GKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2cccc3ccccc23)ccc1[O-]	ZINC000100507503	521907232	/nfs/dbraw/zinc/90/72/32/521907232.db2.gz	YZBITJNZSGATBI-WGOQTCKBSA-N	-1	3	393.446	5.619	50	30		GKEAHM
COc1ccccc1[C@H](CC/N=C/c1ccccc1[O-])[C@H]1CCOC(C)(C)C1	ZINC000100744488	524789327	/nfs/dbraw/zinc/78/93/27/524789327.db2.gz	RFBQGXKIZQGLDS-XLHPUGLWSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
COc1ccc([C@@H](CC/N=C/c2ccccc2[O-])[C@H]2CCOC(C)(C)C2)cc1	ZINC000004027840	525177326	/nfs/dbraw/zinc/17/73/26/525177326.db2.gz	MFJRMYNIXYXNOJ-BPBPGELDSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1	ZINC000102419316	526342004	/nfs/dbraw/zinc/34/20/04/526342004.db2.gz	HIQVZTMPKZRNSK-WSDLNYQXSA-N	-1	3	393.240	5.714	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000096576790	526355091	/nfs/dbraw/zinc/35/50/91/526355091.db2.gz	HOGBVHJKILMIRU-DHRITJCHSA-N	-1	3	388.536	6.220	50	30		GKEAHM
[O-]c1ccccc1/C=N/[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1	ZINC000103547535	526370024	/nfs/dbraw/zinc/37/00/24/526370024.db2.gz	NUGMMURPTOZEGE-KWKULGJVSA-N	-1	3	393.486	5.489	50	30		GKEAHM
[O-]c1ccccc1/N=C(C(=N/c1ccccc1O)/c1ccccc1)\c1ccccc1	ZINC000103644201	526370464	/nfs/dbraw/zinc/37/04/64/526370464.db2.gz	CSKQFTYVPABQDQ-NBHCHVEOSA-N	-1	3	392.458	6.040	50	30		GKEAHM
O=C(NCc1ccccc1)c1c(/N=C\c2cccc([O-])c2)sc2c1CCCC2	ZINC000017821289	526737485	/nfs/dbraw/zinc/73/74/85/526737485.db2.gz	KHGXOIFEMDHVGO-MYYYXRDXSA-N	-1	3	390.508	5.013	50	30		GKEAHM
O=C(NCc1ccccc1)c1c(/N=C/c2ccccc2[O-])sc2c1CCCC2	ZINC000098086342	526737926	/nfs/dbraw/zinc/73/79/26/526737926.db2.gz	YTTZCXWVUPTNBQ-MFKUBSTISA-N	-1	3	390.508	5.013	50	30		GKEAHM
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1)c1cc2ccccc2o1	ZINC000102419354	527154011	/nfs/dbraw/zinc/15/40/11/527154011.db2.gz	PEXVLBAIXGDCQY-ZMOGYAJESA-N	-1	3	390.826	5.795	50	30		GKEAHM
Cc1ccc(-c2nc3cc(/N=C/c4c([O-])cc(C)c(Cl)c4C)ccc3o2)cc1	ZINC000002071396	570273441	/nfs/dbraw/zinc/27/34/41/570273441.db2.gz	LOGDSDSXNCMBCJ-BRJLIKDPSA-N	-1	3	390.870	6.530	50	30		GKEAHM
C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1[O-]	ZINC000002858862	570390520	/nfs/dbraw/zinc/39/05/20/570390520.db2.gz	SBKYUXUWQQTSRP-UHFFFAOYSA-N	-1	3	392.311	5.436	50	30		GKEAHM
C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1[O-]	ZINC000002851449	570390661	/nfs/dbraw/zinc/39/06/61/570390661.db2.gz	FPQNFYFCACHUCY-UHFFFAOYSA-N	-1	3	392.311	5.436	50	30		GKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3noc4c3CCCCC4)sc2C1	ZINC000004881302	570415161	/nfs/dbraw/zinc/41/51/61/570415161.db2.gz	LFJDGOOGHKSHIG-CYBMUJFWSA-N	-1	3	397.544	5.280	50	30		GKEAHM
O=C(Nc1cc(/N=C/c2cc(Cl)ccc2[O-])ccc1Cl)c1ccccc1	ZINC000005173409	570492557	/nfs/dbraw/zinc/49/25/57/570492557.db2.gz	PQHPVSILVJTKBR-FSJBWODESA-N	-1	3	385.250	5.702	50	30		GKEAHM
[O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc2c3c(cccc31)CC2	ZINC000005174261	570492782	/nfs/dbraw/zinc/49/27/82/570492782.db2.gz	IRNXQQLUJGAGAU-LQKURTRISA-N	-1	3	397.905	6.639	50	30		GKEAHM
CCCCCCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1	ZINC000003016502	570529490	/nfs/dbraw/zinc/52/94/90/570529490.db2.gz	PXVOJACDEMYEAU-UHFFFAOYSA-N	-1	3	396.900	5.255	50	30		GKEAHM
CC(C)(C)c1ccc([O-])c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1	ZINC000003068826	570533773	/nfs/dbraw/zinc/53/37/73/570533773.db2.gz	XIYDLOUSKIJKFI-YDZHTSKRSA-N	-1	3	398.300	6.463	50	30		GKEAHM
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C(\C)c1ccccc1[O-]	ZINC000004476801	570794848	/nfs/dbraw/zinc/79/48/48/570794848.db2.gz	GPALEEIYZWAGNZ-DAEAJKMYSA-N	-1	3	383.904	5.087	50	30		GKEAHM
CCCCCCCCOc1ccc(-c2ccc(-c3ncc([O-])cn3)cc2)cc1	ZINC000003215854	570838885	/nfs/dbraw/zinc/83/88/85/570838885.db2.gz	LVYUGWHRHISGKJ-UHFFFAOYSA-N	-1	3	376.500	6.256	50	30		GKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1	ZINC000004078792	570931071	/nfs/dbraw/zinc/93/10/71/570931071.db2.gz	PPIDBJOABOLVIO-SNVBAGLBSA-N	-1	3	397.481	5.120	50	30		GKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1	ZINC000004078793	570931254	/nfs/dbraw/zinc/93/12/54/570931254.db2.gz	PPIDBJOABOLVIO-JTQLQIEISA-N	-1	3	397.481	5.120	50	30		GKEAHM
O=C(c1ccccc1)c1ccc(N=Cc2cc(Br)ccc2[O-])cc1	ZINC000252460329	570960034	/nfs/dbraw/zinc/96/00/34/570960034.db2.gz	DOHRCNSKBVADNE-UHFFFAOYSA-N	-1	3	380.241	5.136	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1	ZINC000003169724	570966860	/nfs/dbraw/zinc/96/68/60/570966860.db2.gz	PIVOGYFHHVTSEC-VULFUBBASA-N	-1	3	398.849	6.758	50	30		GKEAHM
[O-]c1ccc(Br)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1	ZINC000252588705	570997772	/nfs/dbraw/zinc/99/77/72/570997772.db2.gz	ADXBWSNQGSUCEE-UHFFFAOYSA-N	-1	3	393.240	5.714	50	30		GKEAHM
[O-]c1ccccc1N=C(C(=Nc1ccccc1O)c1ccccc1)c1ccccc1	ZINC000252597541	571004301	/nfs/dbraw/zinc/00/43/01/571004301.db2.gz	CSKQFTYVPABQDQ-UHFFFAOYSA-N	-1	3	392.458	6.040	50	30		GKEAHM
Cc1cc([O-])c(/C=N/c2ccc(I)cc2)c(C)c1Cl	ZINC000001435144	571006685	/nfs/dbraw/zinc/00/66/85/571006685.db2.gz	JDQJRWHDHRMKHM-QGMBQPNBSA-N	-1	3	385.632	5.018	50	30		GKEAHM
[O-]c1ccc2cc(Br)ccc2c1C=Nc1cccc2nsnc21	ZINC000252607298	571007665	/nfs/dbraw/zinc/00/76/65/571007665.db2.gz	GZQROPMWAUYRDC-UHFFFAOYSA-N	-1	3	384.258	5.063	50	30		GKEAHM
CN(C)c1ccc(-c2nc3ccccn3c2N=Cc2cc(Cl)ccc2[O-])cc1	ZINC000252612930	571015702	/nfs/dbraw/zinc/01/57/02/571015702.db2.gz	IXFYPBYBSWZKKA-UHFFFAOYSA-N	-1	3	390.874	5.177	50	30		GKEAHM
CCOc1ccc(C(CCCCC(=NO)c2ccc(OCC)cc2)=N[O-])cc1	ZINC000252616109	571018447	/nfs/dbraw/zinc/01/84/47/571018447.db2.gz	JXCQTUNFQOMDCS-UHFFFAOYSA-N	-1	3	384.476	5.101	50	30		GKEAHM
Cc1cc2nc(-c3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3)oc2c(C)c1	ZINC000001884390	209341872	/nfs/dbraw/zinc/34/18/72/209341872.db2.gz	CWWXPTAUOCKNGG-JFLMPSFJSA-N	-1	3	392.458	6.721	50	30		GKEAHM
O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1c([O-])ccc2ccccc21	ZINC000001882183	209341501	/nfs/dbraw/zinc/34/15/01/209341501.db2.gz	MZKWHEWIHMLBQB-CVKSISIWSA-N	-1	3	385.850	6.180	50	30		GKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c([O-])ccc2ccccc21	ZINC000001192375	209311789	/nfs/dbraw/zinc/31/17/89/209311789.db2.gz	CHOZSSSKKCJHKA-DEOSSOPVSA-N	-1	3	384.479	5.767	50	30		GKEAHM
CCOC(=O)c1c(/N=C/c2c([O-])ccc3ccccc32)sc2c1CC[C@@H](C)C2	ZINC000000677178	209258101	/nfs/dbraw/zinc/25/81/01/209258101.db2.gz	NGHQBVPSTMZGGA-FIKYGGOLSA-N	-1	3	393.508	5.659	50	30		GKEAHM
Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1c([O-])ccc2ccccc21	ZINC000000989565	212202369	/nfs/dbraw/zinc/20/23/69/212202369.db2.gz	WTWJVCQICKFNNM-CVKSISIWSA-N	-1	3	377.447	6.148	50	30		GKEAHM
CCN(CC)c1ccc(/C=N/c2ccc(Br)c(Cl)c2)c([O-])c1	ZINC000000647446	212170000	/nfs/dbraw/zinc/17/00/00/212170000.db2.gz	NJOUARIADKLPQL-RGVLZGJSSA-N	-1	3	381.701	5.405	50	30		GKEAHM
COc1ccc(Cl)c(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1[O-]	ZINC000004181438	204031409	/nfs/dbraw/zinc/03/14/09/204031409.db2.gz	SUCZAIGOKWWMIA-BHGWPJFGSA-N	-1	3	396.805	5.752	50	30		GKEAHM
N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)cc1	ZINC000006509859	204181493	/nfs/dbraw/zinc/18/14/93/204181493.db2.gz	KYWLNSAHDNVCQW-ZSOIEALJSA-N	-1	3	395.896	5.322	50	30		GKEAHM
C=CCOc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c1	ZINC000002470426	209171128	/nfs/dbraw/zinc/17/11/28/209171128.db2.gz	KIEUZMGIGVLZNF-QFIPXVFZSA-N	-1	3	383.451	5.102	50	30		GKEAHM
C=CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002470421	209171116	/nfs/dbraw/zinc/17/11/16/209171116.db2.gz	RXCVVXPBOOEDGK-QHCPKHFHSA-N	-1	3	397.478	5.410	50	30		GKEAHM
C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccccc2)c([O-])c1	ZINC000005427255	206293685	/nfs/dbraw/zinc/29/36/85/206293685.db2.gz	IRKUSWLOHBYRBT-UHFFFAOYSA-N	-1	3	375.346	5.688	50	30		GKEAHM
O=c1oc2ccccc2cc1-c1csc(/N=C/c2c([O-])ccc3ccccc32)n1	ZINC000001506834	206384926	/nfs/dbraw/zinc/38/49/26/206384926.db2.gz	YWULYBMREASACQ-WYMPLXKRSA-N	-1	3	398.443	5.526	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cccn2cc(-c3ccccc3)nc12	ZINC000015961173	221354121	/nfs/dbraw/zinc/35/41/21/221354121.db2.gz	RNFBNZKVTPGHIR-WSDLNYQXSA-N	-1	3	392.256	5.220	50	30		GKEAHM
CCCCCCCCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1	ZINC000103260163	520042104	/nfs/dbraw/zinc/04/21/04/520042104.db2.gz	XZBXBDAZLUGVPA-UHFFFAOYSA-N	-1	3	382.456	5.611	50	30		GKEAHM
CCCCCCCn1c2ccccc2nc1/N=C(\C)c1cc(Cl)ccc1[O-]	ZINC000100700423	520072367	/nfs/dbraw/zinc/07/23/67/520072367.db2.gz	XWHGOEGTVQJNQZ-LFVJCYFKSA-N	-1	3	383.923	6.506	50	30		GKEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2	ZINC000020647074	520742413	/nfs/dbraw/zinc/74/24/13/520742413.db2.gz	WPGRHIFPVZLYIY-JLPGSUDCSA-N	-1	3	399.490	5.517	50	30		GKEAHM
COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1[O-]	ZINC000013137525	521938156	/nfs/dbraw/zinc/93/81/56/521938156.db2.gz	BIEWGRVKIRIVJZ-RUDMXATFSA-N	-1	3	375.262	5.183	50	30		GKEAHM
COc1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1[O-]	ZINC000033751113	521982907	/nfs/dbraw/zinc/98/29/07/521982907.db2.gz	LYBZVPQWRCCIDH-YHYXMXQVSA-N	-1	3	389.289	5.357	50	30		GKEAHM
