smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2Cl)cc1	ZINC000002321085	209355653	/nfs/dbraw/zinc/35/56/53/209355653.db2.gz	GOZRNYXAUHLSAG-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
S=c1[n-]nc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1ccc(Cl)cc1	ZINC000005626428	204143193	/nfs/dbraw/zinc/14/31/93/204143193.db2.gz	QQJCLGLEPLVBFZ-RGVLZGJSSA-N	-1	0	380.864	4.533	50	30		GJEARM
S=c1[n-]nc(-c2ccccc2Br)n1N=Cc1ccc(Cl)cc1	ZINC000006863831	204216015	/nfs/dbraw/zinc/21/60/15/204216015.db2.gz	HQKLWPIHPDZNDW-GIJQJNRQSA-N	-1	0	393.697	4.906	50	30		GJEARM
CCCCCCCCCCOC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1	ZINC000097996993	520022075	/nfs/dbraw/zinc/02/20/75/520022075.db2.gz	BRRSIJCTGHCSMS-UHFFFAOYSA-N	-1	0	377.481	4.787	50	30		GJEARM
CCCCCCCCn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21	ZINC000100710646	520048822	/nfs/dbraw/zinc/04/88/22/520048822.db2.gz	GCVRGTCBEKGITN-UHFFFAOYSA-N	-1	0	399.516	4.776	50	30		GJEARM
O=C([O-])c1ccc(NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	ZINC000005516441	526371979	/nfs/dbraw/zinc/37/19/79/526371979.db2.gz	LDDVZIKVICTNPY-DHRITJCHSA-N	-1	0	387.414	4.973	50	30		GJEARM
Cc1cc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1ccco1	ZINC000124776678	570443512	/nfs/dbraw/zinc/44/35/12/570443512.db2.gz	WADPEVDSOLHIBD-UFFVCSGVSA-N	-1	0	399.790	4.858	50	30		GJEARM
O=[N+]([O-])c1cc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)ccc1Cl	ZINC000005763067	570500517	/nfs/dbraw/zinc/50/05/17/570500517.db2.gz	XSZJFMUGNLHYOU-QGMBQPNBSA-N	-1	0	394.243	4.705	50	30		GJEARM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccccc1Br	ZINC000007709672	570761922	/nfs/dbraw/zinc/76/19/22/570761922.db2.gz	KZALVFWCSMYEOR-UHFFFAOYSA-N	-1	0	384.320	4.528	50	30		GJEARM
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])cc3)c2C)cc1	ZINC000013616239	570762958	/nfs/dbraw/zinc/76/29/58/570762958.db2.gz	PBLWMWSPQVROFO-ZVHZXABRSA-N	-1	0	390.439	4.720	50	30		GJEARM
CCc1ccc(-n2c(O)c(C=Nc3ccc(Cl)cc3)c(=O)[n-]c2=S)cc1	ZINC000101586189	570826958	/nfs/dbraw/zinc/82/69/58/570826958.db2.gz	RXPBSBVDLWFEOH-SRZZPIQSSA-N	-1	0	385.876	4.567	50	30		GJEARM
Cn1cc([C@H](C(=C([O-])c2ccccc2)[N+](=O)[O-])c2ccccc2)c2ccccc21	ZINC000004811528	570998551	/nfs/dbraw/zinc/99/85/51/570998551.db2.gz	JORDTLDEPAVWPU-DHIUTWEWSA-N	-1	0	384.435	4.838	50	30		GJEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2F)cc1	ZINC000006199514	209636869	/nfs/dbraw/zinc/63/68/69/209636869.db2.gz	HVTPDPHHXGFDMK-DJKKODMXSA-N	-1	0	391.269	4.700	50	30		GJEARM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Cl	ZINC000004664162	209507757	/nfs/dbraw/zinc/50/77/57/209507757.db2.gz	MXIMHBBTDFJEHV-UHFFFAOYSA-N	-1	0	378.767	4.761	50	30		GJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000002349032	209358648	/nfs/dbraw/zinc/35/86/48/209358648.db2.gz	NLRQUOZYFXVGBH-UDWIEESQSA-N	-1	0	381.461	4.696	50	30		GJEARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2	ZINC000100535646	211388593	/nfs/dbraw/zinc/38/85/93/211388593.db2.gz	UPMJTCVROVHQNY-BOPFTXTBSA-N	-1	0	396.903	4.870	50	30		GJEARM
CCCCCCCCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000097968965	520041125	/nfs/dbraw/zinc/04/11/25/520041125.db2.gz	DWEKWSAKQDDCFW-GHRIWEEISA-N	-1	0	391.489	4.547	50	30		GJEARM
O=C([O-])c1ccc(NN=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1	ZINC000004575719	526371889	/nfs/dbraw/zinc/37/18/89/526371889.db2.gz	DJZSZXWNCAOMDQ-YDZHTSKRSA-N	-1	0	394.814	4.703	50	30		GJEARM
O=C([O-])c1cccc(N=NC(=CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1	ZINC000004616594	526391011	/nfs/dbraw/zinc/39/10/11/526391011.db2.gz	KZAVLMSOEWEYFK-VWIJOZOXSA-N	-1	0	387.395	4.823	50	30		GJEARM
O=C1c2sc(-c3ccccc3)nc2CC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000097284861	527138178	/nfs/dbraw/zinc/13/81/78/527138178.db2.gz	WNVQPBBNLLBMFZ-UVTDQMKNSA-N	-1	0	378.409	4.636	50	30		GJEARM
O=C([O-])C(=O)/C(=C/c1ccc(-c2ccccc2F)o1)c1ccc2ccccc2n1	ZINC000032717084	527549615	/nfs/dbraw/zinc/54/96/15/527549615.db2.gz	SRVRJHMERTZCBJ-GHRIWEEISA-N	-1	0	387.366	4.828	50	30		GJEARM
N#CC(=C([O-])c1cc(-c2ccc(Cl)cc2)[nH]n1)c1nc2ccccc2s1	ZINC000040150569	570558604	/nfs/dbraw/zinc/55/86/04/570558604.db2.gz	MQFGOGJSEXQBNA-CYBMUJFWSA-N	-1	0	378.844	4.830	50	30		GJEARM
CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100939851	570781551	/nfs/dbraw/zinc/78/15/51/570781551.db2.gz	CNPPUOICQVEYAQ-DDRRTAJHSA-N	-1	0	386.860	4.662	50	30		GJEARM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2	ZINC000101148866	570816245	/nfs/dbraw/zinc/81/62/45/570816245.db2.gz	DPTLRVFMVKZVFI-XDHOZWIPSA-N	-1	0	390.512	4.834	50	30		GJEARM
Cc1[n-]n(-c2ncc(C(C)(C)C)s2)c(=O)c1N=Nc1ccc2ccccc2c1	ZINC000101478023	570824408	/nfs/dbraw/zinc/82/44/08/570824408.db2.gz	KEUKECXMDWTIGK-HKOYGPOVSA-N	-1	0	391.500	4.784	50	30		GJEARM
Cc1cc2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)oc2c(Br)c1	ZINC000096013398	211294538	/nfs/dbraw/zinc/29/45/38/211294538.db2.gz	HXUIOZPQCIBSQO-LBPRGKRZSA-N	-1	0	394.228	4.870	50	30		GJEARM
O=C([O-])c1cccc(N2C(=O)C[C@@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)c1	ZINC000002257498	136193452	/nfs/dbraw/zinc/19/34/52/136193452.db2.gz	DXYABYVYJGLWDU-KRWDZBQOSA-N	-1	0	395.842	4.566	50	30		GJEARM
C#CCOc1c(Cl)cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1OC	ZINC000010275664	518315851	/nfs/dbraw/zinc/31/58/51/518315851.db2.gz	LBJJOOBHOIEHFV-NTEUORMPSA-N	-1	0	397.814	4.517	50	30		GJEARM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OCC)cc2)cc1	ZINC000005892744	520322879	/nfs/dbraw/zinc/32/28/79/520322879.db2.gz	JPMWZVXADDEQFU-KGENOOAVSA-N	-1	0	382.489	4.677	50	30		GJEARM
CCCCOc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1	ZINC000006390441	520852449	/nfs/dbraw/zinc/85/24/49/520852449.db2.gz	MCHXEVIIGFCPIN-CYVLTUHYSA-N	-1	0	375.424	4.608	50	30		GJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(N(CC)CC)cc2)c1	ZINC000005793613	521312736	/nfs/dbraw/zinc/31/27/36/521312736.db2.gz	JTHXZAWQSKPVRH-PXLXIMEGSA-N	-1	0	395.532	4.735	50	30		GJEARM
COC(=O)c1ccccc1SC/C(=N\[O-])c1cc(Cl)sc1Cl	ZINC000100278383	522291559	/nfs/dbraw/zinc/29/15/59/522291559.db2.gz	SBAWMQBIRZCVFJ-LICLKQGHSA-N	-1	0	376.286	4.812	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C	ZINC000257347518	524122210	/nfs/dbraw/zinc/12/22/10/524122210.db2.gz	KDKHHTADLRSZAE-GFDJLBNKSA-N	-1	0	386.532	4.814	50	30		GJEARM
O=C([O-])c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)NC3=O)o2)c1	ZINC000015011756	526387607	/nfs/dbraw/zinc/38/76/07/526387607.db2.gz	XPTKJDQWLKNSED-LDADJPATSA-N	-1	0	390.420	4.536	50	30		GJEARM
C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000012343701	570236991	/nfs/dbraw/zinc/23/69/91/570236991.db2.gz	IHGNQRAIXOQTOO-OQLLNIDSSA-N	-1	0	389.816	4.521	50	30		GJEARM
CN(C)c1ccc([C@H](c2ccccc2)C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000001226285	570259191	/nfs/dbraw/zinc/25/91/91/570259191.db2.gz	HBGJYINZODNYJP-NRFANRHFSA-N	-1	0	383.447	4.776	50	30		GJEARM
C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(C(C)C)c3)cc2[n-]c1=S	ZINC000011868989	570441892	/nfs/dbraw/zinc/44/18/92/570441892.db2.gz	CHRABKCVKGWREB-UHFFFAOYSA-N	-1	0	379.485	4.621	50	30		GJEARM
CCCC(=O)[N-]C(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F	ZINC000003082556	570502257	/nfs/dbraw/zinc/50/22/57/570502257.db2.gz	IYKKRUYYIRMSMM-UHFFFAOYSA-N	-1	0	396.253	4.855	50	30		GJEARM
CCc1ncc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	ZINC000065046793	570658602	/nfs/dbraw/zinc/65/86/02/570658602.db2.gz	XLOLTUVVJCPQNE-SECBINFHSA-N	-1	0	381.404	4.824	50	30		GJEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2F)c1	ZINC000006174183	570914331	/nfs/dbraw/zinc/91/43/31/570914331.db2.gz	OBEWVALZHRDKRX-DJKKODMXSA-N	-1	0	391.269	4.700	50	30		GJEARM
CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000252597702	571004185	/nfs/dbraw/zinc/00/41/85/571004185.db2.gz	CTUKXPQQAYRHCQ-FQGQUVFJSA-N	-1	0	394.496	4.916	50	30		GJEARM
O=C(/C=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1	ZINC000004806585	204077422	/nfs/dbraw/zinc/07/74/22/204077422.db2.gz	AACRJIOLMWNRHJ-VOTSOKGWSA-N	-1	0	382.051	4.813	50	30		GJEARM
Fc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000006223327	204171244	/nfs/dbraw/zinc/17/12/44/204171244.db2.gz	DMLFBPNQGNSCHZ-GIJQJNRQSA-N	-1	0	383.290	4.772	50	30		GJEARM