Cc1ccc(NC(=O)CSc2ccc(/N=C/c3ccccc3[O-])cc2)cc1C	ZINC000100102368	525076022	/nfs/dbraw/zinc/07/60/22/525076022.db2.gz	MCIAODXGSVFCRQ-ZVHZXABRSA-N	-1	3	390.508	5.490	50	30		GKEAHM
C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020647372	526251758	/nfs/dbraw/zinc/25/17/58/526251758.db2.gz	BCLDHZFTYVFEKU-PXNCGERRSA-N	-1	3	389.451	5.129	50	30	biogenic	GKEAHM
[O-]c1ccccc1/C=N/[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1	ZINC000103547541	526370611	/nfs/dbraw/zinc/37/06/11/526370611.db2.gz	NUGMMURPTOZEGE-FTJHDQQKSA-N	-1	3	393.486	5.489	50	30		GKEAHM
CC(C)(C)c1cc([O-])c(C=NNc2cccc3cccnc32)c(C(C)(C)C)c1	ZINC000009426235	526759024	/nfs/dbraw/zinc/75/90/24/526759024.db2.gz	BZGFOTCNZKAUFP-CVKSISIWSA-N	-1	3	375.516	5.981	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl	ZINC000001033149	570236223	/nfs/dbraw/zinc/23/62/23/570236223.db2.gz	YMOJROHGERMSBJ-IFRROFPPSA-N	-1	3	378.575	5.578	50	30		GKEAHM
COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1[O-]	ZINC000002369784	570284727	/nfs/dbraw/zinc/28/47/27/570284727.db2.gz	UWHCIHOEPFOIAG-JVWAILMASA-N	-1	3	394.430	5.950	50	30		GKEAHM
Cc1ccc2nc(-c3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3)sc2c1	ZINC000003129918	570329942	/nfs/dbraw/zinc/32/99/42/570329942.db2.gz	NESJLBTVAXYFIG-CVKSISIWSA-N	-1	3	394.499	6.881	50	30		GKEAHM
CCCCCCOc1ccc(/C=N/c2ccc(CCCCCC)cc2)c([O-])c1	ZINC000003894678	570353385	/nfs/dbraw/zinc/35/33/85/570353385.db2.gz	SRDBXBLEAALBRE-LHLOQNFPSA-N	-1	3	381.560	7.225	50	30		GKEAHM
Cc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004205049	570363115	/nfs/dbraw/zinc/36/31/15/570363115.db2.gz	BHKBOXPKVWDNJR-FQEVSTJZSA-N	-1	3	399.494	5.087	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1	ZINC000005125741	570421404	/nfs/dbraw/zinc/42/14/04/570421404.db2.gz	KTXHFBIXMZEWDG-VULFUBBASA-N	-1	3	397.865	6.493	50	30		GKEAHM
C[C@H]1CCc2sc([N-]C(=O)c3sc4ccccc4c3Cl)c(C#N)c2C1	ZINC000005193556	570499731	/nfs/dbraw/zinc/49/97/31/570499731.db2.gz	HQESKPKTNOQWLT-JTQLQIEISA-N	-1	3	386.929	5.865	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4ccccc43)nc2c1	ZINC000003102910	570504103	/nfs/dbraw/zinc/50/41/03/570504103.db2.gz	ZSJKXUUMCBSAOH-VULFUBBASA-N	-1	3	398.849	6.758	50	30		GKEAHM
Cc1cccc(-c2nc3cc(/N=C/c4c([O-])cc(C)c(Cl)c4C)ccc3o2)c1	ZINC000003117092	570664047	/nfs/dbraw/zinc/66/40/47/570664047.db2.gz	FSYZIIAHLFCHOR-BRJLIKDPSA-N	-1	3	390.870	6.530	50	30		GKEAHM
Cc1ccc2c(Cl)c(C(=O)[N-]c3sc4c(c3C#N)CCOC4)sc2c1	ZINC000000892384	570709493	/nfs/dbraw/zinc/70/94/93/570709493.db2.gz	OSXMQAYGCKTHAK-UHFFFAOYSA-N	-1	3	388.901	5.121	50	30		GKEAHM
O=C(Cc1c(Cl)cccc1Cl)Nc1nnc(SCc2ccccc2)[n-]1	ZINC000012974508	570733943	/nfs/dbraw/zinc/73/39/43/570733943.db2.gz	UQOZGBKSTQIQLL-UHFFFAOYSA-N	-1	3	393.299	5.235	50	30		GKEAHM
O=C(Cc1c(Cl)cccc1Cl)Nc1nc(SCc2ccccc2)n[n-]1	ZINC000012974508	570733948	/nfs/dbraw/zinc/73/39/48/570733948.db2.gz	UQOZGBKSTQIQLL-UHFFFAOYSA-N	-1	3	393.299	5.235	50	30		GKEAHM
O=C(Cc1c(Cl)cccc1Cl)Nc1n[n-]c(SCc2ccccc2)n1	ZINC000012974508	570733952	/nfs/dbraw/zinc/73/39/52/570733952.db2.gz	UQOZGBKSTQIQLL-UHFFFAOYSA-N	-1	3	393.299	5.235	50	30		GKEAHM
CC(=O)C(Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1)=C(C)[O-]	ZINC000015218344	570787400	/nfs/dbraw/zinc/78/74/00/570787400.db2.gz	FHQVYPYFONNOOD-SFQUDFHCSA-N	-1	3	385.876	5.058	50	30		GKEAHM
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2[O-])sc2c1CCCC2	ZINC000018173447	570807436	/nfs/dbraw/zinc/80/74/36/570807436.db2.gz	YHOMPCJATDZAAX-OEAKJJBVSA-N	-1	3	376.481	5.335	50	30		GKEAHM
CCN(CC)c1ccc(C=Nc2ccccc2C(=O)Nc2ccccc2)c([O-])c1	ZINC000252460288	570960156	/nfs/dbraw/zinc/96/01/56/570960156.db2.gz	DCNSBLZLNKQIFF-UHFFFAOYSA-N	-1	3	387.483	5.241	50	30		GKEAHM
Cc1oc(-c2cccs2)nc1C(=O)[N-]c1sc2c(c1C#N)CCCCC2	ZINC000084053024	570992176	/nfs/dbraw/zinc/99/21/76/570992176.db2.gz	COFYNBWHWOIEQG-UHFFFAOYSA-N	-1	3	383.498	5.166	50	30		GKEAHM
Cc1cccc2oc(-c3ccc(C)c(N=Cc4cc(Cl)ccc4[O-])c3)nc21	ZINC000252592253	571000919	/nfs/dbraw/zinc/00/09/19/571000919.db2.gz	BEEMSSYFEAGWMX-UHFFFAOYSA-N	-1	3	376.843	6.221	50	30		GKEAHM
[O-]c1ccc2ccccc2c1C=Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000252608857	571009014	/nfs/dbraw/zinc/00/90/14/571009014.db2.gz	HOGBVHJKILMIRU-UHFFFAOYSA-N	-1	3	388.536	6.220	50	30		GKEAHM
[O-]c1ccc2ccccc2c1C=Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1	ZINC000252609774	571009610	/nfs/dbraw/zinc/00/96/10/571009610.db2.gz	HVIQAUYHYLYTMC-UHFFFAOYSA-N	-1	3	398.849	6.758	50	30		GKEAHM
CCOC(=O)c1c(C)c(C)sc1N=Cc1c2c(ccc1[O-])oc1c2CCCC1	ZINC000252616100	571018332	/nfs/dbraw/zinc/01/83/32/571018332.db2.gz	JWYUATFRQICXSO-UHFFFAOYSA-N	-1	3	397.496	5.623	50	30		GKEAHM
CCOC(=O)c1c(N=Cc2c([O-])ccc3ccccc32)sc2c1CC[C@H](C)C2	ZINC000252621765	571033453	/nfs/dbraw/zinc/03/34/53/571033453.db2.gz	NGHQBVPSTMZGGA-AWEZNQCLSA-N	-1	3	393.508	5.659	50	30		GKEAHM
N#CCCSc1ccccc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000004176930	230832954	/nfs/dbraw/zinc/83/29/54/230832954.db2.gz	QBRHOXUIADBTKA-UHFFFAOYSA-N	-1	3	383.454	5.068	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/N=C(c1ccccc1)c1ccccc1	ZINC000002087542	209346568	/nfs/dbraw/zinc/34/65/68/209346568.db2.gz	MCRAMGCIBYYDPI-HYARGMPZSA-N	-1	3	379.257	5.026	50	30		GKEAHM
COc1cc2c(cc1/N=C/c1cc(Br)ccc1[O-])oc1ccccc12	ZINC000001099813	209299780	/nfs/dbraw/zinc/29/97/80/209299780.db2.gz	BPWOIDNTXCBGOT-SSDVNMTOSA-N	-1	3	396.240	5.813	50	30		GKEAHM
O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000001054656	209293832	/nfs/dbraw/zinc/29/38/32/209293832.db2.gz	YFQSKNMHRGODJV-ZMOGYAJESA-N	-1	3	375.811	5.570	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000001219355	212230746	/nfs/dbraw/zinc/23/07/46/212230746.db2.gz	QIZMSIZOKPIPBG-TVXVBNPNSA-N	-1	3	399.421	5.008	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000000802258	212182879	/nfs/dbraw/zinc/18/28/79/212182879.db2.gz	HMAFAOOQLQFENL-FOKLQQMPSA-N	-1	3	383.234	6.258	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1	ZINC000004359736	204040220	/nfs/dbraw/zinc/04/02/20/204040220.db2.gz	YRSDSEQTOXUCJB-WYMPLXKRSA-N	-1	3	382.813	5.805	50	30		GKEAHM
CCc1ccc2oc(-c3cccc(/N=C/c4c([O-])ccc5ccccc54)c3)nc2c1	ZINC000004603606	204056700	/nfs/dbraw/zinc/05/67/00/204056700.db2.gz	OISFBAYYMBBVCE-JVWAILMASA-N	-1	3	392.458	6.667	50	30		GKEAHM
Cc1onc(-c2ccccc2)c1C(=O)[N-]c1sc2c(c1C#N)CCCCC2	ZINC000002486381	220539323	/nfs/dbraw/zinc/53/93/23/220539323.db2.gz	UGVWQEBQCKOXPR-UHFFFAOYSA-N	-1	3	377.469	5.104	50	30		GKEAHM
CC(C)CN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N/c1ccccc1	ZINC000100299745	519719069	/nfs/dbraw/zinc/71/90/69/519719069.db2.gz	WRGOQCHLFHCCGS-HZMZRVLWSA-N	-1	3	386.904	5.306	50	30		GKEAHM
CCCCCCCCCCS(=O)(=O)[N-]/N=C/c1ccc(Cl)cc1Cl	ZINC000033355292	520023161	/nfs/dbraw/zinc/02/31/61/520023161.db2.gz	YONIQZDFQBJYAU-XSFVSMFZSA-N	-1	3	393.380	5.387	50	30		GKEAHM
COc1cc(/N=C/c2c([O-])ccc3ccccc32)ccc1NC(=O)c1ccco1	ZINC000102417365	522013540	/nfs/dbraw/zinc/01/35/40/522013540.db2.gz	JBISONRHGNPYPI-ZVHZXABRSA-N	-1	3	386.407	5.150	50	30		GKEAHM
C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020647369	524115445	/nfs/dbraw/zinc/11/54/45/524115445.db2.gz	BCLDHZFTYVFEKU-VUZLNAKASA-N	-1	3	389.451	5.129	50	30	biogenic	GKEAHM
COc1ccccc1[C@H](CC/N=C/c1ccccc1[O-])[C@@H]1CCOC(C)(C)C1	ZINC000100289353	524788934	/nfs/dbraw/zinc/78/89/34/524788934.db2.gz	RFBQGXKIZQGLDS-FYSVRGLLSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
Cc1cc([O-])c(CN2CCCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020647353	525316796	/nfs/dbraw/zinc/31/67/96/525316796.db2.gz	BKYICNAMRARSCT-BKUYFWCQSA-N	-1	3	389.451	5.049	50	30	biogenic	GKEAHM
[O-]c1ccccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000100502938	526370315	/nfs/dbraw/zinc/37/03/15/526370315.db2.gz	POLQHUZJDGSJPW-WSDLNYQXSA-N	-1	3	393.240	5.714	50	30		GKEAHM
Cn1nc(-c2ccccc2)c(/C=N/[O-])c1Sc1cccc(C(F)(F)F)c1	ZINC000100271469	527536508	/nfs/dbraw/zinc/53/65/08/527536508.db2.gz	KVLFSICXPGEGJZ-SSDVNMTOSA-N	-1	3	377.391	5.065	50	30		GKEAHM
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc([O-])c1	ZINC000023165160	527626494	/nfs/dbraw/zinc/62/64/94/527626494.db2.gz	UYHNHWIKUJGCFN-VAWYXSNFSA-N	-1	3	377.827	5.194	50	30		GKEAHM
CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1OCC	ZINC000096792671	528612025	/nfs/dbraw/zinc/61/20/25/528612025.db2.gz	YFBWNEXTDLFVOG-VURMDHGXSA-N	-1	3	390.863	5.138	50	30		GKEAHM
Cc1cc2c(cc1C)N[C@H](c1cc(Cl)ccc1[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000005068857	570428176	/nfs/dbraw/zinc/42/81/76/570428176.db2.gz	FRDVZSMIAMUOEJ-JOCHJYFZSA-N	-1	3	396.918	5.884	50	30		GKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000005595801	570448319	/nfs/dbraw/zinc/44/83/19/570448319.db2.gz	QVYLNTRNTNXHGH-JOCHJYFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C)c2)cc1	ZINC000005595801	570448321	/nfs/dbraw/zinc/44/83/21/570448321.db2.gz	QVYLNTRNTNXHGH-JOCHJYFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
CC[C@@H](C)c1ccc([O-])c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1	ZINC000001948875	570450897	/nfs/dbraw/zinc/45/08/97/570450897.db2.gz	JXVCTNRSLMYWEV-KSXCTLEASA-N	-1	3	393.914	6.606	50	30		GKEAHM
C=CCN(CC=C)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1ccccc1C	ZINC000005182766	570496719	/nfs/dbraw/zinc/49/67/19/570496719.db2.gz	AYZRRYAALQGXSE-UHFFFAOYSA-N	-1	3	390.483	5.182	50	30		GKEAHM
CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c([O-])c(O)c1	ZINC000033861467	570529731	/nfs/dbraw/zinc/52/97/31/570529731.db2.gz	TYCUSKFOGZNIBO-UHFFFAOYSA-N	-1	3	394.552	6.442	50	30	in-vivo	GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cccc(-c2nc3ccccc3s2)c1	ZINC000004599204	570631693	/nfs/dbraw/zinc/63/16/93/570631693.db2.gz	DLSDVBDTSXOKCK-MFKUBSTISA-N	-1	3	380.472	6.573	50	30		GKEAHM
CC(C)c1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1	ZINC000012348183	570645679	/nfs/dbraw/zinc/64/56/79/570645679.db2.gz	NDFSHBDIIVSQGX-NRFANRHFSA-N	-1	3	399.494	5.266	50	30		GKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2/N=C/c1ccccc1[O-]	ZINC000118918978	570654898	/nfs/dbraw/zinc/65/48/98/570654898.db2.gz	KCNVLMLASJSATC-NSJFOMEKSA-N	-1	3	379.588	6.613	50	30	biogenic	GKEAHM
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1sc2c(c1C#N)CCCC2	ZINC000000996455	570744323	/nfs/dbraw/zinc/74/43/23/570744323.db2.gz	IEYTVLZRFYNCEB-UHFFFAOYSA-N	-1	3	397.887	5.368	50	30		GKEAHM
C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1)c1ccccc1[O-]	ZINC000005975556	570811163	/nfs/dbraw/zinc/81/11/63/570811163.db2.gz	FSGZUKVYUMFMOF-NFCNUSAFSA-N	-1	3	391.858	5.036	50	30		GKEAHM
[O-]c1ccccc1/C=N\c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	ZINC000015938175	570909874	/nfs/dbraw/zinc/90/98/74/570909874.db2.gz	JHXXJFKAQKMUQJ-KSEXSDGBSA-N	-1	3	383.234	6.258	50	30		GKEAHM
N#Cc1c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCCCC2	ZINC000004079245	570930760	/nfs/dbraw/zinc/93/07/60/570930760.db2.gz	PWJPHJKOJQJVJD-UHFFFAOYSA-N	-1	3	397.481	5.264	50	30		GKEAHM
[O-]c1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(O)c1	ZINC000001434988	571007025	/nfs/dbraw/zinc/00/70/25/571007025.db2.gz	TZRHGQCHHCACDA-AUEPDCJTSA-N	-1	3	399.233	5.963	50	30		GKEAHM
[O-]c1cc(O)ccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1	ZINC000001434988	571007028	/nfs/dbraw/zinc/00/70/28/571007028.db2.gz	TZRHGQCHHCACDA-AUEPDCJTSA-N	-1	3	399.233	5.963	50	30		GKEAHM
O=C(c1ccccc1)c1cc(Br)ccc1N=Cc1ccccc1[O-]	ZINC000252619319	571021504	/nfs/dbraw/zinc/02/15/04/571021504.db2.gz	LNZUWJPUMJSHIF-UHFFFAOYSA-N	-1	3	380.241	5.136	50	30		GKEAHM
Cc1ccc2nc(-c3ccc(N=Cc4c([O-])ccc5ccccc54)cc3)oc2c1	ZINC000252621002	571033105	/nfs/dbraw/zinc/03/31/05/571033105.db2.gz	MQOGMNHUEWWPDJ-UHFFFAOYSA-N	-1	3	378.431	6.413	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1c(-c2ccccc2)nc2ccccn21	ZINC000004815763	571094227	/nfs/dbraw/zinc/09/42/27/571094227.db2.gz	WAJBZXDVKNONEZ-LPYMAVHISA-N	-1	3	392.256	5.220	50	30		GKEAHM
N#Cc1cccc(C=C(Cl)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1	ZINC000012804026	210011056	/nfs/dbraw/zinc/01/10/56/210011056.db2.gz	VLXVYXCUGHHEKF-YVLHZVERSA-N	-1	3	389.867	5.260	50	30		GKEAHM
CCOc1ccc(/C=N/c2ccc3c(c2)c2nc4ccccc4nc2n3C)c([O-])c1	ZINC000001511055	209330899	/nfs/dbraw/zinc/33/08/99/209330899.db2.gz	JSIKZZWEDLGQBB-AFUMVMLFSA-N	-1	3	396.450	5.130	50	30		GKEAHM
Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4[O-])c3)oc2c(C)c1	ZINC000002071743	212263198	/nfs/dbraw/zinc/26/31/98/212263198.db2.gz	YIERTSZFKCCNKW-BRJLIKDPSA-N	-1	3	390.870	6.530	50	30		GKEAHM
Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1c([O-])ccc2ccccc21	ZINC000004737221	204070442	/nfs/dbraw/zinc/07/04/42/204070442.db2.gz	PKBNJSJSPMKRPH-STBIYBPSSA-N	-1	3	395.546	7.072	50	30		GKEAHM
C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1)c1ccccc1[O-]	ZINC000005975555	204159953	/nfs/dbraw/zinc/15/99/53/204159953.db2.gz	FSGZUKVYUMFMOF-PFRKPPGBSA-N	-1	3	391.858	5.036	50	30		GKEAHM
O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000005596005	204141418	/nfs/dbraw/zinc/14/14/18/204141418.db2.gz	DDCCYGYPRUDTEH-FQEVSTJZSA-N	-1	3	389.838	5.123	50	30		GKEAHM
C=CCOc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])c1	ZINC000015015711	206247122	/nfs/dbraw/zinc/24/71/22/206247122.db2.gz	PUKGHUXPNZRMAT-HSZRJFAPSA-N	-1	3	397.478	5.410	50	30		GKEAHM
O=C(Nc1ccccc1)c1ccccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000000669910	206314615	/nfs/dbraw/zinc/31/46/15/206314615.db2.gz	BVMKXPSKQSOHNV-LPYMAVHISA-N	-1	3	395.256	5.158	50	30		GKEAHM
Cc1ccc2oc(-c3ccc(C)c(/N=C/c4c([O-])ccc5ccccc54)c3)nc2c1	ZINC000002071794	206397564	/nfs/dbraw/zinc/39/75/64/206397564.db2.gz	DOLLWEPLLMZTQP-JFLMPSFJSA-N	-1	3	392.458	6.721	50	30		GKEAHM
Cc1cc([O-])c(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c(C)c1Cl	ZINC000003140380	206460059	/nfs/dbraw/zinc/46/00/59/206460059.db2.gz	NXYGTDFUZSZPEH-BHGWPJFGSA-N	-1	3	377.831	5.616	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1	ZINC000008643201	221048669	/nfs/dbraw/zinc/04/86/69/221048669.db2.gz	JELBXPXHOMDHRJ-WSDLNYQXSA-N	-1	3	392.256	5.449	50	30		GKEAHM
CC(C)(C)c1cc(/N=C/c2c([O-])ccc3ccccc23)cc(C(C)(C)C)c1O	ZINC000103743803	518990466	/nfs/dbraw/zinc/99/04/66/518990466.db2.gz	SUZCLBSCPBSPRV-CVKSISIWSA-N	-1	3	375.512	6.597	50	30		GKEAHM
CCCCCCCCCCCCCCCCOc1ccc(C)cc1/C(C)=N\[O-]	ZINC000102313120	520002093	/nfs/dbraw/zinc/00/20/93/520002093.db2.gz	OPRKRBWBSOZPQI-RWEWTDSWSA-N	-1	3	389.624	8.053	50	30		GKEAHM
CCOc1cc(/C=C\C(=O)c2cc(C)sc2C)cc(Br)c1[O-]	ZINC000033502542	520637156	/nfs/dbraw/zinc/63/71/56/520637156.db2.gz	FIEZBYUYPFIOTQ-WAYWQWQTSA-N	-1	3	381.291	5.128	50	30		GKEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2	ZINC000020647013	520740316	/nfs/dbraw/zinc/74/03/16/520740316.db2.gz	YEHUFHAZXZICFI-STZFKDTASA-N	-1	3	379.500	5.148	50	30		GKEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2	ZINC000020646724	520741814	/nfs/dbraw/zinc/74/18/14/520741814.db2.gz	QIBPDFSXPJEMFW-ZDLGFXPLSA-N	-1	3	392.282	5.157	50	30		GKEAHM
CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1/N=C/c1ccccc1[O-]	ZINC000003018408	520872843	/nfs/dbraw/zinc/87/28/43/520872843.db2.gz	ZVINDAMCHNGCIQ-YZSQISJMSA-N	-1	3	381.560	7.036	50	30		GKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2)ccc1[O-]	ZINC000100026000	521905661	/nfs/dbraw/zinc/90/56/61/521905661.db2.gz	KEVNKXKOXUQGOM-YDZHTSKRSA-N	-1	3	377.831	5.120	50	30		GKEAHM
COc1ccccc1[C@@H](CC/N=C/c1ccccc1[O-])[C@H]1CCOC(C)(C)C1	ZINC000004027874	524729809	/nfs/dbraw/zinc/72/98/09/524729809.db2.gz	RFBQGXKIZQGLDS-AGTHYRQBSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
Cc1cccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4[O-])c3)nc21	ZINC000100507073	524994381	/nfs/dbraw/zinc/99/43/81/524994381.db2.gz	BEEMSSYFEAGWMX-WYMPLXKRSA-N	-1	3	376.843	6.221	50	30		GKEAHM
COc1ccc([C@@H](CC/N=C/c2ccccc2[O-])[C@@H]2CCOC(C)(C)C2)cc1	ZINC000004027839	525176780	/nfs/dbraw/zinc/17/67/80/525176780.db2.gz	MFJRMYNIXYXNOJ-NOUCXIAYSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000100511267	525822940	/nfs/dbraw/zinc/82/29/40/525822940.db2.gz	HSSJBYZBZFVZRF-BHGWPJFGSA-N	-1	3	397.261	6.566	50	30		GKEAHM
[O-]c1ccccc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	ZINC000096562001	526369988	/nfs/dbraw/zinc/36/99/88/526369988.db2.gz	SIZOZPLKSUFMNB-FOKLQQMPSA-N	-1	3	383.234	6.258	50	30		GKEAHM
Clc1ccc(-c2ccc(C=N[N-]c3nc(-c4ccccc4)cs3)o2)cc1	ZINC000009330099	526932416	/nfs/dbraw/zinc/93/24/16/526932416.db2.gz	MVPUMVOVAMBUHR-WSDLNYQXSA-N	-1	3	379.872	5.591	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000102889076	526956340	/nfs/dbraw/zinc/95/63/40/526956340.db2.gz	CKWXBRIQICOTIP-VCLBYKBQSA-N	-1	3	399.421	5.008	50	30		GKEAHM
CCOC(=O)c1c(/N=C/c2ccc3ccccc3c2[O-])sc2c1CCCC2	ZINC000000727317	570221404	/nfs/dbraw/zinc/22/14/04/570221404.db2.gz	HDZXZNQBMRSFAP-YDZHTSKRSA-N	-1	3	379.481	5.413	50	30		GKEAHM
Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4[O-])ccc3o2)cc1C	ZINC000001445297	570263474	/nfs/dbraw/zinc/26/34/74/570263474.db2.gz	YWPZWJJROAFGPC-WYMPLXKRSA-N	-1	3	376.843	6.221	50	30		GKEAHM
C=CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002743319	570285619	/nfs/dbraw/zinc/28/56/19/570285619.db2.gz	MIRAELMWLIJDLU-JOCHJYFZSA-N	-1	3	383.451	5.102	50	30		GKEAHM
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1[O-]	ZINC000014181560	570294747	/nfs/dbraw/zinc/29/47/47/570294747.db2.gz	CMTYEEPNEOYLAB-SDNWHVSQSA-N	-1	3	399.877	6.465	50	30		GKEAHM
[O-]c1ccc2cc(Br)ccc2c1C=NNc1cccc2cccnc21	ZINC000004991075	570422169	/nfs/dbraw/zinc/42/21/69/570422169.db2.gz	QOSLDOWRHNAHNE-FSJBWODESA-N	-1	3	392.256	5.302	50	30		GKEAHM
[O-]c1ccc(Cl)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F	ZINC000005034745	570425270	/nfs/dbraw/zinc/42/52/70/570425270.db2.gz	GDSHUSAFCQQYRY-QFSHWATDSA-N	-1	3	386.654	5.067	50	30		GKEAHM
O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000005596001	570448351	/nfs/dbraw/zinc/44/83/51/570448351.db2.gz	DDCCYGYPRUDTEH-HXUWFJFHSA-N	-1	3	389.838	5.123	50	30		GKEAHM