C=CCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000230402769	518699511	/nfs/dbraw/zinc/69/95/11/518699511.db2.gz	UAOCBDJIBBTOBI-OAQYLSRUSA-N	-1	0	379.456	4.725	50	30		GJEARM
C=CCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000036914705	518701461	/nfs/dbraw/zinc/70/14/61/518701461.db2.gz	MRJFPZWLOJOINV-HSZRJFAPSA-N	-1	0	379.456	4.725	50	30	in-vitro	GJEARM
O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1	ZINC000102569090	526955666	/nfs/dbraw/zinc/95/56/66/526955666.db2.gz	MERQXSPVDVQJSL-LFVOPCPISA-N	-1	0	393.826	4.555	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1	ZINC000002358845	570284305	/nfs/dbraw/zinc/28/43/05/570284305.db2.gz	CIDAKVVBHFQRLI-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
O=C([O-])c1ccc(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1	ZINC000006926588	570499089	/nfs/dbraw/zinc/49/90/89/570499089.db2.gz	VETZHMLSASHEHM-HCBMXOAHSA-N	-1	0	396.271	4.786	50	30		GJEARM
O=C1c2ccccc2C/C1=C\c1cc(Br)c([O-])c(Br)c1	ZINC000006044763	570737729	/nfs/dbraw/zinc/73/77/29/570737729.db2.gz	XGEIVVMFYCCTLY-VZUCSPMQSA-N	-1	0	394.062	4.740	50	30		GJEARM
CCCCCOc1ccc(/C=C\C(=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000102791053	570863983	/nfs/dbraw/zinc/86/39/83/570863983.db2.gz	SCTDDJCKDIVSMC-KAMYIIQDSA-N	-1	0	378.424	4.964	50	30		GJEARM
CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c([O-])c(Cl)c2)C2=C1CCCC2=O	ZINC000000792204	570930028	/nfs/dbraw/zinc/93/00/28/570930028.db2.gz	MAKCJYYVYUORQQ-UHFFFAOYSA-N	-1	0	392.282	4.742	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000252461899	570960378	/nfs/dbraw/zinc/96/03/78/570960378.db2.gz	NZRSLHGKDZDXFQ-UHFFFAOYSA-N	-1	0	395.875	4.654	50	30		GJEARM
CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000252597703	571004396	/nfs/dbraw/zinc/00/43/96/571004396.db2.gz	CTUKXPQQAYRHCQ-RVNILFKFSA-N	-1	0	394.496	4.916	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000004978400	204098817	/nfs/dbraw/zinc/09/88/17/204098817.db2.gz	SDYMOGTYULAKBQ-LYBHJNIJSA-N	-1	0	389.484	4.618	50	30		GJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(F)(F)F)cc2)c1	ZINC000005900784	204157483	/nfs/dbraw/zinc/15/74/83/204157483.db2.gz	AKHMEJKNMRJGOR-SSDVNMTOSA-N	-1	0	392.406	4.907	50	30		GJEARM
S=c1[n-]nc(-c2cccc(Cl)c2)n1N=Cc1cccc(Br)c1	ZINC000006191552	204170305	/nfs/dbraw/zinc/17/03/05/204170305.db2.gz	AXUBXKDOEXEUIK-GIJQJNRQSA-N	-1	0	393.697	4.906	50	30		GJEARM
O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1	ZINC000005409284	204131079	/nfs/dbraw/zinc/13/10/79/204131079.db2.gz	LOCZGZQTVRRHNE-MRXNPFEDSA-N	-1	0	396.855	4.579	50	30		GJEARM
Cc1cc2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)oc2c(Br)c1	ZINC000096013397	211294230	/nfs/dbraw/zinc/29/42/30/211294230.db2.gz	HXUIOZPQCIBSQO-GFCCVEGCSA-N	-1	0	394.228	4.870	50	30		GJEARM
C=CCOc1ccc(/C=C(/Sc2nnc(-c3ccc(F)cc3)o2)C(=O)[O-])cc1	ZINC000006312955	519010603	/nfs/dbraw/zinc/01/06/03/519010603.db2.gz	KTPDSNUAAVNAJR-SFQUDFHCSA-N	-1	0	398.415	4.658	50	30		GJEARM
N#CCCn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(-c2ccccc2)n1	ZINC000008320932	526466344	/nfs/dbraw/zinc/46/63/44/526466344.db2.gz	XJCBFGZGYMHGMN-VAWYXSNFSA-N	-1	0	394.434	4.881	50	30		GJEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1SC(F)=C(C(F)(F)F)C(F)(F)F	ZINC000006184178	570316497	/nfs/dbraw/zinc/31/64/97/570316497.db2.gz	PVFAYUYNWUIUJN-UHFFFAOYSA-N	-1	0	386.292	4.872	50	30		GJEARM
O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1	ZINC000002955431	570319830	/nfs/dbraw/zinc/31/98/30/570319830.db2.gz	LOCZGZQTVRRHNE-INIZCTEOSA-N	-1	0	396.855	4.579	50	30		GJEARM
CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1cc(C)ccc1C	ZINC000004664495	570390857	/nfs/dbraw/zinc/39/08/57/570390857.db2.gz	LMMGAKGWRLPDEB-WBCKRXDOSA-N	-1	0	380.469	4.626	50	30		GJEARM
S=c1[n-]nc(-c2ccccc2Br)n1N=Cc1cccc(Cl)c1	ZINC000006884721	570498240	/nfs/dbraw/zinc/49/82/40/570498240.db2.gz	WSOHCVSXDTVXGX-GIJQJNRQSA-N	-1	0	393.697	4.906	50	30		GJEARM
O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1	ZINC000005763066	570500370	/nfs/dbraw/zinc/50/03/70/570500370.db2.gz	RBWAGTXAVBJGMX-QGMBQPNBSA-N	-1	0	394.243	4.705	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000012413060	570656573	/nfs/dbraw/zinc/65/65/73/570656573.db2.gz	SUWIVJBDKMXBJH-QJOMJCCJSA-N	-1	0	395.875	4.654	50	30		GJEARM
O=C(/C=C/c1cc(Br)cc2c1OCOC2)c1cc(Cl)ccc1[O-]	ZINC000004338140	570677379	/nfs/dbraw/zinc/67/73/79/570677379.db2.gz	IXMPFFGCRJCOJQ-HNQUOIGGSA-N	-1	0	395.636	4.571	50	30		GJEARM
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\c1ccc(/N=N/c2ccccc2)cc1	ZINC000012564027	570869295	/nfs/dbraw/zinc/86/92/95/570869295.db2.gz	BXJXSDDSKGCEDO-ALWLADFFSA-N	-1	0	394.456	4.694	50	30		GJEARM
N#Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1	ZINC000064796613	205195747	/nfs/dbraw/zinc/19/57/47/205195747.db2.gz	GMYULVAHUBBUCY-OAHLLOKOSA-N	-1	0	392.411	4.598	50	30		GJEARM
CCCCCCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000102970771	520042232	/nfs/dbraw/zinc/04/22/32/520042232.db2.gz	PSHPEIVUWDAVNP-FZNBYNMYSA-N	-1	0	384.472	4.654	50	30		GJEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000005793606	520813000	/nfs/dbraw/zinc/81/30/00/520813000.db2.gz	CELXXGPRZOKHBD-PXLXIMEGSA-N	-1	0	395.532	4.735	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000100507559	520899360	/nfs/dbraw/zinc/89/93/60/520899360.db2.gz	NZRSLHGKDZDXFQ-HAVVHWLPSA-N	-1	0	395.875	4.654	50	30		GJEARM
CCN1CCCc2cc(C=NNC(=S)[N-]c3ccccc3SC)ccc21	ZINC000003036791	521659785	/nfs/dbraw/zinc/65/97/85/521659785.db2.gz	PJOMGFXUTCAHRW-KGENOOAVSA-N	-1	0	384.574	4.502	50	30		GJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2c(OC)ccc3ccccc32)c1	ZINC000006007337	525718079	/nfs/dbraw/zinc/71/80/79/525718079.db2.gz	FTCGSPKGXGNYCH-LPYMAVHISA-N	-1	0	390.468	4.660	50	30		GJEARM
COc1cccc(/N=C(\[O-])Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1	ZINC000028048935	525776713	/nfs/dbraw/zinc/77/67/13/525776713.db2.gz	IRIQZTRUEDZVSJ-UHFFFAOYSA-N	-1	0	393.443	4.814	50	30		GJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)cn1	ZINC000086040675	526321890	/nfs/dbraw/zinc/32/18/90/526321890.db2.gz	BTAODXRBKUDXRF-FZSIALSZSA-N	-1	0	390.462	4.716	50	30		GJEARM
[O-]c1c(Br)cc(Cl)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000071759938	526323897	/nfs/dbraw/zinc/32/38/97/526323897.db2.gz	BOVJGEWEZDCKSC-IDUWFGFVSA-N	-1	0	382.670	4.864	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1	ZINC000002219889	570279502	/nfs/dbraw/zinc/27/95/02/570279502.db2.gz	JLQJTWPNVKIFMJ-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
O=C([O-])c1ccc(/C=C2\N=C(SCc3ccccc3Cl)SC2=O)cc1	ZINC000004914216	570417847	/nfs/dbraw/zinc/41/78/47/570417847.db2.gz	NBNKAYHAZYKZRY-DHDCSXOGSA-N	-1	0	389.885	4.942	50	30		GJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1	ZINC000001815905	570436217	/nfs/dbraw/zinc/43/62/17/570436217.db2.gz	NAGRYZAUKULADF-UHFFFAOYSA-N	-1	0	381.461	4.696	50	30		GJEARM
CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1	ZINC000005795431	570457473	/nfs/dbraw/zinc/45/74/73/570457473.db2.gz	QBXXOXNXMXNXPU-SSDVNMTOSA-N	-1	0	391.422	4.575	50	30		GJEARM
Cn1cc([C@@H](C(=C([O-])c2ccccc2)[N+](=O)[O-])c2ccccc2)c2ccccc21	ZINC000004811529	570998685	/nfs/dbraw/zinc/99/86/85/570998685.db2.gz	JORDTLDEPAVWPU-XZOQPEGZSA-N	-1	0	384.435	4.838	50	30		GJEARM
CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1cc(C)ccc1C	ZINC000252619109	571022011	/nfs/dbraw/zinc/02/20/11/571022011.db2.gz	LMMGAKGWRLPDEB-NLUKZUHQSA-N	-1	0	380.469	4.626	50	30		GJEARM
COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000006212347	204171445	/nfs/dbraw/zinc/17/14/45/204171445.db2.gz	XRTQDRZTEPTRGJ-LPYMAVHISA-N	-1	0	394.500	4.574	50	30		GJEARM
C=CCN(CC=C)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-]	ZINC000000677132	209166335	/nfs/dbraw/zinc/16/63/35/209166335.db2.gz	WDPJROPOSNKZOQ-UHFFFAOYSA-N	-1	0	383.058	4.813	50	30		GJEARM
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1COc1ccc(F)cc1	ZINC000006182181	523446645	/nfs/dbraw/zinc/44/66/45/523446645.db2.gz	CNZWUSBWCYBVPU-ZMOGYAJESA-N	-1	0	394.402	4.558	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC(=O)[C@@]21C	ZINC000257347720	524121463	/nfs/dbraw/zinc/12/14/63/524121463.db2.gz	RMEZJKHOZLUOHB-JWZDVEEZSA-N	-1	0	388.548	4.606	50	30		GJEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2sccc2-c2ccc(C)cc2)n1	ZINC000006607465	526426461	/nfs/dbraw/zinc/42/64/61/526426461.db2.gz	ISFBVTPWGPKCKM-MRXNPFEDSA-N	-1	0	396.493	4.522	50	30		GJEARM