[O-]c1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(O)c1	ZINC000003115360	570485930	/nfs/dbraw/zinc/48/59/30/570485930.db2.gz	YCNPALUXBIGOJC-AUEPDCJTSA-N	-1	3	399.233	5.963	50	30		GKEAHM
[O-]c1cc(O)ccc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000003115360	570485932	/nfs/dbraw/zinc/48/59/32/570485932.db2.gz	YCNPALUXBIGOJC-AUEPDCJTSA-N	-1	3	399.233	5.963	50	30		GKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000006813175	570495069	/nfs/dbraw/zinc/49/50/69/570495069.db2.gz	RAISSUUIJUCFNM-JOCHJYFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000006813175	570495072	/nfs/dbraw/zinc/49/50/72/570495072.db2.gz	RAISSUUIJUCFNM-JOCHJYFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1	ZINC000003095300	570503197	/nfs/dbraw/zinc/50/31/97/570503197.db2.gz	ZUSSLKKODVLJLY-BRJLIKDPSA-N	-1	3	391.776	6.607	50	30		GKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2/N=C/c1ccccc1[O-]	ZINC000118918979	570654663	/nfs/dbraw/zinc/65/46/63/570654663.db2.gz	KCNVLMLASJSATC-CYVZMLAXSA-N	-1	3	379.588	6.613	50	30	biogenic	GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1c(-c2cccs2)nc2ccccn21	ZINC000005595262	570666066	/nfs/dbraw/zinc/66/60/66/570666066.db2.gz	OZBRDPVHCOPNPG-RGVLZGJSSA-N	-1	3	398.285	5.282	50	30		GKEAHM
CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(O)cc1[O-])C(C)(C)CCC2(C)C	ZINC000004670585	570818482	/nfs/dbraw/zinc/81/84/82/570818482.db2.gz	WNGSQEPFPWOSIW-JQMRRPHZSA-N	-1	3	392.543	5.852	50	30		GKEAHM
COC(=O)c1cc(-c2ccc(-c3ccc(/C=N\[O-])s3)s2)nc2ccccc21	ZINC000016667889	570930392	/nfs/dbraw/zinc/93/03/92/570930392.db2.gz	REDAGBJJXUSHHG-NHDPSOOVSA-N	-1	3	394.477	5.287	50	30		GKEAHM
N#CCCSc1ccccc1[N-]C(=O)c1cnc(-c2ccccc2Cl)s1	ZINC000108200747	570985616	/nfs/dbraw/zinc/98/56/16/570985616.db2.gz	QPBFDIKMHAKZCE-UHFFFAOYSA-N	-1	3	399.928	5.722	50	30		GKEAHM
Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc(Cl)ccc4[O-])c3)oc2c1	ZINC000252596554	571003805	/nfs/dbraw/zinc/00/38/05/571003805.db2.gz	CKJJFTYSIJWOOM-UHFFFAOYSA-N	-1	3	376.843	6.221	50	30		GKEAHM
CCOc1cc(-c2nc3ccccn3c2N=Cc2ccc(Cl)cc2)ccc1[O-]	ZINC000252599406	571004677	/nfs/dbraw/zinc/00/46/77/571004677.db2.gz	DINFUCDBVOLTDK-UHFFFAOYSA-N	-1	3	391.858	5.510	50	30		GKEAHM
COc1cc(-c2nc3ccccn3c2N=Cc2ccc(Cl)cc2)ccc1[O-]	ZINC000252616760	571018774	/nfs/dbraw/zinc/01/87/74/571018774.db2.gz	KEVNKXKOXUQGOM-UHFFFAOYSA-N	-1	3	377.831	5.120	50	30		GKEAHM
Cc1nn(-c2ccccc2)c(N=Cc2ccccc2[O-])c1-c1ccc(Cl)cc1	ZINC000252617451	571019140	/nfs/dbraw/zinc/01/91/40/571019140.db2.gz	KTBOXGBFAHGMJP-UHFFFAOYSA-N	-1	3	387.870	5.957	50	30		GKEAHM
[O-]c1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)ccc1N1CCCC1	ZINC000252618860	571021761	/nfs/dbraw/zinc/02/17/61/571021761.db2.gz	LKJHMFSAGKKMNI-UHFFFAOYSA-N	-1	3	384.401	5.915	50	30		GKEAHM
Cc1ccc2oc(-c3ccc(C)c(N=Cc4cc(Cl)ccc4[O-])c3)nc2c1	ZINC000252622686	571033926	/nfs/dbraw/zinc/03/39/26/571033926.db2.gz	OAMFHAAAHPANMS-UHFFFAOYSA-N	-1	3	376.843	6.221	50	30		GKEAHM
Cc1ccc2oc(-c3cccc(N=Cc4c([O-])ccc5ccccc54)c3)nc2c1	ZINC000252621905	571033994	/nfs/dbraw/zinc/03/39/94/571033994.db2.gz	NJRNSCHJQCJRLY-UHFFFAOYSA-N	-1	3	378.431	6.413	50	30		GKEAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccc(F)cc2)n1	ZINC000252623061	571034457	/nfs/dbraw/zinc/03/44/57/571034457.db2.gz	OJCPQZJGWODJJI-UHFFFAOYSA-N	-1	3	384.414	5.101	50	30		GKEAHM
C=CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1	ZINC000005799001	571043888	/nfs/dbraw/zinc/04/38/88/571043888.db2.gz	VWEBPVNAMWIUPI-QHCPKHFHSA-N	-1	3	397.478	5.410	50	30		GKEAHM
N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1	ZINC000012808913	210013271	/nfs/dbraw/zinc/01/32/71/210013271.db2.gz	GWTUKVRPRDVHJL-YVLHZVERSA-N	-1	3	389.867	5.260	50	30		GKEAHM
Cc1cc([O-])c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(C)c1Cl	ZINC000003066572	209409716	/nfs/dbraw/zinc/40/97/16/209409716.db2.gz	JIYSKFONMYTITB-WYMPLXKRSA-N	-1	3	376.843	6.221	50	30		GKEAHM
Cc1sc([N-]C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(C#N)c1C	ZINC000002872600	209394334	/nfs/dbraw/zinc/39/43/34/209394334.db2.gz	IJEWDGAFUCPAIE-UHFFFAOYSA-N	-1	3	391.861	5.265	50	30		GKEAHM
CCn1c2ccccc2c2cc(/N=C/c3cc(Br)ccc3[O-])ccc21	ZINC000002322724	209357486	/nfs/dbraw/zinc/35/74/86/209357486.db2.gz	LTHSAPPDVCZGMW-YDZHTSKRSA-N	-1	3	393.284	6.033	50	30		GKEAHM
COc1ccc2oc(-c3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3)nc2c1	ZINC000001512260	209331984	/nfs/dbraw/zinc/33/19/84/209331984.db2.gz	PQELHEUEJIIUSM-CVKSISIWSA-N	-1	3	394.430	6.113	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/N=C1c2ccccc2-c2ccccc21	ZINC000001710167	209336808	/nfs/dbraw/zinc/33/68/08/209336808.db2.gz	YUAUIPHIWKOMRY-WSDLNYQXSA-N	-1	3	377.241	5.007	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1	ZINC000001496784	209331230	/nfs/dbraw/zinc/33/12/30/209331230.db2.gz	CMUZUHCZTXALHG-WYMPLXKRSA-N	-1	3	397.261	6.182	50	30		GKEAHM
COc1ccccc1/N=C/c1c2c(cc(C(C)(C)C)c1[O-])oc1c2CCCC1	ZINC000001253325	209317063	/nfs/dbraw/zinc/31/70/63/209317063.db2.gz	LAWBESHEVWTZSB-AFUMVMLFSA-N	-1	3	377.484	6.074	50	30		GKEAHM
Cc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)s1	ZINC000000955291	209283835	/nfs/dbraw/zinc/28/38/35/209283835.db2.gz	JNPKFUFMCNHDRW-LPYMAVHISA-N	-1	3	398.553	5.533	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1	ZINC000000847935	209271913	/nfs/dbraw/zinc/27/19/13/209271913.db2.gz	VEOIBEOENDZGJZ-FOKLQQMPSA-N	-1	3	383.234	6.258	50	30		GKEAHM
COc1cc(Br)cc(/C=N/c2ccc3c(c2)oc2ccccc23)c1[O-]	ZINC000000826561	209269070	/nfs/dbraw/zinc/26/90/70/209269070.db2.gz	SQSSZOGVURMJKU-SSDVNMTOSA-N	-1	3	396.240	5.813	50	30		GKEAHM
COc1ccc([O-])c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1	ZINC000001883618	212259128	/nfs/dbraw/zinc/25/91/28/212259128.db2.gz	QYZLZSNBVAQUPS-JVWAILMASA-N	-1	3	394.430	5.950	50	30		GKEAHM
CCc1cc2c(cc1/C(C)=N/N=C/c1ccccc1[O-])C(C)(C)CCC2(C)C	ZINC000004812075	204077847	/nfs/dbraw/zinc/07/78/47/204077847.db2.gz	DUKCEEGISMTPBY-CTVDDJEBSA-N	-1	3	376.544	6.147	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1	ZINC000009015205	204296653	/nfs/dbraw/zinc/29/66/53/204296653.db2.gz	QLOSMHAJKRAPBX-HXUWFJFHSA-N	-1	3	389.838	5.123	50	30		GKEAHM
CC(C)c1ccc(/N=C/c2cc(Br)ccc2[O-])c(Br)c1	ZINC000001024775	206342336	/nfs/dbraw/zinc/34/23/36/206342336.db2.gz	OVVRZRMXWIDIKO-DJKKODMXSA-N	-1	3	397.110	5.791	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(-c2nc3ccccc3s2)cc1	ZINC000001951874	206395446	/nfs/dbraw/zinc/39/54/46/206395446.db2.gz	XHQJPVMDJQUTMN-MFKUBSTISA-N	-1	3	380.472	6.573	50	30		GKEAHM
N#Cc1c([N-]C(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCCCC2	ZINC000002084460	206398525	/nfs/dbraw/zinc/39/85/25/206398525.db2.gz	RUWJXJOZGLFZSL-UHFFFAOYSA-N	-1	3	380.847	5.463	50	30		GKEAHM
C[C@H](NC(=O)c1ccccc1/N=C/c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000100001948	211381465	/nfs/dbraw/zinc/38/14/65/211381465.db2.gz	UXJFDYIHRJGPFS-CICSQNLLSA-N	-1	3	394.474	5.787	50	30	in-vivo	GKEAHM
N#Cc1cccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)c1	ZINC000014179061	221301959	/nfs/dbraw/zinc/30/19/59/221301959.db2.gz	WOHCDLNCNMFNQV-ZSOIEALJSA-N	-1	3	395.896	5.322	50	30		GKEAHM
CCCCCCCCC/C(=N\[O-])c1cc(CCCCCC)c(OC)cc1O	ZINC000100166344	519976109	/nfs/dbraw/zinc/97/61/09/519976109.db2.gz	VXAYTTFWOYSUFE-DARPEHSRSA-N	-1	3	377.569	6.843	50	30		GKEAHM
CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2[O-])cc1	ZINC000098001388	519977071	/nfs/dbraw/zinc/97/70/71/519977071.db2.gz	KNPPLFMOKZELGZ-UHFFFAOYSA-N	-1	3	382.504	5.724	50	30	biogenic	GKEAHM
CCCCCCCCCCCCCCCCCC(=O)N([O-])c1ccccc1	ZINC000070665332	519990432	/nfs/dbraw/zinc/99/04/32/519990432.db2.gz	FLLZBMITAFEFHP-UHFFFAOYSA-N	-1	3	375.597	7.670	50	30	biogenic	GKEAHM
CCCCCCCCCCCCCCCCOc1ccc(/C(C)=N/[O-])c(O)c1	ZINC000100167163	520000823	/nfs/dbraw/zinc/00/08/23/520000823.db2.gz	MTUOFCHQHGGMDS-NJNXFGOHSA-N	-1	3	391.596	7.451	50	30		GKEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2	ZINC000020648802	520417395	/nfs/dbraw/zinc/41/73/95/520417395.db2.gz	PQMCCXGFFXYBIU-ODLFYWEKSA-N	-1	3	389.854	5.033	50	30		GKEAHM
CCCCN(C)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020649450	520417765	/nfs/dbraw/zinc/41/77/65/520417765.db2.gz	OEDRSBTUTZUGKJ-BKUYFWCQSA-N	-1	3	391.467	5.295	50	30		GKEAHM
CCOc1cc(/C=C/C(=O)c2cc(C)sc2C)cc(Br)c1[O-]	ZINC000006646935	520618757	/nfs/dbraw/zinc/61/87/57/520618757.db2.gz	FIEZBYUYPFIOTQ-AATRIKPKSA-N	-1	3	381.291	5.128	50	30		GKEAHM
CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000002285539	521370209	/nfs/dbraw/zinc/37/02/09/521370209.db2.gz	RQKTXLULUBRXLD-FOKLQQMPSA-N	-1	3	399.899	6.010	50	30		GKEAHM
COc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)ccc1[O-]	ZINC000026963712	521921237	/nfs/dbraw/zinc/92/12/37/521921237.db2.gz	QAYXYJUIPQMETC-QGOAFFKASA-N	-1	3	385.419	5.274	50	30	biogenic,in-vitro	GKEAHM
COc1cc(C(=O)/C=C/c2ccc(COc3cccc(Cl)c3)o2)ccc1[O-]	ZINC000006641587	522048958	/nfs/dbraw/zinc/04/89/58/522048958.db2.gz	JLVFIDDBEBUGTH-CSKARUKUSA-N	-1	3	384.815	5.122	50	30		GKEAHM