CCc1cc(SCc2cccc(C(=O)[O-])c2)n2c3ccccc3nc2c1C#N	ZINC000012580959	570878211	/nfs/dbraw/zinc/87/82/11/570878211.db2.gz	YDYHCIJJEUDFTG-UHFFFAOYSA-N	-1	0	387.464	4.912	50	30		GJEARM
Cc1c(Cl)c(C)c(/C=N/c2ccc3c(c2)OCCO3)c([O-])c1Br	ZINC000001435244	571023725	/nfs/dbraw/zinc/02/37/25/571023725.db2.gz	MYPVFTVBAKDCNS-DNTJNYDQSA-N	-1	0	396.668	4.947	50	30		GJEARM
C(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc(OCc2ccccc2)cc1	ZINC000004577530	209499956	/nfs/dbraw/zinc/49/99/56/209499956.db2.gz	QMBYBDDKOYARPL-ZVHZXABRSA-N	-1	0	394.438	4.531	50	30		GJEARM
COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2[O-])cc(OC)c1OC	ZINC000004252548	209474014	/nfs/dbraw/zinc/47/40/14/209474014.db2.gz	YZNREFPFYQNUHV-SNAWJCMRSA-N	-1	0	383.227	4.621	50	30		GJEARM
Cc1cc(C)c(O)c(/N=C/c2cc(Br)cc(Br)c2[O-])c1	ZINC000001230713	209316225	/nfs/dbraw/zinc/31/62/25/209316225.db2.gz	MZJJVEDHWJYTAZ-CNHKJKLMSA-N	-1	0	399.082	4.990	50	30		GJEARM
COc1cccc(/C=N/OCc2ccccc2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000004743214	533389721	/nfs/dbraw/zinc/38/97/21/533389721.db2.gz	FFUSANWNZCHXBF-ZVHZXABRSA-N	-1	0	391.423	4.523	50	30		GJEARM
CCCCCCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000102970769	520041082	/nfs/dbraw/zinc/04/10/82/520041082.db2.gz	PSHPEIVUWDAVNP-YDYPUGOESA-N	-1	0	384.472	4.654	50	30		GJEARM
COc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)ccc1OCC#N	ZINC000033581403	521922632	/nfs/dbraw/zinc/92/26/32/521922632.db2.gz	DCCCLIJXBDEYEB-QINSGFPZSA-N	-1	0	394.452	4.613	50	30		GJEARM
COc1ccc(-c2ccc(/C=N/c3cc([N+](=O)[O-])cc(C)c3[O-])o2)c([N+](=O)[O-])c1	ZINC000102417411	523127019	/nfs/dbraw/zinc/12/70/19/523127019.db2.gz	BIXNZXMTNXPNHE-KEBDBYFISA-N	-1	0	397.343	4.536	50	30		GJEARM
COc1ccc(/C=N/c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000017429148	523454964	/nfs/dbraw/zinc/45/49/64/523454964.db2.gz	CFAGABLRFKUFRN-PXLXIMEGSA-N	-1	0	380.469	4.555	50	30		GJEARM
COc1ccc(C(=O)/C=C\c2ccc(SC)cc2)cc1CSCC(=O)[O-]	ZINC000033466723	523545242	/nfs/dbraw/zinc/54/52/42/523545242.db2.gz	DBYUJNMCGLDRLL-UITAMQMPSA-N	-1	0	388.510	4.631	50	30		GJEARM
Cc1cc(C)c(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C)c1	ZINC000095215267	524276572	/nfs/dbraw/zinc/27/65/72/524276572.db2.gz	UPDSLFVBZXWSED-WNAAXNPUSA-N	-1	0	382.467	4.831	50	30		GJEARM
COc1ccccc1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000100290656	524329394	/nfs/dbraw/zinc/32/93/94/524329394.db2.gz	PKHUGEJJWIJBJE-CAOOACKPSA-N	-1	0	385.055	4.676	50	30		GJEARM
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1	ZINC000001506216	570252436	/nfs/dbraw/zinc/25/24/36/570252436.db2.gz	XDBSXJHZEVOHEB-DNTJNYDQSA-N	-1	0	376.796	4.731	50	30		GJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/Cc1ccc(F)cc1	ZINC000100330923	570270939	/nfs/dbraw/zinc/27/09/39/570270939.db2.gz	RHOVHTSGPYTOHP-QGMBQPNBSA-N	-1	0	387.046	4.675	50	30		GJEARM
[O-]c1c(Br)cc(Cl)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000004610999	570387392	/nfs/dbraw/zinc/38/73/92/570387392.db2.gz	BOVJGEWEZDCKSC-REZTVBANSA-N	-1	0	382.670	4.864	50	30		GJEARM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)cc1	ZINC000006892433	570498510	/nfs/dbraw/zinc/49/85/10/570498510.db2.gz	UHZRGGSOLLHQDK-FYJGNVAPSA-N	-1	0	382.489	4.676	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000012413030	570656308	/nfs/dbraw/zinc/65/63/08/570656308.db2.gz	NZRSLHGKDZDXFQ-QJOMJCCJSA-N	-1	0	395.875	4.654	50	30		GJEARM
N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1	ZINC000006886191	570680460	/nfs/dbraw/zinc/68/04/60/570680460.db2.gz	QJTDDPTXXYDLLJ-UHFFFAOYSA-N	-1	0	384.844	4.805	50	30		GJEARM
C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000000981773	570742963	/nfs/dbraw/zinc/74/29/63/570742963.db2.gz	IHGNQRAIXOQTOO-DHDCSXOGSA-N	-1	0	389.816	4.521	50	30		GJEARM
COc1cc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c([O-])c([N+](=O)[O-])c1	ZINC000003162170	570795876	/nfs/dbraw/zinc/79/58/76/570795876.db2.gz	WNUKOMQXRPTQAQ-WSDLNYQXSA-N	-1	0	388.383	4.603	50	30		GJEARM
Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017077792	570926580	/nfs/dbraw/zinc/92/65/80/570926580.db2.gz	IXHRKUFRUZESTP-HOTGVXAUSA-N	-1	0	380.469	4.509	50	30		GJEARM
CCCCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1	ZINC000252617010	571018859	/nfs/dbraw/zinc/01/88/59/571018859.db2.gz	KKKKIVASUWCYSU-SPWCFMSMSA-N	-1	0	380.469	4.789	50	30		GJEARM
CCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1cc(C)ccc1C	ZINC000252619110	571022045	/nfs/dbraw/zinc/02/20/45/571022045.db2.gz	LMMGAKGWRLPDEB-NVGQKUQCSA-N	-1	0	380.469	4.626	50	30		GJEARM
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[C@H](C)CC(=O)[O-])sc2C1	ZINC000017077062	210201462	/nfs/dbraw/zinc/20/14/62/210201462.db2.gz	SLLIMDPWZIWDTH-QWHCGFSZSA-N	-1	0	376.522	4.600	50	30		GJEARM
COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)c1[O-]	ZINC000001091139	209299758	/nfs/dbraw/zinc/29/97/58/209299758.db2.gz	ZJEXLKFQADRTGR-AWQFTUOYSA-N	-1	0	391.290	4.726	50	30		GJEARM
O=C(Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1)c1cccc(Cl)c1	ZINC000004672454	204062184	/nfs/dbraw/zinc/06/21/84/204062184.db2.gz	YBBVRIRWCCSMIG-WSDLNYQXSA-N	-1	0	395.802	4.957	50	30		GJEARM
Cc1ccc(OCCCCSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1	ZINC000005238208	204120720	/nfs/dbraw/zinc/12/07/20/204120720.db2.gz	GZQQHUZMPVKGOS-UHFFFAOYSA-N	-1	0	391.496	4.568	50	30		GJEARM
CC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc2c3c(cccc31)CC2	ZINC000004996163	204101010	/nfs/dbraw/zinc/10/10/10/204101010.db2.gz	LANIFXHBLJPMOH-LGJNPRDNSA-N	-1	0	378.439	4.594	50	30		GJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1c(Cl)cccc1Cl	ZINC000006166194	204168157	/nfs/dbraw/zinc/16/81/57/204168157.db2.gz	ZLYOYZAVSNAXES-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)C=Cc2ccc(Cl)cc2)c1	ZINC000097152417	211360849	/nfs/dbraw/zinc/36/08/49/211360849.db2.gz	MPDFVMIDROTSIS-YFHOEESVSA-N	-1	0	386.860	4.555	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1C	ZINC000100150602	520899345	/nfs/dbraw/zinc/89/93/45/520899345.db2.gz	XXHXOCKSILGZGE-CLCOLTQESA-N	-1	0	389.484	4.618	50	30		GJEARM
COc1cc(/C=N/OCc2ccccc2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000005879815	521999821	/nfs/dbraw/zinc/99/98/21/521999821.db2.gz	NZTIBPAAFNQNHN-ZVHZXABRSA-N	-1	0	391.423	4.523	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000100346599	528152091	/nfs/dbraw/zinc/15/20/91/528152091.db2.gz	SDYMOGTYULAKBQ-CLCOLTQESA-N	-1	0	389.484	4.618	50	30		GJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1	ZINC000005624955	570448992	/nfs/dbraw/zinc/44/89/92/570448992.db2.gz	NAGRYZAUKULADF-UDWIEESQSA-N	-1	0	381.461	4.696	50	30		GJEARM
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C#N)C1	ZINC000005383710	570570535	/nfs/dbraw/zinc/57/05/35/570570535.db2.gz	KWCGJTBHOVISKH-SNPRPXQTSA-N	-1	0	388.533	4.600	50	30		GJEARM
CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])sc2C1	ZINC000239248048	570824267	/nfs/dbraw/zinc/82/42/67/570824267.db2.gz	XXZMGUWKZQIIBU-FVQBIDKESA-N	-1	0	386.517	4.520	50	30		GJEARM
O=C1Nc2ccccc2C1=N[N-]c1nc2ccc(Cl)cc2c(-c2ccccc2)n1	ZINC000016492461	570926507	/nfs/dbraw/zinc/92/65/07/570926507.db2.gz	RBENYKLUQZPWCN-UHFFFAOYSA-N	-1	0	399.841	4.719	50	30		GJEARM
CC(C)/N=C1\S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N1C(C)C	ZINC000004746581	570958235	/nfs/dbraw/zinc/95/82/35/570958235.db2.gz	SLNJCYBENSICPY-ZSMCLDEPSA-N	-1	0	398.484	4.734	50	30		GJEARM
O=C(c1ccccc1)c1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000004756466	570966627	/nfs/dbraw/zinc/96/66/27/570966627.db2.gz	DDIIOSAIQBYARS-WSDLNYQXSA-N	-1	0	380.787	4.935	50	30		GJEARM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000009048716	230870462	/nfs/dbraw/zinc/87/04/62/230870462.db2.gz	DXSLXACVFZASDT-UHFFFAOYSA-N	-1	0	388.448	4.968	50	30		GJEARM
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[C@H](C)CC(=O)[O-])sc2C1	ZINC000017077063	210201023	/nfs/dbraw/zinc/20/10/23/210201023.db2.gz	SLLIMDPWZIWDTH-STQMWFEESA-N	-1	0	376.522	4.600	50	30		GJEARM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000013000977	210044079	/nfs/dbraw/zinc/04/40/79/210044079.db2.gz	LDDPIZBSXRFESS-UHFFFAOYSA-N	-1	0	395.189	4.685	50	30		GJEARM
Cc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2[O-])o1	ZINC000004808366	209526833	/nfs/dbraw/zinc/52/68/33/209526833.db2.gz	ZCWFZYQIQZSECP-ONEGZZNKSA-N	-1	0	386.039	4.715	50	30		GJEARM
COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c1O	ZINC000001473670	209331370	/nfs/dbraw/zinc/33/13/70/209331370.db2.gz	BOBCNMVCIDGRBG-CIAFOILYSA-N	-1	0	382.489	4.502	50	30		GJEARM
C=CCN(CC=C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)coc21	ZINC000019791813	209176089	/nfs/dbraw/zinc/17/60/89/209176089.db2.gz	FYGZTVRORNSAOF-UHFFFAOYSA-N	-1	0	381.859	4.993	50	30	biogenic	GJEARM
O=C1Nc2ccccc2C1=N[N-]c1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000013774674	527091092	/nfs/dbraw/zinc/09/10/92/527091092.db2.gz	ACKJJXGHQOTISW-UHFFFAOYSA-N	-1	0	391.434	4.579	50	30		GJEARM
O=c1[n-]c(=S)[nH]nc1-c1ccccc1N=Cc1ccc(Cl)cc1Cl	ZINC000101373643	527435994	/nfs/dbraw/zinc/43/59/94/527435994.db2.gz	CBFFTXANIZNLIF-UFWORHAWSA-N	-1	0	377.256	4.552	50	30		GJEARM
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1	ZINC000012377794	527603566	/nfs/dbraw/zinc/60/35/66/527603566.db2.gz	ZZUFPRQNKLLNBI-TWGQIWQCSA-N	-1	0	398.821	4.713	50	30		GJEARM
CN(C)c1ccc([C@@H](c2ccccc2)C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000004946897	570419170	/nfs/dbraw/zinc/41/91/70/570419170.db2.gz	HBGJYINZODNYJP-OAQYLSRUSA-N	-1	0	383.447	4.776	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1	ZINC000006007013	570464112	/nfs/dbraw/zinc/46/41/12/570464112.db2.gz	NNCNSHNFEQCDKK-UFFVCSGVSA-N	-1	0	378.379	4.517	50	30		GJEARM
N#CCCn1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)c(-c2ccccc2)n1	ZINC000096792006	231001253	/nfs/dbraw/zinc/00/12/53/231001253.db2.gz	XJCBFGZGYMHGMN-QXMHVHEDSA-N	-1	0	394.434	4.881	50	30		GJEARM
CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])sc2C1	ZINC000017078959	210202848	/nfs/dbraw/zinc/20/28/48/210202848.db2.gz	XXZMGUWKZQIIBU-KBMXLJTQSA-N	-1	0	386.517	4.520	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2c(OC)ccc3ccccc32)cc1	ZINC000001473605	209330439	/nfs/dbraw/zinc/33/04/39/209330439.db2.gz	QYQAKNHNPNIZKW-LPYMAVHISA-N	-1	0	390.468	4.660	50	30		GJEARM
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1[O-]	ZINC000004142205	204028561	/nfs/dbraw/zinc/02/85/61/204028561.db2.gz	ZVAYFZMLYSAWBC-SSDVNMTOSA-N	-1	0	377.331	4.998	50	30		GJEARM
O=C(Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1)c1ccccc1	ZINC000004754990	204073693	/nfs/dbraw/zinc/07/36/93/204073693.db2.gz	PJVDNXYZMPIBSW-WSDLNYQXSA-N	-1	0	395.802	4.957	50	30		GJEARM
[O-]c1c(Br)cc(Cl)cc1C=NNc1cccc2cccnc21	ZINC000005006190	204102040	/nfs/dbraw/zinc/10/20/40/204102040.db2.gz	FNSSLIOIYLELSY-AWQFTUOYSA-N	-1	0	376.641	4.802	50	30		GJEARM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1OC	ZINC000009329950	525649954	/nfs/dbraw/zinc/64/99/54/525649954.db2.gz	MNLJNCKKSCPBDE-LPYMAVHISA-N	-1	0	390.468	4.660	50	30		GJEARM
COc1cccc(/N=C/c2cc(Br)cc(Br)c2[O-])c1	ZINC000086040696	525776869	/nfs/dbraw/zinc/77/68/69/525776869.db2.gz	RNTVJSCWZRFUPU-CAOOACKPSA-N	-1	0	385.055	4.676	50	30		GJEARM
O=C([O-])c1cc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)ccc1Cl	ZINC000018039863	526342614	/nfs/dbraw/zinc/34/26/14/526342614.db2.gz	FQMNHZAKZUAKIO-UFFVCSGVSA-N	-1	0	380.791	4.621	50	30		GJEARM
O=C(/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)s1)c1ccccc1	ZINC000059282014	527617803	/nfs/dbraw/zinc/61/78/03/527617803.db2.gz	QUQHWEDMWNOOHR-ZRDIBKRKSA-N	-1	0	387.457	4.584	50	30		GJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc([N+](=O)[O-])ccc1[O-]	ZINC000020350917	570252721	/nfs/dbraw/zinc/25/27/21/570252721.db2.gz	YVXMOOQAHMMSGK-HXUWFJFHSA-N	-1	0	379.416	4.522	50	30		GJEARM
Cc1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2ccc(Cl)cc2)cc1C	ZINC000002706836	570295670	/nfs/dbraw/zinc/29/56/70/570295670.db2.gz	UAFIJSSVPJBFNG-BUVRLJJBSA-N	-1	0	382.769	4.739	50	30		GJEARM
CC(C)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1	ZINC000005033940	570401933	/nfs/dbraw/zinc/40/19/33/570401933.db2.gz	IHLATHYGFOKHRA-CXSMVCKMSA-N	-1	0	380.469	4.742	50	30		GJEARM
Cc1ccc(-c2nc(SCC(=O)c3ccc(Cl)cc3)[n-]c(=O)c2C#N)cc1	ZINC000005818334	570732744	/nfs/dbraw/zinc/73/27/44/570732744.db2.gz	MEKWVWYCDOQCSS-UHFFFAOYSA-N	-1	0	395.871	4.658	50	30		GJEARM
CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])sc2C1	ZINC000239248049	570824309	/nfs/dbraw/zinc/82/43/09/570824309.db2.gz	XXZMGUWKZQIIBU-VNQPRFMTSA-N	-1	0	386.517	4.520	50	30		GJEARM
CCCCOc1ccc(CN=Nc2cc(C)nc(-c3ccccc3[O-])n2)cc1	ZINC000016134084	570914586	/nfs/dbraw/zinc/91/45/86/570914586.db2.gz	VJVNVBSOPJUHJQ-HZHRSRAPSA-N	-1	0	376.460	4.783	50	30		GJEARM
Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017078105	570926550	/nfs/dbraw/zinc/92/65/50/570926550.db2.gz	UEGJPDDXGXDPOY-CVEARBPZSA-N	-1	0	382.485	4.733	50	30		GJEARM
O=C(c1ccccc1)c1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000252608873	571009036	/nfs/dbraw/zinc/00/90/36/571009036.db2.gz	HONCCKCUFIMJGZ-UHFFFAOYSA-N	-1	0	380.787	4.935	50	30		GJEARM
CCCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1	ZINC000252617011	571018993	/nfs/dbraw/zinc/01/89/93/571018993.db2.gz	KKKKIVASUWCYSU-VSKAJUFSSA-N	-1	0	380.469	4.789	50	30		GJEARM
CN(CCO)c1ccc(C(F)(F)F)cc1N=Cc1c(O)ccc2ccccc21	ZINC000252623411	571034903	/nfs/dbraw/zinc/03/49/03/571034903.db2.gz	OQOBTCYQSSSBMI-UHFFFAOYSA-N	-1	0	388.389	4.743	50	30		GJEARM
CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])sc2C1	ZINC000017078957	210202582	/nfs/dbraw/zinc/20/25/82/210202582.db2.gz	XXZMGUWKZQIIBU-BMFZPTHFSA-N	-1	0	386.517	4.520	50	30		GJEARM
O=C(C(N=Nc1cccc(C(F)(F)F)c1)=C([O-])c1cccs1)C(F)(F)F	ZINC000015924087	210179780	/nfs/dbraw/zinc/17/97/80/210179780.db2.gz	SJDYPECYTUTZRX-KSEXSDGBSA-N	-1	0	394.296	4.549	50	30		GJEARM
O=C([O-])c1ccccc1NC1=C(Br)C(=O)C[C@@H](c2ccccc2)C1	ZINC000005224641	209581142	/nfs/dbraw/zinc/58/11/42/209581142.db2.gz	PWGOZHDEEAOQRO-ZDUSSCGKSA-N	-1	0	386.245	4.550	50	30		GJEARM
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\Cc2c(cccc2O)C1=O	ZINC000011336156	209190809	/nfs/dbraw/zinc/19/08/09/209190809.db2.gz	NSBDBFIDASSOOL-MHWRWJLKSA-N	-1	0	378.859	4.730	50	30		GJEARM
O=C([O-])c1cccc(N2C(=S)N=C(Nc3ccccc3)C23CCCCC3)c1	ZINC000005557034	204139860	/nfs/dbraw/zinc/13/98/60/204139860.db2.gz	XJSDIYGWAFKVCU-UHFFFAOYSA-N	-1	0	379.485	4.512	50	30		GJEARM
C=CCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1OC	ZINC000006840462	209143490	/nfs/dbraw/zinc/14/34/90/209143490.db2.gz	CDYKCUSGCQEUDU-RVDMUPIBSA-N	-1	0	381.453	4.885	50	30		GJEARM
Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017077793	205908276	/nfs/dbraw/zinc/90/82/76/205908276.db2.gz	IXHRKUFRUZESTP-HZPDHXFCSA-N	-1	0	380.469	4.509	50	30		GJEARM
C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2[n-]c1=S	ZINC000012610385	519161501	/nfs/dbraw/zinc/16/15/01/519161501.db2.gz	YCUHOVGPNZIGRR-UHFFFAOYSA-N	-1	0	393.512	4.795	50	30		GJEARM
CCCCCCCCCCCCCCCCS(=O)(=O)NCCC(=O)[O-]	ZINC000081952351	520000982	/nfs/dbraw/zinc/00/09/82/520000982.db2.gz	IRQUENHRICVCII-UHFFFAOYSA-N	-1	0	377.591	4.862	50	30		GJEARM
CCCCCCCCCCOC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000097994448	520021555	/nfs/dbraw/zinc/02/15/55/520021555.db2.gz	SNXBCETUUILUCX-UHFFFAOYSA-N	-1	0	377.481	4.787	50	30		GJEARM
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)[O-])c3)c2C)cc1	ZINC000012363621	521462390	/nfs/dbraw/zinc/46/23/90/521462390.db2.gz	XJWXCFHDVSXBIN-ZVHZXABRSA-N	-1	0	390.439	4.720	50	30		GJEARM
COc1ccc(C(=O)/C=C\c2ccccc2Cl)cc1CSCC(=O)[O-]	ZINC000096891488	523545319	/nfs/dbraw/zinc/54/53/19/523545319.db2.gz	ZPQKHPPTAZSSDT-VURMDHGXSA-N	-1	0	376.861	4.563	50	30		GJEARM
Cc1ccc(-c2ccc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)o2)c([N+](=O)[O-])c1	ZINC000005061290	525743637	/nfs/dbraw/zinc/74/36/37/525743637.db2.gz	PGNPQLCKAMKNMU-UFFVCSGVSA-N	-1	0	399.790	4.961	50	30		GJEARM
N#CCc1nn(-c2ccccc2)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1C#N	ZINC000095626599	526487334	/nfs/dbraw/zinc/48/73/34/526487334.db2.gz	QCNMYMKAGCXGHC-BHGWPJFGSA-N	-1	0	396.237	4.573	50	30		GJEARM