CCc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3o2)cc1	ZINC000098086882	523861532	/nfs/dbraw/zinc/86/15/32/523861532.db2.gz	YKXUICMGMCUVND-ZMOGYAJESA-N	-1	3	376.843	6.167	50	30		GKEAHM
Cc1ccc2oc(-c3cccc(/N=C/c4c([O-])ccc5ccccc54)c3)nc2c1	ZINC000100502885	524086225	/nfs/dbraw/zinc/08/62/25/524086225.db2.gz	NJRNSCHJQCJRLY-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
COc1ccccc1[C@@H](CC/N=C/c1ccccc1[O-])[C@@H]1CCOC(C)(C)C1	ZINC000004027873	524729780	/nfs/dbraw/zinc/72/97/80/524729780.db2.gz	RFBQGXKIZQGLDS-MRFHOMMXSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
Cc1ccccc1-c1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2o1	ZINC000098086892	525012841	/nfs/dbraw/zinc/01/28/41/525012841.db2.gz	SNQRUQCIZKMMOJ-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
Cc1cc(/N=C/c2cc(Br)ccc2[O-])ccc1NC(=O)c1ccco1	ZINC000059477047	526098756	/nfs/dbraw/zinc/09/87/56/526098756.db2.gz	OECPSOFKUWQWTA-SRZZPIQSSA-N	-1	3	399.244	5.059	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N\N=C1c2ccccc2-c2ccccc21	ZINC000013739106	526342025	/nfs/dbraw/zinc/34/20/25/526342025.db2.gz	YUAUIPHIWKOMRY-UUYOSTAYSA-N	-1	3	377.241	5.007	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccccc1-c1nc2ccccc2s1	ZINC000100481637	526354844	/nfs/dbraw/zinc/35/48/44/526354844.db2.gz	GOFWGWJJKRCBHF-MFKUBSTISA-N	-1	3	380.472	6.573	50	30		GKEAHM
Clc1ccc(COc2ccccc2C=N[N-]c2nc3ccccc3o2)cc1	ZINC000005770505	526951327	/nfs/dbraw/zinc/95/13/27/526951327.db2.gz	NXSUPJWROPLZCZ-YDZHTSKRSA-N	-1	3	377.831	5.506	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000102889079	526956537	/nfs/dbraw/zinc/95/65/37/526956537.db2.gz	CKWXBRIQICOTIP-BCXXCYPGSA-N	-1	3	399.421	5.008	50	30		GKEAHM
CCOC(=O)c1c(/N=C/c2c([O-])ccc3ccccc32)sc2c1CC[C@H](C)C2	ZINC000000677174	570216414	/nfs/dbraw/zinc/21/64/14/570216414.db2.gz	NGHQBVPSTMZGGA-KIQCMGJBSA-N	-1	3	393.508	5.659	50	30		GKEAHM
Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1c([O-])ccc2ccccc21	ZINC000000725330	570220789	/nfs/dbraw/zinc/22/07/89/570220789.db2.gz	BLBBOAILPDRKCB-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000001219357	570258852	/nfs/dbraw/zinc/25/88/52/570258852.db2.gz	QIZMSIZOKPIPBG-POICXBNUSA-N	-1	3	399.421	5.008	50	30		GKEAHM
Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c([O-])ccc5ccccc54)c3)oc2c1	ZINC000001955369	570270683	/nfs/dbraw/zinc/27/06/83/570270683.db2.gz	PIJAOBPZOLLLBO-JFLMPSFJSA-N	-1	3	392.458	6.721	50	30		GKEAHM
Cc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004205052	570363003	/nfs/dbraw/zinc/36/30/03/570363003.db2.gz	BHKBOXPKVWDNJR-HXUWFJFHSA-N	-1	3	399.494	5.087	50	30		GKEAHM
Cc1c(/N=C/c2c([O-])ccc3ccccc32)cccc1-c1nc2ccccc2o1	ZINC000004603977	570386869	/nfs/dbraw/zinc/38/68/69/570386869.db2.gz	NXUWKQPMOSHKSE-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
CCOc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)ccc1[O-]	ZINC000004859470	570413390	/nfs/dbraw/zinc/41/33/90/570413390.db2.gz	TXYSCNYDYNITQA-XMHGGMMESA-N	-1	3	399.446	5.664	50	30		GKEAHM
CC[C@H](C)c1ccc([O-])c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1	ZINC000001948879	570450866	/nfs/dbraw/zinc/45/08/66/570450866.db2.gz	JXVCTNRSLMYWEV-WBILBPDKSA-N	-1	3	393.914	6.606	50	30		GKEAHM
Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/c1c([O-])ccc2ccccc21	ZINC000005174270	570492811	/nfs/dbraw/zinc/49/28/11/570492811.db2.gz	JQFGFUVYTWMJIR-CVKSISIWSA-N	-1	3	394.499	6.881	50	30		GKEAHM
Cc1cccc2oc(-c3ccc(/N=C/c4c([O-])cc(C)c(Cl)c4C)cc3)nc21	ZINC000003083406	570502752	/nfs/dbraw/zinc/50/27/52/570502752.db2.gz	FNIINXOCJPQLLM-BRJLIKDPSA-N	-1	3	390.870	6.530	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1	ZINC000009015204	570546734	/nfs/dbraw/zinc/54/67/34/570546734.db2.gz	QLOSMHAJKRAPBX-FQEVSTJZSA-N	-1	3	389.838	5.123	50	30		GKEAHM
O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cc(Cl)ccc1Cl	ZINC000017027302	570937692	/nfs/dbraw/zinc/93/76/92/570937692.db2.gz	FKAPFMWPJIJLTE-AWEZNQCLSA-N	-1	3	385.703	5.109	50	30		GKEAHM
Cc1ccc(/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([O-])c1	ZINC000003170278	570966678	/nfs/dbraw/zinc/96/66/78/570966678.db2.gz	XXWGYVONMFUHJK-CIAFOILYSA-N	-1	3	393.355	5.060	50	30		GKEAHM
Cc1ccc2oc(-c3ccc(C)c(N=Cc4c([O-])ccc5ccccc54)c3)nc2c1	ZINC000252600199	571005028	/nfs/dbraw/zinc/00/50/28/571005028.db2.gz	DOLLWEPLLMZTQP-UHFFFAOYSA-N	-1	3	392.458	6.721	50	30		GKEAHM
[O-]c1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1	ZINC000252605124	571006436	/nfs/dbraw/zinc/00/64/36/571006436.db2.gz	GFZYQKMEJHELRA-UHFFFAOYSA-N	-1	3	375.321	6.093	50	30		GKEAHM
CC(=NN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1)c1ccccc1[O-]	ZINC000252603596	571006583	/nfs/dbraw/zinc/00/65/83/571006583.db2.gz	FSGZUKVYUMFMOF-OAQYLSRUSA-N	-1	3	391.858	5.036	50	30		GKEAHM
CC(=NN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1)c1ccccc1[O-]	ZINC000252603595	571006725	/nfs/dbraw/zinc/00/67/25/571006725.db2.gz	FSGZUKVYUMFMOF-NRFANRHFSA-N	-1	3	391.858	5.036	50	30		GKEAHM
COc1cccc(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1[O-]	ZINC000252620336	571026778	/nfs/dbraw/zinc/02/67/78/571026778.db2.gz	MCBIJAYNLHBHFQ-UHFFFAOYSA-N	-1	3	394.430	5.950	50	30		GKEAHM
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(Br)cc2)c([O-])c1	ZINC000013121705	209234953	/nfs/dbraw/zinc/23/49/53/209234953.db2.gz	UKIPBKJEMUBHFG-UHFFFAOYSA-N	-1	3	385.261	5.167	50	30		GKEAHM
CCCCCCCCCn1c2ccccc2nc1NCc1cc(Cl)ccc1[O-]	ZINC000001832475	212256664	/nfs/dbraw/zinc/25/66/64/212256664.db2.gz	ZYOMVMSPRQITJN-UHFFFAOYSA-N	-1	3	399.966	6.758	50	30		GKEAHM
CCOc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4[O-])ccc3o2)cc1	ZINC000001511736	212249123	/nfs/dbraw/zinc/24/91/23/212249123.db2.gz	VPLNNRDOXFMMCD-ZMOGYAJESA-N	-1	3	392.842	6.003	50	30		GKEAHM
C=CCOc1cccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])c1	ZINC000015015710	212099778	/nfs/dbraw/zinc/09/97/78/212099778.db2.gz	PUKGHUXPNZRMAT-QHCPKHFHSA-N	-1	3	397.478	5.410	50	30		GKEAHM
O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000009015465	204297605	/nfs/dbraw/zinc/29/76/05/204297605.db2.gz	ZSELYWTVVTWEEM-HXUWFJFHSA-N	-1	3	389.838	5.123	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3o2)c1	ZINC000001444099	206381927	/nfs/dbraw/zinc/38/19/27/206381927.db2.gz	JFADEUPFTLKRSO-FOKLQQMPSA-N	-1	3	383.234	6.258	50	30		GKEAHM
CC(C)(C)c1ccc([O-])c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1	ZINC000001948868	206394874	/nfs/dbraw/zinc/39/48/74/206394874.db2.gz	CHUWFMAMRVSWRU-CVKSISIWSA-N	-1	3	393.914	6.390	50	30		GKEAHM
O=C(NCc1ccccc1)c1c(/N=C/c2ccc([O-])cc2)sc2c1CCCC2	ZINC000018154589	207093621	/nfs/dbraw/zinc/09/36/21/207093621.db2.gz	VOKMILHCLAZPNO-MFKUBSTISA-N	-1	3	390.508	5.013	50	30		GKEAHM
COc1ccc([C@H](CC/N=C/c2ccccc2[O-])[C@@H]2CCOC(C)(C)C2)cc1	ZINC000100340399	533177880	/nfs/dbraw/zinc/17/78/80/533177880.db2.gz	MFJRMYNIXYXNOJ-GPEALGBWSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OCC)c([O-])c1	ZINC000008969254	221065427	/nfs/dbraw/zinc/06/54/27/221065427.db2.gz	RNNRDHHGJUKRJF-UHFFFAOYSA-N	-1	3	380.444	5.237	50	30		GKEAHM
CC(C)(C)c1cc(/N=C/c2cc3ccccc3[n-]c2=S)c(O)c(C(C)(C)C)c1	ZINC000100802860	518990230	/nfs/dbraw/zinc/99/02/30/518990230.db2.gz	INDJULBHRRJPIU-AFUMVMLFSA-N	-1	3	392.568	6.949	50	30		GKEAHM
CC(=O)C(Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C(C)[O-]	ZINC000100090642	519353185	/nfs/dbraw/zinc/35/31/85/519353185.db2.gz	NWBKGYDCPMJLKQ-SFQUDFHCSA-N	-1	3	385.876	5.058	50	30		GKEAHM
CC(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3o2)cc1	ZINC000098086881	519833930	/nfs/dbraw/zinc/83/39/30/519833930.db2.gz	LLYSBXFWDOQXAL-DHRITJCHSA-N	-1	3	390.870	6.728	50	30		GKEAHM
CCCCCCCCC/C(=N\[O-])c1ccc(OCCCCCCCC)cc1O	ZINC000100166363	519975577	/nfs/dbraw/zinc/97/55/77/519975577.db2.gz	UKRASVYZKQFYMZ-WJTDDFOZSA-N	-1	3	391.596	7.451	50	30		GKEAHM
CCCCCCCCCCCCCCCC(=O)[N-]c1nc(=S)ss1	ZINC000095660891	519990338	/nfs/dbraw/zinc/99/03/38/519990338.db2.gz	GWOCMAWYAOFFCB-UHFFFAOYSA-N	-1	3	388.668	7.354	50	30		GKEAHM
CCCCCCCCCCCCCCCc1cc(=O)n(CCN(CC)CC)[n-]1	ZINC000100854427	519990815	/nfs/dbraw/zinc/99/08/15/519990815.db2.gz	XXDFFKVMSXTAPC-UHFFFAOYSA-N	-1	3	393.660	6.398	50	30		GKEAHM
CCCCCCCCCCCCCCCCOc1ccccc1/C(C)=N\[O-]	ZINC000102313753	520001815	/nfs/dbraw/zinc/00/18/15/520001815.db2.gz	LAQKEBRZSVPZLB-LVWGJNHUSA-N	-1	3	375.597	7.745	50	30		GKEAHM
CCCOc1ccc(/C(CCC/C(=N/O)c2ccc(OCCC)cc2)=N\[O-])cc1	ZINC000004611474	520318909	/nfs/dbraw/zinc/31/89/09/520318909.db2.gz	ZHCGXFOZYZYWBD-HKOLQMFGSA-N	-1	3	398.503	5.491	50	30		GKEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2	ZINC000013656145	520740231	/nfs/dbraw/zinc/74/02/31/520740231.db2.gz	KJOWMCRJECNNEU-ZDLGFXPLSA-N	-1	3	392.282	5.157	50	30		GKEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2	ZINC000020647001	520741411	/nfs/dbraw/zinc/74/14/11/520741411.db2.gz	RYHCFSDZDNDOIE-NVMNQCDNSA-N	-1	3	392.282	5.157	50	30		GKEAHM