CCOC(=O)c1sc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c(C#N)c1C	ZINC000005460542	570600322	/nfs/dbraw/zinc/60/03/22/570600322.db2.gz	ABWZKQGPIQNCBF-IFRROFPPSA-N	-1	0	383.256	4.868	50	30		GJEARM
Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017078106	570926528	/nfs/dbraw/zinc/92/65/28/570926528.db2.gz	UEGJPDDXGXDPOY-HOTGVXAUSA-N	-1	0	382.485	4.733	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(C)c1	ZINC000008829665	204291000	/nfs/dbraw/zinc/29/10/00/204291000.db2.gz	WJIANKIZOSLBMK-CLCOLTQESA-N	-1	0	389.484	4.618	50	30		GJEARM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1	ZINC000065004776	205206170	/nfs/dbraw/zinc/20/61/70/205206170.db2.gz	TZCTVVPIRFIKHG-UHFFFAOYSA-N	-1	0	399.497	4.733	50	30		GJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(F)cc1F	ZINC000001508283	209330892	/nfs/dbraw/zinc/33/08/92/209330892.db2.gz	ACIZCSJAMHTHQM-NGYBGAFCSA-N	-1	0	391.009	4.946	50	30		GJEARM
CC(=Nc1ccc(Cl)cc1C)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000104081132	518471813	/nfs/dbraw/zinc/47/18/13/518471813.db2.gz	DGNSKQSFWOXPSA-CIAFOILYSA-N	-1	0	384.823	4.897	50	30		GJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2c(F)cccc2Cl)c1	ZINC000005900766	521313471	/nfs/dbraw/zinc/31/34/71/521313471.db2.gz	CYOYBOBOSLOHNU-KEBDBYFISA-N	-1	0	376.844	4.681	50	30		GJEARM
O=C([O-])c1ccc(-c2ccc(C(=O)/C=C\c3cnn(-c4ccccc4)c3)cc2)o1	ZINC000096891421	526359008	/nfs/dbraw/zinc/35/90/08/526359008.db2.gz	XKAMBHLEZGIDQH-WDZFZDKYSA-N	-1	0	384.391	4.727	50	30		GJEARM
O=C([O-])c1ccc(NN=Cc2cn(Cc3ccccc3F)c3ccccc23)cc1	ZINC000005487668	526372166	/nfs/dbraw/zinc/37/21/66/526372166.db2.gz	HJSYMFSLQFSSPA-DHRITJCHSA-N	-1	0	387.414	4.973	50	30		GJEARM
O=C([O-])CCn1cc(/C=C/C(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1	ZINC000005786105	527603368	/nfs/dbraw/zinc/60/33/68/527603368.db2.gz	HYMLXODFFHUXNP-BJMVGYQFSA-N	-1	0	398.821	4.713	50	30		GJEARM
Cc1ccc2cc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])ccc2n1	ZINC000000711205	570219279	/nfs/dbraw/zinc/21/92/79/570219279.db2.gz	QQVVMKFZFVSNQY-DJKKODMXSA-N	-1	0	386.205	4.670	50	30		GJEARM
Cc1ccc(C(=O)CSc2[n-]c(=O)cc(-c3cccs3)c2C#N)c(C)c1	ZINC000013817512	570698852	/nfs/dbraw/zinc/69/88/52/570698852.db2.gz	UGJFNJQYMIOJAA-UHFFFAOYSA-N	-1	0	380.494	4.979	50	30		GJEARM
CC(N=Nc1c(Cl)cc(Cl)cc1Cl)C(=N[O-])C(=O)Nc1ccccc1	ZINC000063591103	570750293	/nfs/dbraw/zinc/75/02/93/570750293.db2.gz	DJVLXJACVCBSDA-XFGNKMNKSA-N	-1	0	399.665	4.904	50	30		GJEARM
O=C([O-])c1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl	ZINC000005895210	570801743	/nfs/dbraw/zinc/80/17/43/570801743.db2.gz	XZOJQPAXWCPFDA-KEBDBYFISA-N	-1	0	385.763	4.652	50	30		GJEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(F)(F)F)cc2)cc1	ZINC000005900427	570802089	/nfs/dbraw/zinc/80/20/89/570802089.db2.gz	JREUSZCGDVCTIB-SSDVNMTOSA-N	-1	0	392.406	4.907	50	30		GJEARM
Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017077791	570926521	/nfs/dbraw/zinc/92/65/21/570926521.db2.gz	IXHRKUFRUZESTP-CVEARBPZSA-N	-1	0	380.469	4.509	50	30		GJEARM
COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c1	ZINC000002341851	209357717	/nfs/dbraw/zinc/35/77/17/209357717.db2.gz	IVJSVVUOPQTKMG-LPYMAVHISA-N	-1	0	396.516	4.805	50	30		GJEARM
Cc1cccc(NC2=NC(=S)N(c3ccc(C(=O)[O-])cc3)C23CCCCC3)c1	ZINC000000705463	203849383	/nfs/dbraw/zinc/84/93/83/203849383.db2.gz	WEPHCBUVIYTZPW-UHFFFAOYSA-N	-1	0	393.512	4.821	50	30		GJEARM
O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1	ZINC000004311972	204038463	/nfs/dbraw/zinc/03/84/63/204038463.db2.gz	PDEUWAYMCCRRNO-INIZCTEOSA-N	-1	0	396.855	4.579	50	30		GJEARM
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1	ZINC000005793610	204151738	/nfs/dbraw/zinc/15/17/38/204151738.db2.gz	ZORHXFJGMQUGNC-FYJGNVAPSA-N	-1	0	385.924	4.989	50	30		GJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc(Cl)c1Cl	ZINC000006166211	204168433	/nfs/dbraw/zinc/16/84/33/204168433.db2.gz	PBEWVRYLGJYDNZ-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c1	ZINC000008518206	204279660	/nfs/dbraw/zinc/27/96/60/204279660.db2.gz	GESBCGGYVWSSQN-UHFFFAOYSA-N	-1	0	384.844	4.805	50	30		GJEARM
CCCCCCCCCCCCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000070665767	519988090	/nfs/dbraw/zinc/98/80/90/519988090.db2.gz	ZXMNHEQMEIEJGC-YADHBBJMSA-N	-1	0	391.552	4.991	50	30	biogenic	GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000100512585	520898976	/nfs/dbraw/zinc/89/89/76/520898976.db2.gz	SUWIVJBDKMXBJH-HAVVHWLPSA-N	-1	0	395.875	4.654	50	30		GJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2c(O)ccc3ccccc32)c1	ZINC000001275135	521311964	/nfs/dbraw/zinc/31/19/64/521311964.db2.gz	JUXDGADARMMZHR-LPYMAVHISA-N	-1	0	390.468	4.747	50	30		GJEARM
[O-]C(c1cn2cc(-c3ccc(F)cc3)nc2s1)(C(F)(F)F)C(F)(F)F	ZINC000012558814	527504712	/nfs/dbraw/zinc/50/47/12/527504712.db2.gz	DZIRHNRLUBKLIT-UHFFFAOYSA-N	-1	0	384.276	4.514	50	30		GJEARM
O=C([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095681714	527572939	/nfs/dbraw/zinc/57/29/39/527572939.db2.gz	AAEJJSZYNKXKSW-UHFFFAOYSA-N	-1	0	392.111	4.590	50	30		GJEARM
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)o1	ZINC000000702754	570218687	/nfs/dbraw/zinc/21/86/87/570218687.db2.gz	VIVXHCAMNMMZOQ-GOSISDBHSA-N	-1	0	397.814	4.613	50	30		GJEARM
C=CCN1C(=O)/C(=C\c2c(Cl)cc(Cl)c([O-])c2Cl)SC1=S	ZINC000012343649	570236592	/nfs/dbraw/zinc/23/65/92/570236592.db2.gz	UJJTYOLGOBIOHM-RUDMXATFSA-N	-1	0	380.705	4.740	50	30		GJEARM
CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O	ZINC000002290592	570281162	/nfs/dbraw/zinc/28/11/62/570281162.db2.gz	YUDPVYVRXQCKJX-UHFFFAOYSA-N	-1	0	393.487	4.715	50	30		GJEARM
Cc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1C(=O)[O-]	ZINC000004738518	570399895	/nfs/dbraw/zinc/39/98/95/570399895.db2.gz	NEQAQVJKHPTAFU-BUVRLJJBSA-N	-1	0	390.439	4.540	50	30		GJEARM
COc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1Br	ZINC000005893748	570460730	/nfs/dbraw/zinc/46/07/30/570460730.db2.gz	BUIISBPREAAGCM-VCHYOVAHSA-N	-1	0	395.326	4.642	50	30		GJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2c(Cl)cccc2Cl)c1	ZINC000005932601	570462052	/nfs/dbraw/zinc/46/20/52/570462052.db2.gz	LOZWCLRHQKNHDA-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC(=O)[C@@]21C	ZINC000257359228	570786202	/nfs/dbraw/zinc/78/62/02/570786202.db2.gz	ZBOSYSDRXVXLAH-KGJNOIFKSA-N	-1	0	386.532	4.526	50	30		GJEARM
Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)c3cccc(C#N)c3)ccc2c1	ZINC000033113770	570812327	/nfs/dbraw/zinc/81/23/27/570812327.db2.gz	KYFIOLNBFPOQTC-UHFFFAOYSA-N	-1	0	399.475	4.883	50	30		GJEARM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000001254789	570950559	/nfs/dbraw/zinc/95/05/59/570950559.db2.gz	JSYBABSHGMOFDE-UHFFFAOYSA-N	-1	0	396.516	4.805	50	30		GJEARM
O=C(NC([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000002345295	209358592	/nfs/dbraw/zinc/35/85/92/209358592.db2.gz	DRKBJGGEVPYVGZ-UHFFFAOYSA-N	-1	0	398.253	4.628	50	30		GJEARM
C=C1C[C@@H](O)[C@H](/C=C/[C@@H](O)C(C)(C)CCCC)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027640100	203784716	/nfs/dbraw/zinc/78/47/16/203784716.db2.gz	WMLGLMGSFIXSGO-KTXJXPLISA-N	-1	0	378.553	4.874	50	30	in-man	GJEARM
CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000004699560	204065277	/nfs/dbraw/zinc/06/52/77/204065277.db2.gz	NERBRFOHAWNACN-IOOBXXAVSA-N	-1	0	378.453	4.565	50	30		GJEARM
CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000004949312	204095877	/nfs/dbraw/zinc/09/58/77/204095877.db2.gz	KWQYYTFOCZYWBC-JSDDMWTDSA-N	-1	0	386.860	4.662	50	30		GJEARM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1F	ZINC000005996357	204161953	/nfs/dbraw/zinc/16/19/53/204161953.db2.gz	IEXOWAUEILJTKD-WSDLNYQXSA-N	-1	0	378.432	4.791	50	30		GJEARM
C=CCn1c([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n[nH]c1=S	ZINC000005408165	209140440	/nfs/dbraw/zinc/14/04/40/209140440.db2.gz	LWEQEROUIGYVFW-ZDUSSCGKSA-N	-1	0	385.320	4.561	50	30		GJEARM
Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017078107	205909083	/nfs/dbraw/zinc/90/90/83/205909083.db2.gz	UEGJPDDXGXDPOY-HZPDHXFCSA-N	-1	0	382.485	4.733	50	30		GJEARM
O=C([O-])c1cccc(N2C(=O)C[C@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)c1	ZINC000002257497	136193370	/nfs/dbraw/zinc/19/33/70/136193370.db2.gz	DXYABYVYJGLWDU-QGZVFWFLSA-N	-1	0	395.842	4.566	50	30		GJEARM
C=CCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1OC	ZINC000033530650	519011314	/nfs/dbraw/zinc/01/13/14/519011314.db2.gz	CDYKCUSGCQEUDU-PTNGSMBKSA-N	-1	0	381.453	4.885	50	30		GJEARM
CCCCCCCCCCCCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O	ZINC000008424569	520009981	/nfs/dbraw/zinc/00/99/81/520009981.db2.gz	NJOUCLPXGMQWCR-UHFFFAOYSA-N	-1	0	386.536	4.813	50	30		GJEARM
CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1cccc(C(=O)[O-])c1	ZINC000100311164	521510713	/nfs/dbraw/zinc/51/07/13/521510713.db2.gz	KWQYYTFOCZYWBC-PMDYYOJLSA-N	-1	0	386.860	4.662	50	30		GJEARM
O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000013477801	527499940	/nfs/dbraw/zinc/49/99/40/527499940.db2.gz	VJIXRKTWQPKOFH-YDZHTSKRSA-N	-1	0	386.363	4.824	50	30		GJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000021238125	570289183	/nfs/dbraw/zinc/28/91/83/570289183.db2.gz	MQNDXWYIGMFIGE-HXUWFJFHSA-N	-1	0	379.416	4.522	50	30		GJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000021238131	570289333	/nfs/dbraw/zinc/28/93/33/570289333.db2.gz	MQNDXWYIGMFIGE-FQEVSTJZSA-N	-1	0	379.416	4.522	50	30		GJEARM
COc1cc(C)cc2c(C)c(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)oc21	ZINC000072310872	570537349	/nfs/dbraw/zinc/53/73/49/570537349.db2.gz	VQRCURCQCZCJCS-CQSZACIVSA-N	-1	0	388.345	4.962	50	30		GJEARM
CC(=Nc1cccc(Cl)c1C)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000101161187	570814899	/nfs/dbraw/zinc/81/48/99/570814899.db2.gz	YMJUJVPZLZJESJ-CIAFOILYSA-N	-1	0	384.823	4.897	50	30		GJEARM
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2C1	ZINC000017077060	570925743	/nfs/dbraw/zinc/92/57/43/570925743.db2.gz	SLLIMDPWZIWDTH-CHWSQXEVSA-N	-1	0	376.522	4.600	50	30		GJEARM
Cc1nc2cc(N=Cc3cccc([N+](=O)[O-])c3[O-])ccc2n1Cc1ccccc1	ZINC000252607641	571007599	/nfs/dbraw/zinc/00/75/99/571007599.db2.gz	HDISJIQXNHTUGC-UHFFFAOYSA-N	-1	0	386.411	4.757	50	30		GJEARM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccc(F)cc3)sc2C1	ZINC000002736823	209380706	/nfs/dbraw/zinc/38/07/06/209380706.db2.gz	HEYXUZVGAPQKKC-LBPRGKRZSA-N	-1	0	392.521	4.711	50	30		GJEARM
N#CCc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1	ZINC000001025144	209290210	/nfs/dbraw/zinc/29/02/10/209290210.db2.gz	MZSHFQNLTNJEDG-UHFFFAOYSA-N	-1	0	375.664	4.514	50	30		GJEARM
O=C([O-])c1cc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)ccc1Cl	ZINC000005017000	204104122	/nfs/dbraw/zinc/10/41/22/204104122.db2.gz	JUKFCCXSRMYFQR-KEBDBYFISA-N	-1	0	385.763	4.652	50	30		GJEARM
CC(=NNc1nnc2c3cc(C)ccc3nc-2[n-]1)c1ccc2c3c(cccc31)CC2	ZINC000004321992	518469286	/nfs/dbraw/zinc/46/92/86/518469286.db2.gz	FCTQJTRAHXFHKI-MZJWZYIUSA-N	-1	0	392.466	4.902	50	30		GJEARM
CCc1ccc2c(c1)C(=N[N-]c1nc(-c3ccc(C)cc3)c(C)s1)C(=O)N2	ZINC000013857158	524058788	/nfs/dbraw/zinc/05/87/88/524058788.db2.gz	VFJNULVXGBBZGA-UHFFFAOYSA-N	-1	0	376.485	4.758	50	30		GJEARM
O=c1c(N=Nc2ccc3ncsc3c2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000012603369	526949224	/nfs/dbraw/zinc/94/92/24/526949224.db2.gz	YWVMTOPYAHBJFX-DAFNUICNSA-N	-1	0	397.463	4.515	50	30		GJEARM
O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1	ZINC000102863559	526955601	/nfs/dbraw/zinc/95/56/01/526955601.db2.gz	GKDOMYIDFOUISZ-WOOAAIBNSA-N	-1	0	393.826	4.555	50	30		GJEARM
O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1Cl)c1ccco1	ZINC000102417296	527153261	/nfs/dbraw/zinc/15/32/61/527153261.db2.gz	WARSWWZHOZGIEZ-KEBDBYFISA-N	-1	0	385.763	4.550	50	30		GJEARM
O=C([O-])C(=O)/C(=C\c1ccc(-c2ccccc2F)o1)c1ccc2ccccc2n1	ZINC000096843596	527549580	/nfs/dbraw/zinc/54/95/80/527549580.db2.gz	SRVRJHMERTZCBJ-LGMDPLHJSA-N	-1	0	387.366	4.828	50	30		GJEARM
Cc1cccc(NC2=NC(=S)N(c3cccc(C(=O)[O-])c3)C23CCCCC3)c1	ZINC000000705468	570219052	/nfs/dbraw/zinc/21/90/52/570219052.db2.gz	BSZPWPLQUBUNRA-UHFFFAOYSA-N	-1	0	393.512	4.821	50	30		GJEARM
CCO/N=C(\C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000101160923	570281496	/nfs/dbraw/zinc/28/14/96/570281496.db2.gz	LMNDPHVADJOLID-LFVJCYFKSA-N	-1	0	376.456	4.533	50	30		GJEARM
Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000004712236	570397185	/nfs/dbraw/zinc/39/71/85/570397185.db2.gz	ITOGNZWAJLWSBK-WSDLNYQXSA-N	-1	0	377.400	4.760	50	30		GJEARM
O=C([O-])c1nc(Cl)c(Cl)c(N=NC2C3CC4CC(C3)CC2C4)c1Cl	ZINC000006686407	570532713	/nfs/dbraw/zinc/53/27/13/570532713.db2.gz	NIAPNYSNKHJJLD-UHFFFAOYSA-N	-1	0	388.682	4.964	50	30		GJEARM
O=C([O-])c1ccccc1NN=Cc1ccc(-c2ccc(Br)cc2)o1	ZINC000005554998	570633532	/nfs/dbraw/zinc/63/35/32/570633532.db2.gz	BIYHCPSDMIKYRE-RGVLZGJSSA-N	-1	0	385.217	4.853	50	30		GJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)c(Cl)c1	ZINC000006166200	570937151	/nfs/dbraw/zinc/93/71/51/570937151.db2.gz	XEZVKKNUHZDXFQ-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
CC(=NNc1nnc2c3cc(C)ccc3nc-2[n-]1)c1ccc2c3c(cccc31)CC2	ZINC000252601765	571005527	/nfs/dbraw/zinc/00/55/27/571005527.db2.gz	FCTQJTRAHXFHKI-UHFFFAOYSA-N	-1	0	392.466	4.902	50	30		GJEARM
Cc1cccc(OCCSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[n-]2)c1	ZINC000015859802	221348766	/nfs/dbraw/zinc/34/87/66/221348766.db2.gz	BDFDFQVAAMKOIM-UHFFFAOYSA-N	-1	0	397.887	4.854	50	30		GJEARM
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CC(C)(C)CC(=O)[O-])sc2C1	ZINC000016481987	221364027	/nfs/dbraw/zinc/36/40/27/221364027.db2.gz	VDCJECMXLMVVPS-LBPRGKRZSA-N	-1	0	376.522	4.600	50	30		GJEARM
CCCc1ccc(-c2c(C)sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C#N)cc1	ZINC000017078523	221377285	/nfs/dbraw/zinc/37/72/85/221377285.db2.gz	FPUUDTLHIPIEHU-CYBMUJFWSA-N	-1	0	384.501	4.987	50	30		GJEARM
CCCCC(=O)NC([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F	ZINC000098049055	519910952	/nfs/dbraw/zinc/91/09/52/519910952.db2.gz	HYQYHUBDZSFGCJ-UHFFFAOYSA-N	-1	0	378.263	4.504	50	30		GJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(F)(F)F)c1	ZINC000005900812	521312503	/nfs/dbraw/zinc/31/25/03/521312503.db2.gz	WNOHDEGETKBXSB-SSDVNMTOSA-N	-1	0	392.406	4.907	50	30		GJEARM
CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c1O	ZINC000002322386	521316901	/nfs/dbraw/zinc/31/69/01/521316901.db2.gz	FWLQHCRMECDWCN-LPYMAVHISA-N	-1	0	396.516	4.892	50	30		GJEARM
O=C([O-])c1cc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)ccc1Cl	ZINC000005090770	526340830	/nfs/dbraw/zinc/34/08/30/526340830.db2.gz	HPANKOAMAZQKDA-SRZZPIQSSA-N	-1	0	399.859	4.619	50	30		GJEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2sccc2-c2ccc(C)cc2)n1	ZINC000006607471	526400675	/nfs/dbraw/zinc/40/06/75/526400675.db2.gz	ISFBVTPWGPKCKM-INIZCTEOSA-N	-1	0	396.493	4.522	50	30		GJEARM
N#CC(=C([O-])c1cc(=O)c2ccccc2o1)c1nc(-c2ccc(F)cc2)cs1	ZINC000032682268	526506803	/nfs/dbraw/zinc/50/68/03/526506803.db2.gz	UCELUCIJQDQZBV-OAHLLOKOSA-N	-1	0	390.395	4.546	50	30		GJEARM
Clc1ccc(-c2ccc(C=NNc3nnc4c5ccccc5nc-4[n-]3)o2)cc1	ZINC000004577682	570385761	/nfs/dbraw/zinc/38/57/61/570385761.db2.gz	XBLAGGSPASIAQE-SSDVNMTOSA-N	-1	0	388.818	4.866	50	30		GJEARM
CCOc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OCc1ccccc1	ZINC000011905631	570591787	/nfs/dbraw/zinc/59/17/87/570591787.db2.gz	UIJMRJOLKFHDGW-BUVRLJJBSA-N	-1	0	390.439	4.809	50	30		GJEARM
C=CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N\c1ccc(/N=N/c2ccccc2)cc1	ZINC000100840832	570776299	/nfs/dbraw/zinc/77/62/99/570776299.db2.gz	BXJXSDDSKGCEDO-CDDBZTBOSA-N	-1	0	394.456	4.694	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC(=O)[C@]21C	ZINC000257347722	570784959	/nfs/dbraw/zinc/78/49/59/570784959.db2.gz	RMEZJKHOZLUOHB-UDDTUEAMSA-N	-1	0	388.548	4.606	50	30		GJEARM
Cn1cc([C@H](C(=C([O-])c2ccccc2)[N+](=O)[O-])c2ccccc2)c2ccccc21	ZINC000004811525	570998647	/nfs/dbraw/zinc/99/86/47/570998647.db2.gz	JORDTLDEPAVWPU-PKTZIBPZSA-N	-1	0	384.435	4.838	50	30		GJEARM
CCc1ccc2c(c1)C(=N[N-]c1nc(-c3ccc(Cl)cc3)cs1)C(=O)N2	ZINC000013857160	524059265	/nfs/dbraw/zinc/05/92/65/524059265.db2.gz	PXYDLZUDZAFVFC-UHFFFAOYSA-N	-1	0	382.876	4.794	50	30		GJEARM
N#CC(=C([O-])c1c[nH]c(=O)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	ZINC000054466217	526495511	/nfs/dbraw/zinc/49/55/11/526495511.db2.gz	HIWVIQOTZATSMU-VIFPVBQESA-N	-1	0	397.765	4.559	50	30		GJEARM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2	ZINC000048514403	570252853	/nfs/dbraw/zinc/25/28/53/570252853.db2.gz	NIACPWRVFNXPRL-UHFFFAOYSA-N	-1	0	387.423	4.567	50	30		GJEARM