CCOc1ccc(/C(CCCC/C(=N\O)c2ccc(OCC)cc2)=N/[O-])cc1	ZINC000013550784	520842922	/nfs/dbraw/zinc/84/29/22/520842922.db2.gz	JXCQTUNFQOMDCS-MBALSZOMSA-N	-1	3	384.476	5.101	50	30		GKEAHM
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2sccc2C)ccc1[O-]	ZINC000027531944	521906091	/nfs/dbraw/zinc/90/60/91/521906091.db2.gz	DWUUYZVFPNMFLR-WSDLNYQXSA-N	-1	3	377.469	5.144	50	30		GKEAHM
COc1cc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cc(Cl)c1[O-]	ZINC000032639089	521937184	/nfs/dbraw/zinc/93/71/84/521937184.db2.gz	RACFHEJVQMFMKF-IZZDOVSWSA-N	-1	3	385.891	5.331	50	30		GKEAHM
CC[C@@]1(C)C[C@@](CC/N=C/c2ccccc2[O-])(c2ccccc2OC)CCO1	ZINC000100576220	523725919	/nfs/dbraw/zinc/72/59/19/523725919.db2.gz	XTRWYLUNPNUULW-XFIYODHJSA-N	-1	3	381.516	5.127	50	30		GKEAHM
Cc1ccc2oc(-c3ccc(/N=C/c4c([O-])ccc5ccccc54)c(C)c3)nc2c1	ZINC000100517865	524085673	/nfs/dbraw/zinc/08/56/73/524085673.db2.gz	SIWQLWBWQODIMY-JFLMPSFJSA-N	-1	3	392.458	6.721	50	30		GKEAHM
Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4[O-])c3)nc2c1	ZINC000100503078	524085934	/nfs/dbraw/zinc/08/59/34/524085934.db2.gz	OAMFHAAAHPANMS-WYMPLXKRSA-N	-1	3	376.843	6.221	50	30		GKEAHM
C[C@H](C(=O)Nc1cccc(/N=C/c2c([O-])ccc3ccccc32)c1)c1ccccc1	ZINC000100013360	526152908	/nfs/dbraw/zinc/15/29/08/526152908.db2.gz	HQSSEGBEYORUBY-CICSQNLLSA-N	-1	3	394.474	6.038	50	30	in-vitro	GKEAHM
Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4[O-])c3)oc2c1	ZINC000100503047	526241035	/nfs/dbraw/zinc/24/10/35/526241035.db2.gz	CKJJFTYSIJWOOM-WYMPLXKRSA-N	-1	3	376.843	6.221	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N\c1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000017185728	526354853	/nfs/dbraw/zinc/35/48/53/526354853.db2.gz	HOGBVHJKILMIRU-MXAYSNPKSA-N	-1	3	388.536	6.220	50	30		GKEAHM
O=C(Nc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1Cl)c1ccco1	ZINC000102417310	527153314	/nfs/dbraw/zinc/15/33/14/527153314.db2.gz	VCQKTJXHDKVIKX-ZMOGYAJESA-N	-1	3	390.826	5.795	50	30		GKEAHM
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1Cl)c1ccco1	ZINC000102417318	527154118	/nfs/dbraw/zinc/15/41/18/527154118.db2.gz	USJXYWRTFHSORP-UFFVCSGVSA-N	-1	3	375.211	5.295	50	30		GKEAHM
O=[N+]([O-])c1cccc(-c2csc(N=NCc3c([O-])ccc4ccccc43)n2)c1	ZINC000003961708	527383735	/nfs/dbraw/zinc/38/37/35/527383735.db2.gz	GCKJJHBTLOYQOC-SRZZPIQSSA-N	-1	3	390.424	5.023	50	30		GKEAHM
O=c1c(C=N[N-]c2nc(-c3ccccc3)cs2)coc2ccc(Cl)cc12	ZINC000068734575	527448717	/nfs/dbraw/zinc/44/87/17/527448717.db2.gz	PXYDECRSTWPRFB-ZVBGSRNCSA-N	-1	3	381.844	5.016	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000018043153	527630525	/nfs/dbraw/zinc/63/05/25/527630525.db2.gz	AIXXTYSNQRMLAS-UUFSLDAJSA-N	-1	3	399.421	5.008	50	30		GKEAHM
[O-]c1ccccc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1	ZINC000001814509	570269019	/nfs/dbraw/zinc/26/90/19/570269019.db2.gz	GIAJVSBDOKBTML-VULFUBBASA-N	-1	3	398.849	6.758	50	30		GKEAHM
CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4[O-])ccc3o2)cc1	ZINC000000705527	570296216	/nfs/dbraw/zinc/29/62/16/570296216.db2.gz	YZQYTWDVXHSQKB-ZMOGYAJESA-N	-1	3	391.858	5.670	50	30		GKEAHM
Cc1ccc2[nH]c(-c3cc(N=Cc4ccc(Cl)cc4Cl)ccc3[O-])nc2c1	ZINC000003112956	570319230	/nfs/dbraw/zinc/31/92/30/570319230.db2.gz	BZKOVINPQKXWNG-BHGWPJFGSA-N	-1	3	396.277	6.301	50	30		GKEAHM
Cc1ccc2nc(-c3cc(N=Cc4ccc(Cl)cc4Cl)ccc3[O-])[nH]c2c1	ZINC000003112956	570319233	/nfs/dbraw/zinc/31/92/33/570319233.db2.gz	BZKOVINPQKXWNG-BHGWPJFGSA-N	-1	3	396.277	6.301	50	30		GKEAHM
[O-]c1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1	ZINC000003113157	570327346	/nfs/dbraw/zinc/32/73/46/570327346.db2.gz	IWJJWPATVHHGBV-FOKLQQMPSA-N	-1	3	383.234	6.258	50	30		GKEAHM
Cc1ccc2nc(-c3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3)oc2c1	ZINC000003162589	570331103	/nfs/dbraw/zinc/33/11/03/570331103.db2.gz	MQOGMNHUEWWPDJ-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
Cc1ccc(C)c(/N=C/c2c3c(cc(C(C)(C)C)c2[O-])oc2c3CCCC2)c1	ZINC000001815720	570436180	/nfs/dbraw/zinc/43/61/80/570436180.db2.gz	KKEGJHWIFXRUBC-VULFUBBASA-N	-1	3	375.512	6.682	50	30		GKEAHM
[O-]c1ccccc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000001878410	570438362	/nfs/dbraw/zinc/43/83/62/570438362.db2.gz	NFORBZZGROVSLC-FOKLQQMPSA-N	-1	3	383.234	6.258	50	30		GKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000005595809	570448328	/nfs/dbraw/zinc/44/83/28/570448328.db2.gz	QVYLNTRNTNXHGH-QFIPXVFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C)c2)cc1	ZINC000005595809	570448330	/nfs/dbraw/zinc/44/83/30/570448330.db2.gz	QVYLNTRNTNXHGH-QFIPXVFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
Cc1cccc2oc(-c3cccc(/N=C/c4c([O-])ccc5ccccc54)c3)nc21	ZINC000003114276	570462913	/nfs/dbraw/zinc/46/29/13/570462913.db2.gz	UZPUWZDACVJTBS-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
C[C@@H]1CCc2sc([N-]C(=O)c3sc4ccccc4c3Cl)c(C#N)c2C1	ZINC000005193544	570499624	/nfs/dbraw/zinc/49/96/24/570499624.db2.gz	HQESKPKTNOQWLT-SNVBAGLBSA-N	-1	3	386.929	5.865	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(OCc2ccccc2)cc1	ZINC000044835826	570634048	/nfs/dbraw/zinc/63/40/48/570634048.db2.gz	FLZRFOZUCXWEFW-LPYMAVHISA-N	-1	3	382.257	5.484	50	30		GKEAHM
COc1cccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4[O-])ccc3o2)c1	ZINC000000859626	570663820	/nfs/dbraw/zinc/66/38/20/570663820.db2.gz	ISQWMERJYVAWAZ-FSJBWODESA-N	-1	3	378.815	5.613	50	30		GKEAHM
O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl	ZINC000013564515	570758731	/nfs/dbraw/zinc/75/87/31/570758731.db2.gz	LPFXTJFIRLVDEP-CYBMUJFWSA-N	-1	3	385.703	5.109	50	30	aggregator	GKEAHM
O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2[O-])c1)c1cccc(Cl)c1	ZINC000004676093	570822356	/nfs/dbraw/zinc/82/23/56/570822356.db2.gz	VRPLBICEISQSRN-FSJBWODESA-N	-1	3	385.250	5.702	50	30		GKEAHM
Cc1nnc(Sc2nc(-c3cccs3)c(-c3cccs3)[n-]2)c(C#N)c1C	ZINC000012525173	570829934	/nfs/dbraw/zinc/82/99/34/570829934.db2.gz	XOXVMWOBCPFBIN-UHFFFAOYSA-N	-1	3	395.538	5.296	50	30		GKEAHM
CCOC(=O)c1c(N=Cc2c([O-])ccc3ccccc32)sc2c1CCCC2	ZINC000252601442	571005719	/nfs/dbraw/zinc/00/57/19/571005719.db2.gz	FARFZLRGHSZJQP-UHFFFAOYSA-N	-1	3	379.481	5.413	50	30		GKEAHM
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc(Cl)ccc1[O-]	ZINC000252609374	571009552	/nfs/dbraw/zinc/00/95/52/571009552.db2.gz	HSSJBYZBZFVZRF-UHFFFAOYSA-N	-1	3	397.261	6.566	50	30		GKEAHM
[O-]c1ccccc1C=Nc1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000252617739	571019341	/nfs/dbraw/zinc/01/93/41/571019341.db2.gz	KZEFGYDDROEZOH-UHFFFAOYSA-N	-1	3	393.240	5.714	50	30		GKEAHM
[O-]c1ccc(Br)cc1C=NN=C(c1ccccc1)c1ccccc1	ZINC000252620367	571026735	/nfs/dbraw/zinc/02/67/35/571026735.db2.gz	MCRAMGCIBYYDPI-UHFFFAOYSA-N	-1	3	379.257	5.026	50	30		GKEAHM
Cc1ccc2nc(-c3ccc(C)c(N=Cc4c([O-])ccc5ccccc54)c3)oc2c1	ZINC000252624175	571037830	/nfs/dbraw/zinc/03/78/30/571037830.db2.gz	PIJAOBPZOLLLBO-UHFFFAOYSA-N	-1	3	392.458	6.721	50	30		GKEAHM
[O-]c1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1	ZINC000002188330	209350389	/nfs/dbraw/zinc/35/03/89/209350389.db2.gz	SKNAOBAPWSKIAR-BRJLIKDPSA-N	-1	3	391.776	6.607	50	30		GKEAHM
COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1[O-]	ZINC000000973707	209284347	/nfs/dbraw/zinc/28/43/47/209284347.db2.gz	BNEXHICVPXWYLE-WYMPLXKRSA-N	-1	3	392.842	5.921	50	30		GKEAHM
N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)cc1	ZINC000033466726	209244716	/nfs/dbraw/zinc/24/47/16/209244716.db2.gz	KYWLNSAHDNVCQW-RIYZIHGNSA-N	-1	3	395.896	5.734	50	30		GKEAHM
CCOC(=O)c1c(C)c(C)sc1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1	ZINC000001194330	212228205	/nfs/dbraw/zinc/22/82/05/212228205.db2.gz	JWYUATFRQICXSO-FOKLQQMPSA-N	-1	3	397.496	5.623	50	30		GKEAHM
[O-]c1ccc2oc3c(c2c1/C=N/N(c1ccccc1)c1ccccc1)CCCC3	ZINC000004815249	204078428	/nfs/dbraw/zinc/07/84/28/204078428.db2.gz	TUECGFVBKUKEBR-YZSQISJMSA-N	-1	3	382.463	6.189	50	30		GKEAHM
O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\c1ccc(-c2ccccc2)cc1	ZINC000009053849	206294936	/nfs/dbraw/zinc/29/49/36/206294936.db2.gz	LDNQDRLZPSJHPZ-JLPGSUDCSA-N	-1	3	397.474	5.271	50	30		GKEAHM
CCOC(=O)c1c(/N=C/c2c([O-])ccc3ccccc32)sc2c1CCCC2	ZINC000000830891	206325522	/nfs/dbraw/zinc/32/55/22/206325522.db2.gz	FARFZLRGHSZJQP-YDZHTSKRSA-N	-1	3	379.481	5.413	50	30		GKEAHM
[O-]c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(O)c1	ZINC000001435152	206381561	/nfs/dbraw/zinc/38/15/61/206381561.db2.gz	QBLDBHYNQVDPKC-AUEPDCJTSA-N	-1	3	399.233	5.963	50	30		GKEAHM
[O-]c1cc(O)ccc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	ZINC000001435152	206381565	/nfs/dbraw/zinc/38/15/65/206381565.db2.gz	QBLDBHYNQVDPKC-AUEPDCJTSA-N	-1	3	399.233	5.963	50	30		GKEAHM
[O-]c1ccc(I)cc1/C=N/c1ccc(Cl)c(Cl)c1	ZINC000001434347	206382221	/nfs/dbraw/zinc/38/22/21/206382221.db2.gz	TUQGCBNGCLRYBI-REZTVBANSA-N	-1	3	392.023	5.054	50	30		GKEAHM
Cc1ccc2oc(-c3cccc(/N=C/c4c([O-])cc(C)c(Cl)c4C)c3)nc2c1	ZINC000003084974	206457585	/nfs/dbraw/zinc/45/75/85/206457585.db2.gz	UTFLVOAIQNAKBD-BRJLIKDPSA-N	-1	3	390.870	6.530	50	30		GKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3sc4ccccc4c3Cl)sc2C1	ZINC000004142036	220685315	/nfs/dbraw/zinc/68/53/15/220685315.db2.gz	CACJRWSEIGZIOI-JTQLQIEISA-N	-1	3	386.929	5.865	50	30		GKEAHM
CC(=O)N(c1nc(/C=C/C(=O)c2cccc([O-])c2)cs1)c1c(C)cccc1C	ZINC000012793768	221233069	/nfs/dbraw/zinc/23/30/69/221233069.db2.gz	BHMCLJPTUDFDEC-ZHACJKMWSA-N	-1	3	392.480	5.046	50	30		GKEAHM
CC(=O)N(c1nc(/C=C\C(=O)c2cccc([O-])c2)cs1)c1cccc(C)c1C	ZINC000096924530	519475792	/nfs/dbraw/zinc/47/57/92/519475792.db2.gz	OFDYKBSSDCYXDD-KHPPLWFESA-N	-1	3	392.480	5.046	50	30		GKEAHM
CCCCCCCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c([O-])c1	ZINC000100167329	520011683	/nfs/dbraw/zinc/01/16/83/520011683.db2.gz	ZGBVVXQGIYLOFZ-OCEACIFDSA-N	-1	3	397.559	6.919	50	30		GKEAHM
CCCCCCCCCCCCOc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1	ZINC000100167329	520011690	/nfs/dbraw/zinc/01/16/90/520011690.db2.gz	ZGBVVXQGIYLOFZ-OCEACIFDSA-N	-1	3	397.559	6.919	50	30		GKEAHM
CCCCCCCCCCCCO[N-]C(=O)Nc1ccc(Br)cc1	ZINC000100844551	520012094	/nfs/dbraw/zinc/01/20/94/520012094.db2.gz	LDZCABHHIICNPB-UHFFFAOYSA-N	-1	3	399.373	6.423	50	30		GKEAHM
CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc([O-])cc1	ZINC000100117613	520544553	/nfs/dbraw/zinc/54/45/53/520544553.db2.gz	TYWDNPGOYRSKMZ-NRILKJAUSA-N	-1	3	396.490	5.348	50	30		GKEAHM
CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc([O-])cc1	ZINC000100117618	520572411	/nfs/dbraw/zinc/57/24/11/520572411.db2.gz	TYWDNPGOYRSKMZ-OOVQCZTNSA-N	-1	3	396.490	5.348	50	30		GKEAHM
COc1cc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cc(Cl)c1[O-]	ZINC000096765733	521981097	/nfs/dbraw/zinc/98/10/97/521981097.db2.gz	RACFHEJVQMFMKF-WDZFZDKYSA-N	-1	3	385.891	5.331	50	30		GKEAHM
COc1cc(/N=C/c2ccccc2[O-])ccc1NC(=O)c1cc2ccccc2o1	ZINC000102422516	522014144	/nfs/dbraw/zinc/01/41/44/522014144.db2.gz	WMCKRAPVOQGZLC-ZVHZXABRSA-N	-1	3	386.407	5.150	50	30		GKEAHM
CC[C@]1(C)C[C@@](CC/N=C/c2ccccc2[O-])(c2ccccc2OC)CCO1	ZINC000100576218	523590478	/nfs/dbraw/zinc/59/04/78/523590478.db2.gz	XTRWYLUNPNUULW-LREFFXPHSA-N	-1	3	381.516	5.127	50	30		GKEAHM
CCc1ccc(-c2nc3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3o2)cc1	ZINC000098086894	523860945	/nfs/dbraw/zinc/86/09/45/523860945.db2.gz	FWLCVYGAFJONBP-JVWAILMASA-N	-1	3	392.458	6.667	50	30		GKEAHM
Cc1cccc(-c2nc3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3o2)c1	ZINC000102417500	524120316	/nfs/dbraw/zinc/12/03/16/524120316.db2.gz	SPSRNQMTWWXGLW-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
C[C@@H](C(=O)Nc1cccc(/N=C/c2c([O-])ccc3ccccc32)c1)c1ccccc1	ZINC000100013362	524268258	/nfs/dbraw/zinc/26/82/58/524268258.db2.gz	HQSSEGBEYORUBY-OVKKOYPGSA-N	-1	3	394.474	6.038	50	30	in-vitro	GKEAHM
COc1ccc([C@H](CC/N=C/c2ccccc2[O-])[C@H]2CCOC(C)(C)C2)cc1	ZINC000100744435	525349932	/nfs/dbraw/zinc/34/99/32/525349932.db2.gz	MFJRMYNIXYXNOJ-YXNQUENUSA-N	-1	3	381.516	5.199	50	30	biogenic	GKEAHM
Cc1ccc(-c2nc3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3o2)cc1	ZINC000102417466	525824325	/nfs/dbraw/zinc/82/43/25/525824325.db2.gz	JMFJNFNCODJXQR-CVKSISIWSA-N	-1	3	378.431	6.413	50	30		GKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000018059753	526027385	/nfs/dbraw/zinc/02/73/85/526027385.db2.gz	RAISSUUIJUCFNM-QFIPXVFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000018059753	526027394	/nfs/dbraw/zinc/02/73/94/526027394.db2.gz	RAISSUUIJUCFNM-QFIPXVFZSA-N	-1	3	383.447	5.086	50	30		GKEAHM
[O-]c1ccccc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000100508753	526370157	/nfs/dbraw/zinc/37/01/57/526370157.db2.gz	KZEFGYDDROEZOH-WSDLNYQXSA-N	-1	3	393.240	5.714	50	30		GKEAHM
O=C1c2c(nc3ccccc3c2-c2ccccc2)CO/C1=C\c1ccccc1[O-]	ZINC000096319351	527121478	/nfs/dbraw/zinc/12/14/78/527121478.db2.gz	UOOQRFRNJKYYGC-HMAPJEAMSA-N	-1	3	379.415	5.361	50	30		GKEAHM
[O-]/N=C(\CCCCCC/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000004836765	527586831	/nfs/dbraw/zinc/58/68/31/527586831.db2.gz	YPCAVKWZZNZNJE-BLVCXSLXSA-N	-1	3	393.314	6.391	50	30		GKEAHM
N#Cc1c(/N=C/c2ccc([O-])cc2O)oc(-c2ccccc2)c1-c1ccccc1	ZINC000001021375	570235632	/nfs/dbraw/zinc/23/56/32/570235632.db2.gz	NPCPFXOAANMGLI-CVKSISIWSA-N	-1	3	380.403	5.647	50	30		GKEAHM
C=CCOc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])c1	ZINC000015016644	570246822	/nfs/dbraw/zinc/24/68/22/570246822.db2.gz	PHPTWPMNDLTACF-QHCPKHFHSA-N	-1	3	397.478	5.410	50	30		GKEAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C=Cc3ccccc3)cc2)cc1	ZINC000005764283	570275848	/nfs/dbraw/zinc/27/58/48/570275848.db2.gz	AWMUPDPFDIRGCS-SXGWCWSVSA-N	-1	3	392.480	5.097	50	30		GKEAHM
COc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1[O-]	ZINC000003666077	570349955	/nfs/dbraw/zinc/34/99/55/570349955.db2.gz	MCBIJAYNLHBHFQ-JVWAILMASA-N	-1	3	394.430	5.950	50	30		GKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3noc4c3CCCCC4)sc2C1	ZINC000004881303	570354416	/nfs/dbraw/zinc/35/44/16/570354416.db2.gz	LFJDGOOGHKSHIG-ZDUSSCGKSA-N	-1	3	397.544	5.280	50	30		GKEAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccc(F)cc2)n1	ZINC000004481787	570377709	/nfs/dbraw/zinc/37/77/09/570377709.db2.gz	OJCPQZJGWODJJI-MFKUBSTISA-N	-1	3	384.414	5.101	50	30		GKEAHM
CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(/N=C\c3ccccc3[O-])cc2)n1	ZINC000004709947	570396786	/nfs/dbraw/zinc/39/67/86/570396786.db2.gz	OORYAJPEWOEINB-XYGWBWBKSA-N	-1	3	375.516	5.924	50	30		GKEAHM
Cc1cc2c(cc1C)N[C@@H](c1cc(Cl)ccc1[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000005068853	570410976	/nfs/dbraw/zinc/41/09/76/570410976.db2.gz	FRDVZSMIAMUOEJ-QFIPXVFZSA-N	-1	3	396.918	5.884	50	30		GKEAHM
Cc1ccccc1-c1nc2cc(/N=C/c3c([O-])cc(C)c(Cl)c3C)ccc2o1	ZINC000003113667	570426008	/nfs/dbraw/zinc/42/60/08/570426008.db2.gz	FEMSWWDMAOOFGO-BRJLIKDPSA-N	-1	3	390.870	6.530	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1	ZINC000001881337	570439055	/nfs/dbraw/zinc/43/90/55/570439055.db2.gz	ZBSDLCJYPZKZBN-VULFUBBASA-N	-1	3	398.849	6.758	50	30		GKEAHM
COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])cc1Cl	ZINC000001948863	570451001	/nfs/dbraw/zinc/45/10/01/570451001.db2.gz	ZMPGMJDVYLCEJJ-ZMOGYAJESA-N	-1	3	386.278	6.049	50	30		GKEAHM
COc1cc(Br)cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1[O-]	ZINC000005174211	570493013	/nfs/dbraw/zinc/49/30/13/570493013.db2.gz	PWFIVXIWSIHHLY-FSJBWODESA-N	-1	3	394.268	5.485	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(Cl)cc1C(F)(F)F	ZINC000044835898	570634027	/nfs/dbraw/zinc/63/40/27/570634027.db2.gz	GCPJONJCHYSPSV-IFRROFPPSA-N	-1	3	378.575	5.578	50	30		GKEAHM
CC(C)c1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1	ZINC000012348177	570645756	/nfs/dbraw/zinc/64/57/56/570645756.db2.gz	NDFSHBDIIVSQGX-OAQYLSRUSA-N	-1	3	399.494	5.266	50	30		GKEAHM
N#Cc1c([N-]C(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCC2	ZINC000003310428	570854847	/nfs/dbraw/zinc/85/48/47/570854847.db2.gz	JSNNPICKAQRVIQ-UHFFFAOYSA-N	-1	3	376.865	5.368	50	30		GKEAHM
Cc1ccc(Sc2oc(/C=N/c3ccccc3[O-])cc2Br)cc1	ZINC000015227511	570885960	/nfs/dbraw/zinc/88/59/60/570885960.db2.gz	NJCDQSBLTRMBDD-RGVLZGJSSA-N	-1	3	388.286	5.958	50	30		GKEAHM
O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cc(Cl)ccc1Cl	ZINC000017027299	570937741	/nfs/dbraw/zinc/93/77/41/570937741.db2.gz	FKAPFMWPJIJLTE-CQSZACIVSA-N	-1	3	385.703	5.109	50	30		GKEAHM
N#Cc1c([N-]C(=O)c2sc3cccc(F)c3c2Cl)sc2c1CCC2	ZINC000004750291	570957818	/nfs/dbraw/zinc/95/78/18/570957818.db2.gz	JVSIMMPCLKPEOQ-UHFFFAOYSA-N	-1	3	376.865	5.368	50	30		GKEAHM
CCN(CC)c1ccc(C=Nc2ccc(Br)c(Cl)c2)c([O-])c1	ZINC000252461670	570960513	/nfs/dbraw/zinc/96/05/13/570960513.db2.gz	NJOUARIADKLPQL-UHFFFAOYSA-N	-1	3	381.701	5.405	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000004756459	570966646	/nfs/dbraw/zinc/96/66/46/570966646.db2.gz	WUIAQBCOHLMKNA-OGLMXYFKSA-N	-1	3	381.519	6.764	50	30		GKEAHM
Cc1cc2nc(-c3cccc(/N=C/c4c([O-])ccc5ccccc54)c3)oc2cc1C	ZINC000003169491	570966838	/nfs/dbraw/zinc/96/68/38/570966838.db2.gz	NCXIUKFYGOSIBA-JFLMPSFJSA-N	-1	3	392.458	6.721	50	30		GKEAHM
COc1cc(Cl)cc(C=Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1[O-]	ZINC000252593854	571002822	/nfs/dbraw/zinc/00/28/22/571002822.db2.gz	BNEXHICVPXWYLE-UHFFFAOYSA-N	-1	3	392.842	5.921	50	30		GKEAHM
Cc1cc(-c2nc3ccccc3o2)ccc1N=Cc1c([O-])ccc2ccccc21	ZINC000252593619	571002875	/nfs/dbraw/zinc/00/28/75/571002875.db2.gz	BLBBOAILPDRKCB-UHFFFAOYSA-N	-1	3	378.431	6.413	50	30		GKEAHM
CCCc1sc(N=Cc2ccc3ccccc3c2[O-])c(C(=O)OCC)c1C	ZINC000252597524	571004153	/nfs/dbraw/zinc/00/41/53/571004153.db2.gz	CRXNZFFKUCXZBY-UHFFFAOYSA-N	-1	3	381.497	5.795	50	30		GKEAHM
O=C(NCc1ccccc1)c1c(N=Cc2cccc([O-])c2)sc2c1CCCC2	ZINC000252616862	571019119	/nfs/dbraw/zinc/01/91/19/571019119.db2.gz	KHGXOIFEMDHVGO-UHFFFAOYSA-N	-1	3	390.508	5.013	50	30		GKEAHM
Cc1ccc(-c2nc3cc(N=Cc4c([O-])cc(C)c(Cl)c4C)ccc3o2)cc1	ZINC000252619379	571022208	/nfs/dbraw/zinc/02/22/08/571022208.db2.gz	LOGDSDSXNCMBCJ-UHFFFAOYSA-N	-1	3	390.870	6.530	50	30		GKEAHM