O=C([N-]S(=O)(=O)c1ccccc1Cl)C(c1ccccc1)c1ccccc1	ZINC000048577796	570253262	/nfs/dbraw/zinc/25/32/62/570253262.db2.gz	MSOVOONWAVKAGU-UHFFFAOYSA-N	-1	0	385.872	4.817	50	30		GJEARM
COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c1OC	ZINC000002236525	570280136	/nfs/dbraw/zinc/28/01/36/570280136.db2.gz	DDCMCTTWNIMUCV-LPYMAVHISA-N	-1	0	396.516	4.805	50	30		GJEARM
S=c1[n-]nc(-c2cccc(Cl)c2)n1N=Cc1ccc(Br)cc1	ZINC000006191597	570299568	/nfs/dbraw/zinc/29/95/68/570299568.db2.gz	KIQGNIWASKVMQQ-GIJQJNRQSA-N	-1	0	393.697	4.906	50	30		GJEARM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2	ZINC000100535493	570386408	/nfs/dbraw/zinc/38/64/08/570386408.db2.gz	NTQIYVSTPPRHKX-PDGQHHTCSA-N	-1	0	376.485	4.526	50	30		GJEARM
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)[O-])ccc1N[C@@H]2c1ccccc1F	ZINC000005190833	570430818	/nfs/dbraw/zinc/43/08/18/570430818.db2.gz	XZQAQCQZZXDLKK-HXUWFJFHSA-N	-1	0	380.419	4.746	50	30		GJEARM
CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2c(C)cc(C)cc2C)cc1	ZINC000006574328	570483895	/nfs/dbraw/zinc/48/38/95/570483895.db2.gz	SDQSPBKRMLDNFI-WSDLNYQXSA-N	-1	0	380.517	4.890	50	30		GJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2Cl)c1	ZINC000005932613	570804867	/nfs/dbraw/zinc/80/48/67/570804867.db2.gz	MJTDMVNFGBMPFS-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2	ZINC000101148874	570816260	/nfs/dbraw/zinc/81/62/60/570816260.db2.gz	UPMJTCVROVHQNY-GZTJUZNOSA-N	-1	0	396.903	4.870	50	30		GJEARM
C=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000004537274	570848184	/nfs/dbraw/zinc/84/81/84/570848184.db2.gz	WIBCUTVRGBBGIT-UTDRDVLOSA-N	-1	0	390.464	4.731	50	30		GJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1C(F)(F)F	ZINC000006166214	570899680	/nfs/dbraw/zinc/89/96/80/570899680.db2.gz	KKTOSJFAFWVHSJ-UFFVCSGVSA-N	-1	0	378.379	4.517	50	30		GJEARM
[O-]c1c(Br)cc(Br)cc1C=NNc1cccc(F)c1	ZINC000004587452	570922546	/nfs/dbraw/zinc/92/25/46/570922546.db2.gz	JDRYXGGUFMHHHP-REZTVBANSA-N	-1	0	388.034	4.502	50	30		GJEARM
[O-]c1c(Br)cc(Cl)cc1C=NNc1cccc2cccnc21	ZINC000252602995	571006673	/nfs/dbraw/zinc/00/66/73/571006673.db2.gz	FNSSLIOIYLELSY-UHFFFAOYSA-N	-1	0	376.641	4.802	50	30		GJEARM
CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)[O-])n2)cc1	ZINC000002487318	220540119	/nfs/dbraw/zinc/54/01/19/220540119.db2.gz	YERCAVAWDZGQPX-UHFFFAOYSA-N	-1	0	396.390	4.605	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1	ZINC000008319061	221037479	/nfs/dbraw/zinc/03/74/79/221037479.db2.gz	GBGDAQNJPUKWPH-LYBHJNIJSA-N	-1	0	389.484	4.618	50	30		GJEARM
CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O	ZINC000018060748	520049876	/nfs/dbraw/zinc/04/98/76/520049876.db2.gz	GLECKXLSUGMWTP-UHFFFAOYSA-N	-1	0	393.487	4.715	50	30		GJEARM
CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)ccc1O	ZINC000002227022	520644885	/nfs/dbraw/zinc/64/48/85/520644885.db2.gz	ZXCUFRZUEJFQHA-LPYMAVHISA-N	-1	0	396.516	4.892	50	30		GJEARM
CCc1ncc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	ZINC000068412942	522547004	/nfs/dbraw/zinc/54/70/04/522547004.db2.gz	XLOLTUVVJCPQNE-VIFPVBQESA-N	-1	0	381.404	4.824	50	30		GJEARM
O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1	ZINC000018037105	526272295	/nfs/dbraw/zinc/27/22/95/526272295.db2.gz	PDEUWAYMCCRRNO-MRXNPFEDSA-N	-1	0	396.855	4.579	50	30		GJEARM
CN(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000002331332	570282919	/nfs/dbraw/zinc/28/29/19/570282919.db2.gz	PKJCSGIWHUQQBX-HYARGMPZSA-N	-1	0	379.533	4.853	50	30		GJEARM
Cc1cc(C)c(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C)c1	ZINC000004670354	570391848	/nfs/dbraw/zinc/39/18/48/570391848.db2.gz	UPDSLFVBZXWSED-RWEWTDSWSA-N	-1	0	382.467	4.831	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]21C	ZINC000257347721	570784953	/nfs/dbraw/zinc/78/49/53/570784953.db2.gz	RMEZJKHOZLUOHB-OEWZNETNSA-N	-1	0	388.548	4.606	50	30		GJEARM
O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1)c1cccc(Cl)c1	ZINC000004672142	570820428	/nfs/dbraw/zinc/82/04/28/570820428.db2.gz	WCROMZPYLAENDA-WSDLNYQXSA-N	-1	0	395.802	4.957	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc3ccccc23)cc1OC	ZINC000001475966	206384395	/nfs/dbraw/zinc/38/43/95/206384395.db2.gz	MRPAWKWWCREZDC-LPYMAVHISA-N	-1	0	390.468	4.660	50	30		GJEARM
COc1ccccc1-c1nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])ccc2o1	ZINC000027473354	524283243	/nfs/dbraw/zinc/28/32/43/524283243.db2.gz	GUJTYJJYGMODNL-WSDLNYQXSA-N	-1	0	389.367	4.868	50	30		GJEARM
COc1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000027472053	525681388	/nfs/dbraw/zinc/68/13/88/525681388.db2.gz	RIAWPZVSYLTRJQ-WSDLNYQXSA-N	-1	0	389.367	4.868	50	30		GJEARM
Cc1c(Cl)cccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1	ZINC000095215271	525759968	/nfs/dbraw/zinc/75/99/68/525759968.db2.gz	FWMPEJHGUDUCQN-NJNXFGOHSA-N	-1	0	388.858	4.867	50	30		GJEARM
O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1	ZINC000102569097	526955048	/nfs/dbraw/zinc/95/50/48/526955048.db2.gz	MERQXSPVDVQJSL-WOOAAIBNSA-N	-1	0	393.826	4.555	50	30		GJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000002234307	570280104	/nfs/dbraw/zinc/28/01/04/570280104.db2.gz	UXYIWZHCDKVEKE-UDWIEESQSA-N	-1	0	381.461	4.696	50	30		GJEARM
O=C([O-])c1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1	ZINC000004676120	570392445	/nfs/dbraw/zinc/39/24/45/570392445.db2.gz	TVNNMSRUDKWVKN-MDWZMJQESA-N	-1	0	393.251	4.583	50	30		GJEARM
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)[O-])ccc1N[C@H]2c1ccccc1F	ZINC000005190705	570431046	/nfs/dbraw/zinc/43/10/46/570431046.db2.gz	XZQAQCQZZXDLKK-FQEVSTJZSA-N	-1	0	380.419	4.746	50	30		GJEARM
CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1	ZINC000005795421	570457421	/nfs/dbraw/zinc/45/74/21/570457421.db2.gz	NBDSAUWCXMIRFW-KEBDBYFISA-N	-1	0	392.315	4.863	50	30		GJEARM
CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1	ZINC000005795425	570457519	/nfs/dbraw/zinc/45/75/19/570457519.db2.gz	PHGHQMNQINSSDO-KEBDBYFISA-N	-1	0	392.315	4.863	50	30		GJEARM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2	ZINC000100535539	570511787	/nfs/dbraw/zinc/51/17/87/570511787.db2.gz	DPTLRVFMVKZVFI-UNOMPAQXSA-N	-1	0	390.512	4.834	50	30		GJEARM
[O-]c1c(Br)cc(Br)cc1C=Nc1ccc2n[nH]cc2c1	ZINC000013126099	570748039	/nfs/dbraw/zinc/74/80/39/570748039.db2.gz	PVDFUUOBJHKMRT-UBKPWBPPSA-N	-1	0	395.054	4.544	50	30		GJEARM
CCCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000004664492	570813270	/nfs/dbraw/zinc/81/32/70/570813270.db2.gz	KKKKIVASUWCYSU-LTQOCESHSA-N	-1	0	380.469	4.789	50	30		GJEARM
CCc1ccc(-n2c(O)c(C=Nc3ccc(C)cc3C)c(=O)[n-]c2=S)cc1	ZINC000101579381	570827335	/nfs/dbraw/zinc/82/73/35/570827335.db2.gz	XLSQUTVXVMSOPL-UUYOSTAYSA-N	-1	0	379.485	4.531	50	30		GJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(C(F)(F)F)cc1	ZINC000006166205	570937229	/nfs/dbraw/zinc/93/72/29/570937229.db2.gz	AFMQRGSDKCZJRK-UFFVCSGVSA-N	-1	0	378.379	4.517	50	30		GJEARM
CN(C)c1ccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)cc1	ZINC000004817345	206558032	/nfs/dbraw/zinc/55/80/32/206558032.db2.gz	MKGLOQXJFSBAEE-WSDLNYQXSA-N	-1	0	379.416	4.742	50	30		GJEARM
CCCCCCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000101122378	520043506	/nfs/dbraw/zinc/04/35/06/520043506.db2.gz	DWEKWSAKQDDCFW-LGMDPLHJSA-N	-1	0	391.489	4.547	50	30		GJEARM
CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O	ZINC000002290478	520051791	/nfs/dbraw/zinc/05/17/91/520051791.db2.gz	QGGUXBQGDOIWQP-UHFFFAOYSA-N	-1	0	393.487	4.715	50	30		GJEARM
Cc1[n-]n(-c2nc(C(C)(C)C)cs2)c(=O)c1N=Nc1ccc2ccccc2c1	ZINC000100550745	520899467	/nfs/dbraw/zinc/89/94/67/520899467.db2.gz	CKYPIOXUCGCKEU-HKOYGPOVSA-N	-1	0	391.500	4.784	50	30		GJEARM
COc1ccc(/N=C2\N=C([O-])S\C2=C/c2c(C)nc3scc(C)n23)cc1	ZINC000072401217	523470170	/nfs/dbraw/zinc/47/01/70/523470170.db2.gz	WHTCCIXLWVORNL-NVNXTCNLSA-N	-1	0	384.486	4.753	50	30		GJEARM
O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1	ZINC000102863561	526955133	/nfs/dbraw/zinc/95/51/33/526955133.db2.gz	GKDOMYIDFOUISZ-LFVOPCPISA-N	-1	0	393.826	4.555	50	30		GJEARM
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1	ZINC000012377786	527604036	/nfs/dbraw/zinc/60/40/36/527604036.db2.gz	HYMLXODFFHUXNP-YHYXMXQVSA-N	-1	0	398.821	4.713	50	30		GJEARM