CCOC(=O)c1c(N=Cc2c([O-])ccc3ccccc32)sc2c1CC[C@@H](C)C2	ZINC000252621766	571033467	/nfs/dbraw/zinc/03/34/67/571033467.db2.gz	NGHQBVPSTMZGGA-CQSZACIVSA-N	-1	3	393.508	5.659	50	30		GKEAHM
C=CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1	ZINC000005799005	571043873	/nfs/dbraw/zinc/04/38/73/571043873.db2.gz	VWEBPVNAMWIUPI-HSZRJFAPSA-N	-1	3	397.478	5.410	50	30		GKEAHM
N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCCC2	ZINC000002739239	209381159	/nfs/dbraw/zinc/38/11/59/209381159.db2.gz	OABACFMOGPNSJM-UHFFFAOYSA-N	-1	3	389.864	5.093	50	30		GKEAHM
Cc1onc(-c2ccccc2)c1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2	ZINC000002081445	209346378	/nfs/dbraw/zinc/34/63/78/209346378.db2.gz	NXKOYVAULDCALT-UHFFFAOYSA-N	-1	3	391.496	5.495	50	30		GKEAHM
Cc1cc2nc(-c3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3)oc2cc1C	ZINC000001878337	209341508	/nfs/dbraw/zinc/34/15/08/209341508.db2.gz	RKSVEPFFLQNHFH-JFLMPSFJSA-N	-1	3	392.458	6.721	50	30		GKEAHM
COc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3)nc2c1	ZINC000001512273	209331810	/nfs/dbraw/zinc/33/18/10/209331810.db2.gz	BQLCCORRKSIOBN-FSJBWODESA-N	-1	3	378.815	5.613	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1	ZINC000001027658	209290132	/nfs/dbraw/zinc/29/01/32/209290132.db2.gz	ADXBWSNQGSUCEE-WSDLNYQXSA-N	-1	3	393.240	5.714	50	30		GKEAHM
Cc1ccc(/N=C/c2cc(Br)ccc2[O-])c(C(=O)c2ccccc2)c1	ZINC000000977165	209285206	/nfs/dbraw/zinc/28/52/06/209285206.db2.gz	FBPIGPGDALKJFA-YDZHTSKRSA-N	-1	3	394.268	5.445	50	30		GKEAHM
Cc1ccc(/N=C/c2cc(C)cc(I)c2[O-])c(Cl)c1	ZINC000001433553	212245014	/nfs/dbraw/zinc/24/50/14/212245014.db2.gz	NPLLDLMSOBCEAW-QGMBQPNBSA-N	-1	3	385.632	5.018	50	30		GKEAHM
O=C(c1ccccc1)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000000668268	212170956	/nfs/dbraw/zinc/17/09/56/212170956.db2.gz	DOHRCNSKBVADNE-LPYMAVHISA-N	-1	3	380.241	5.136	50	30		GKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c([O-])c1	ZINC000096781098	212156447	/nfs/dbraw/zinc/15/64/47/212156447.db2.gz	AVGNSIGKRDWKBJ-UHFFFAOYSA-N	-1	3	399.288	5.475	50	30		GKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000004756460	204074882	/nfs/dbraw/zinc/07/48/82/204074882.db2.gz	OEYACBUMPGYUSA-CVKSISIWSA-N	-1	3	379.931	6.555	50	30		GKEAHM
COc1ccccc1-n1cnc2cc(/N=C/c3c([O-])ccc4ccccc43)ccc21	ZINC000004608218	204057278	/nfs/dbraw/zinc/05/72/78/204057278.db2.gz	POSJIMZXYPJRHP-CVKSISIWSA-N	-1	3	393.446	5.644	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000002055893	206397554	/nfs/dbraw/zinc/39/75/54/206397554.db2.gz	VYZASUVXCDEQFB-VULFUBBASA-N	-1	3	398.849	6.758	50	30		GKEAHM
Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000100931431	211393560	/nfs/dbraw/zinc/39/35/60/211393560.db2.gz	YYKHDPRJTTZFJF-CFRMEGHHSA-N	-1	3	380.366	5.010	50	30		GKEAHM
C[C@@H](NC(=O)c1ccccc1/N=C/c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000100001949	211381707	/nfs/dbraw/zinc/38/17/07/211381707.db2.gz	UXJFDYIHRJGPFS-OVKKOYPGSA-N	-1	3	394.474	5.787	50	30	in-vivo	GKEAHM
O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2[O-])c1)c1cc2ccccc2o1	ZINC000095482059	534323546	/nfs/dbraw/zinc/32/35/46/534323546.db2.gz	FVZPYKSXMAYDPZ-ZMOGYAJESA-N	-1	3	390.826	5.795	50	30		GKEAHM
CC(=O)N(c1nc(/C=C\C(=O)c2cccc([O-])c2)cs1)c1c(C)cccc1C	ZINC000096924532	519477170	/nfs/dbraw/zinc/47/71/70/519477170.db2.gz	BHMCLJPTUDFDEC-KHPPLWFESA-N	-1	3	392.480	5.046	50	30		GKEAHM
CCN(CC)c1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)c([O-])c1	ZINC000000669901	520882257	/nfs/dbraw/zinc/88/22/57/520882257.db2.gz	DCNSBLZLNKQIFF-KOEQRZSOSA-N	-1	3	387.483	5.241	50	30		GKEAHM
CCCc1sc(/N=C/c2ccc3ccccc3c2[O-])c(C(=O)OCC)c1C	ZINC000103762453	521612180	/nfs/dbraw/zinc/61/21/80/521612180.db2.gz	CRXNZFFKUCXZBY-YDZHTSKRSA-N	-1	3	381.497	5.795	50	30		GKEAHM
COc1cc(/C=C\C(=O)c2cccc3ccccc32)cc(Br)c1[O-]	ZINC000098053747	521984109	/nfs/dbraw/zinc/98/41/09/521984109.db2.gz	OBFVIIRXVKCJEY-KTKRTIGZSA-N	-1	3	383.241	5.213	50	30		GKEAHM
Cc1ccccc1NN=C(N=Nc1nc2ccccc2s1)c1ccccc1[O-]	ZINC000013600738	525041721	/nfs/dbraw/zinc/04/17/21/525041721.db2.gz	KLXUPQKIIDXUHO-SVTQBPDFSA-N	-1	3	387.468	5.290	50	30		GKEAHM
Cc1ccc(-c2csc(N=NCc3cc(Br)ccc3[O-])n2)cc1	ZINC000004551233	525781204	/nfs/dbraw/zinc/78/12/04/525781204.db2.gz	JYJATPAAPVRCEY-DJKKODMXSA-N	-1	3	388.290	5.033	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/CCSCc1ccccc1Cl	ZINC000004390638	526341006	/nfs/dbraw/zinc/34/10/06/526341006.db2.gz	LTGXKUSNHIZJEY-VXLYETTFSA-N	-1	3	384.726	5.160	50	30		GKEAHM
[O-]c1ccc2ccccc2c1CN=Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000005669520	526354785	/nfs/dbraw/zinc/35/47/85/526354785.db2.gz	CCTLUASXYPKCBH-SSDVNMTOSA-N	-1	3	379.872	5.768	50	30		GKEAHM
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]c1nnc(C2CC2)s1	ZINC000022738677	526572534	/nfs/dbraw/zinc/57/25/34/526572534.db2.gz	CMNIXVFGNVYJMD-UHFFFAOYSA-N	-1	3	376.894	5.137	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000016956352	527630063	/nfs/dbraw/zinc/63/00/63/527630063.db2.gz	AIXXTYSNQRMLAS-LJJIPZOBSA-N	-1	3	399.421	5.008	50	30		GKEAHM
Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4[O-])c(C)c3)nc2c1	ZINC000000725411	570220820	/nfs/dbraw/zinc/22/08/20/570220820.db2.gz	UHFVYVNPWLLVJB-WYMPLXKRSA-N	-1	3	376.843	6.221	50	30		GKEAHM
O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1ccccc1[O-]	ZINC000001470839	570236418	/nfs/dbraw/zinc/23/64/18/570236418.db2.gz	LNZUWJPUMJSHIF-LPYMAVHISA-N	-1	3	380.241	5.136	50	30		GKEAHM
O=c1oc2ccccc2cc1-c1cccc(/N=C/c2c([O-])ccc3ccccc32)c1	ZINC000002053264	570272566	/nfs/dbraw/zinc/27/25/66/570272566.db2.gz	UYXNUKGMKUPRCL-JVWAILMASA-N	-1	3	391.426	6.069	50	30		GKEAHM
[O-]c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1	ZINC000002832066	570305648	/nfs/dbraw/zinc/30/56/48/570305648.db2.gz	DWTLMIGAWJUELH-XUIWWLCJSA-N	-1	3	392.458	6.266	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1	ZINC000006188350	570318903	/nfs/dbraw/zinc/31/89/03/570318903.db2.gz	YRVXOSOINMTCFR-FQEVSTJZSA-N	-1	3	389.838	5.123	50	30		GKEAHM
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]c1nnc(C(C)C)s1	ZINC000022975461	570339687	/nfs/dbraw/zinc/33/96/87/570339687.db2.gz	WHSYIUXUKRXODP-UHFFFAOYSA-N	-1	3	378.910	5.383	50	30		GKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1	ZINC000005775797	570380301	/nfs/dbraw/zinc/38/03/01/570380301.db2.gz	QDCCZPQZONMYHG-JVWAILMASA-N	-1	3	390.442	6.618	50	30		GKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1	ZINC000006475793	570446425	/nfs/dbraw/zinc/44/64/25/570446425.db2.gz	YRVXOSOINMTCFR-HXUWFJFHSA-N	-1	3	389.838	5.123	50	30		GKEAHM
CCCCCCCCCCCCCCCCS(=O)(=O)c1nc(CCC)n[n-]1	ZINC000008443718	570532018	/nfs/dbraw/zinc/53/20/18/570532018.db2.gz	BNPRQPFWXMWPBR-UHFFFAOYSA-N	-1	3	399.645	6.012	50	30		GKEAHM
CCCCCCCCCCCCCCCCS(=O)(=O)c1nnc(CCC)[n-]1	ZINC000008443718	570532021	/nfs/dbraw/zinc/53/20/21/570532021.db2.gz	BNPRQPFWXMWPBR-UHFFFAOYSA-N	-1	3	399.645	6.012	50	30		GKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1	ZINC000044835894	570634079	/nfs/dbraw/zinc/63/40/79/570634079.db2.gz	BTIUQSZHFDKMJX-IFRROFPPSA-N	-1	3	378.575	5.578	50	30		GKEAHM
CCN(CC)c1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c([O-])c1	ZINC000004674874	570820862	/nfs/dbraw/zinc/82/08/62/570820862.db2.gz	BASRPXSFQNCJEB-PCLIKHOPSA-N	-1	3	384.483	5.304	50	30		GKEAHM
CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2[O-])cc1Cl	ZINC000004588780	570923437	/nfs/dbraw/zinc/92/34/37/570923437.db2.gz	DHHJZTZMNWYDDB-AWQFTUOYSA-N	-1	3	395.684	5.216	50	30		GKEAHM
Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(/N=C/c2cc(Cl)ccc2[O-])c1C	ZINC000004754165	570965201	/nfs/dbraw/zinc/96/52/01/570965201.db2.gz	QOBXNWOJNFIHCJ-MZJWZYIUSA-N	-1	3	393.958	6.881	50	30		GKEAHM
CC[C@]1(C)C[C@](CC/N=C/c2ccccc2[O-])(c2ccccc2OC)CCO1	ZINC000004805417	570995606	/nfs/dbraw/zinc/99/56/06/570995606.db2.gz	XTRWYLUNPNUULW-AGFIODOGSA-N	-1	3	381.516	5.127	50	30		GKEAHM
COc1cc(Cl)cc(C=Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1[O-]	ZINC000252606109	571007166	/nfs/dbraw/zinc/00/71/66/571007166.db2.gz	GPODWSRTIYOUFP-UHFFFAOYSA-N	-1	3	394.858	5.366	50	30		GKEAHM
CCOC(=O)c1c(N=Cc2ccc3ccccc3c2[O-])sc2c1CCCC2	ZINC000252607680	571007639	/nfs/dbraw/zinc/00/76/39/571007639.db2.gz	HDZXZNQBMRSFAP-UHFFFAOYSA-N	-1	3	379.481	5.413	50	30		GKEAHM
[O-]c1ccc(Cl)cc1C=Nc1cccc(N=Cc2cc(Cl)ccc2O)c1	ZINC000252621359	571033470	/nfs/dbraw/zinc/03/34/70/571033470.db2.gz	MWPIOVFIDAJAMO-UHFFFAOYSA-N	-1	3	385.250	5.906	50	30		GKEAHM
[O-]c1ccccc1C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000252624472	571037738	/nfs/dbraw/zinc/03/77/38/571037738.db2.gz	POLQHUZJDGSJPW-UHFFFAOYSA-N	-1	3	393.240	5.714	50	30		GKEAHM
O=c1c(C=N[N-]c2nc(-c3ccccc3)cs2)coc2ccc(Cl)cc12	ZINC000252624908	571038732	/nfs/dbraw/zinc/03/87/32/571038732.db2.gz	PXYDECRSTWPRFB-UHFFFAOYSA-N	-1	3	381.844	5.016	50	30		GKEAHM
O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cccc(Cl)c1Cl	ZINC000013564516	210068616	/nfs/dbraw/zinc/06/86/16/210068616.db2.gz	LPFXTJFIRLVDEP-ZDUSSCGKSA-N	-1	3	385.703	5.109	50	30	aggregator	GKEAHM