O=C(/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)s1)c1ccccc1	ZINC000097324147	527655932	/nfs/dbraw/zinc/65/59/32/527655932.db2.gz	QUQHWEDMWNOOHR-BENRWUELSA-N	-1	0	387.457	4.584	50	30		GJEARM
S=c1[n-]nc(-c2cccc(Cl)c2)n1N=Cc1ccccc1Br	ZINC000006192407	570299671	/nfs/dbraw/zinc/29/96/71/570299671.db2.gz	LPLZJUORCXXJKT-GIJQJNRQSA-N	-1	0	393.697	4.906	50	30		GJEARM
N#Cc1c(C(F)(F)F)cc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)[O-]	ZINC000004620342	570667316	/nfs/dbraw/zinc/66/73/16/570667316.db2.gz	MDNMKWVVKHRWFQ-UHFFFAOYSA-N	-1	0	396.434	4.617	50	30		GJEARM
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1	ZINC000005799215	570692535	/nfs/dbraw/zinc/69/25/35/570692535.db2.gz	OXEDXXDMNLANKS-QFIPXVFZSA-N	-1	0	398.462	4.988	50	30		GJEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1	ZINC000004544174	570855589	/nfs/dbraw/zinc/85/55/89/570855589.db2.gz	ZXAYWZAUZHCFJJ-HZHRSRAPSA-N	-1	0	384.395	4.904	50	30		GJEARM
CCCCCOc1ccc(/C=C/C(=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000004715985	570856532	/nfs/dbraw/zinc/85/65/32/570856532.db2.gz	SCTDDJCKDIVSMC-SDNWHVSQSA-N	-1	0	378.424	4.964	50	30		GJEARM
N#CC(C(=O)c1ccc(F)c(F)c1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000103765767	570888537	/nfs/dbraw/zinc/88/85/37/570888537.db2.gz	XDPMSRDCDHBYLB-INIZCTEOSA-N	-1	0	378.378	4.530	50	30		GJEARM
CCOC(=O)c1nnsc1[N-]c1ccccc1/N=C/c1ccc(Cl)cc1	ZINC000001417033	570992414	/nfs/dbraw/zinc/99/24/14/570992414.db2.gz	AJXZNULLSHHYNR-RGVLZGJSSA-N	-1	0	386.864	4.862	50	30		GJEARM
O=[N+]([O-])c1cccc(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)c1[O-]	ZINC000252623103	571034981	/nfs/dbraw/zinc/03/49/81/571034981.db2.gz	OKDZNOBMCCCYPA-UHFFFAOYSA-N	-1	0	377.331	4.998	50	30		GJEARM
C=CCSc1nnc2c(n1)O[C@H](c1ccc(O)c(Cl)c1)Nc1ccccc1-2	ZINC000005725861	212080715	/nfs/dbraw/zinc/08/07/15/212080715.db2.gz	LQJPDUCZCRNFIE-QGZVFWFLSA-N	-1	0	398.875	4.679	50	30		GJEARM
Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017077794	221377862	/nfs/dbraw/zinc/37/78/62/221377862.db2.gz	IXHRKUFRUZESTP-JKSUJKDBSA-N	-1	0	380.469	4.509	50	30		GJEARM
C#CCOc1c(Cl)cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1OC	ZINC000096891513	518315500	/nfs/dbraw/zinc/31/55/00/518315500.db2.gz	LBJJOOBHOIEHFV-ZROIWOOFSA-N	-1	0	397.814	4.517	50	30		GJEARM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OCC)c2)cc1	ZINC000005892772	520322945	/nfs/dbraw/zinc/32/29/45/520322945.db2.gz	BCKAFMORSAZSIL-KGENOOAVSA-N	-1	0	382.489	4.677	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000100510726	520898431	/nfs/dbraw/zinc/89/84/31/520898431.db2.gz	HMCVPYZKNPOFMW-HAVVHWLPSA-N	-1	0	395.875	4.654	50	30		GJEARM
COc1cc(C=Nn2c(=S)[n-]nc2C(C)C)ccc1OCCc1ccccc1	ZINC000005444200	522000463	/nfs/dbraw/zinc/00/04/63/522000463.db2.gz	CKZOOFGFBLDHLQ-HYARGMPZSA-N	-1	0	396.516	4.576	50	30		GJEARM
CSc1ccc(CN=Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1	ZINC000004372486	525951263	/nfs/dbraw/zinc/95/12/63/525951263.db2.gz	VXJZSSHWKCTIJV-UDWIEESQSA-N	-1	0	383.498	4.605	50	30		GJEARM
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1[O-]	ZINC000000725360	570220765	/nfs/dbraw/zinc/22/07/65/570220765.db2.gz	OKDZNOBMCCCYPA-SSDVNMTOSA-N	-1	0	377.331	4.998	50	30		GJEARM
COc1ccc(C(=O)C(C#N)=NNc2c(Cl)cc(Cl)cc2Cl)cc1	ZINC000002146914	570276111	/nfs/dbraw/zinc/27/61/11/570276111.db2.gz	YENPGPTTYQHCFV-KGENOOAVSA-N	-1	0	382.634	4.830	50	30		GJEARM
CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccn2)c1=O	ZINC000002290775	570281219	/nfs/dbraw/zinc/28/12/19/570281219.db2.gz	URRPYJNFPPDUKH-UHFFFAOYSA-N	-1	0	393.487	4.715	50	30		GJEARM
COc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000002339395	570283223	/nfs/dbraw/zinc/28/32/23/570283223.db2.gz	NHSPBIKJFCKUIC-VCHYOVAHSA-N	-1	0	395.326	4.642	50	30		GJEARM
CCn1c2ccccc2c2cc(C=Nc3cccc4c(=O)[nH][n-]c(=O)c34)ccc21	ZINC000003161952	570331067	/nfs/dbraw/zinc/33/10/67/570331067.db2.gz	FJISGXWBKVGXLR-ZMOGYAJESA-N	-1	0	382.423	4.507	50	30		GJEARM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000006242006	570347796	/nfs/dbraw/zinc/34/77/96/570347796.db2.gz	ZAMAJMQGKWWJRB-KEBDBYFISA-N	-1	0	385.763	4.652	50	30		GJEARM
Cc1c(Cl)c(C)c(C=NNc2ccc([N+](=O)[O-])cc2)c([O-])c1Br	ZINC000004754273	570403040	/nfs/dbraw/zinc/40/30/40/570403040.db2.gz	ABJWXRKQLZSQSG-CNHKJKLMSA-N	-1	0	398.644	4.779	50	30		GJEARM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c1	ZINC000004855378	570412740	/nfs/dbraw/zinc/41/27/40/570412740.db2.gz	WKUBVCYWAIZGJE-UHFFFAOYSA-N	-1	0	378.767	4.761	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(F)(F)F)cc2)cc1	ZINC000005578667	570447425	/nfs/dbraw/zinc/44/74/25/570447425.db2.gz	FNMHCCPWPLEDCO-UFFVCSGVSA-N	-1	0	378.379	4.517	50	30		GJEARM
Cc1cc(/C=N/c2cccc(NC(=O)c3ccccc3C)c2)c([O-])c([N+](=O)[O-])c1	ZINC000006525448	570465909	/nfs/dbraw/zinc/46/59/09/570465909.db2.gz	JODDWXQHSWQHKH-YDZHTSKRSA-N	-1	0	389.411	4.920	50	30		GJEARM
CCCCCCCc1c(C)[n-]n(-c2nnc3c4ccccc4n(CC)c3n2)c1=O	ZINC000002030950	570492842	/nfs/dbraw/zinc/49/28/42/570492842.db2.gz	FJXUHQCCYORJLY-UHFFFAOYSA-N	-1	0	392.507	4.712	50	30		GJEARM
CCc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)cc1	ZINC000008200414	570524017	/nfs/dbraw/zinc/52/40/17/570524017.db2.gz	NGDLSCUIJTXMOH-YBFXNURJSA-N	-1	0	387.306	4.815	50	30		GJEARM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1	ZINC000006790367	570596024	/nfs/dbraw/zinc/59/60/24/570596024.db2.gz	PPGJTEDOYFSTOL-UHFFFAOYSA-N	-1	0	384.844	4.805	50	30		GJEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2c(F)cccc2Cl)cc1	ZINC000005900395	570802128	/nfs/dbraw/zinc/80/21/28/570802128.db2.gz	VPPZJNOJMSARKK-KEBDBYFISA-N	-1	0	376.844	4.681	50	30		GJEARM
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C#N)C1	ZINC000239338636	570827945	/nfs/dbraw/zinc/82/79/45/570827945.db2.gz	KWCGJTBHOVISKH-VHDGCEQUSA-N	-1	0	388.533	4.600	50	30		GJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1Cl	ZINC000006166208	570937214	/nfs/dbraw/zinc/93/72/14/570937214.db2.gz	WRAJHRXXGBBYHI-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
O=C([O-])c1ccccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)o1	ZINC000004746584	570958307	/nfs/dbraw/zinc/95/83/07/570958307.db2.gz	IZYNNPPUUVTJFU-LDADJPATSA-N	-1	0	390.420	4.536	50	30		GJEARM
S=c1[n-]nc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2)cc1	ZINC000001288032	212233760	/nfs/dbraw/zinc/23/37/60/212233760.db2.gz	IFCOTXZRUXKUAI-FYJGNVAPSA-N	-1	0	376.441	4.662	50	30		GJEARM
Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000000636700	212167295	/nfs/dbraw/zinc/16/72/95/212167295.db2.gz	GMYSEPSPJQJXNL-UHFFFAOYSA-N	-1	0	385.419	4.563	50	30		GJEARM
C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1	ZINC000005789344	212081664	/nfs/dbraw/zinc/08/16/64/212081664.db2.gz	DEPCAVXQAMQFAQ-SFHVURJKSA-N	-1	0	385.489	4.693	50	30		GJEARM
COC(=O)N=C([N-]C(=O)OC)Nc1ccc(C)cc1N=Nc1ccc(C)cc1	ZINC000016157650	207072799	/nfs/dbraw/zinc/07/27/99/207072799.db2.gz	XTCXNGZARJTYDT-WCWDXBQESA-N	-1	0	383.408	4.814	50	30		GJEARM
C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2[n-]c1=S	ZINC000012607246	519160409	/nfs/dbraw/zinc/16/04/09/519160409.db2.gz	FTEMVYYCQUVMDJ-UHFFFAOYSA-N	-1	0	379.485	4.621	50	30		GJEARM
CCOc1ccc(/C=C2\CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc1	ZINC000098055718	520850369	/nfs/dbraw/zinc/85/03/69/520850369.db2.gz	JREVHSZWBHPSAF-GHRIWEEISA-N	-1	0	380.440	4.540	50	30		GJEARM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000005624954	523456403	/nfs/dbraw/zinc/45/64/03/523456403.db2.gz	JSYBABSHGMOFDE-LPYMAVHISA-N	-1	0	396.516	4.805	50	30		GJEARM
N#CN=C(Nc1cccc(C(F)(F)F)c1)SCc1ccc(C(=O)[O-])cc1	ZINC000004620302	570388315	/nfs/dbraw/zinc/38/83/15/570388315.db2.gz	HBSZUZRGKDMYLS-UHFFFAOYSA-N	-1	0	379.363	4.586	50	30		GJEARM
CCc1ccc(-n2c(O)c(C=Nc3ccccc3SC)c(=O)[n-]c2=S)cc1	ZINC000101591192	570826922	/nfs/dbraw/zinc/82/69/22/570826922.db2.gz	QBPCYCKFCGYZNV-CIAFOILYSA-N	-1	0	397.525	4.636	50	30		GJEARM
CCc1ccc(-n2c(O)c(C=Nc3cc(C)ccc3C)c(=O)[n-]c2=S)cc1	ZINC000101603724	570827250	/nfs/dbraw/zinc/82/72/50/570827250.db2.gz	KCZFXARHMCEOOT-WSDLNYQXSA-N	-1	0	379.485	4.531	50	30		GJEARM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c1	ZINC000000980739	206338114	/nfs/dbraw/zinc/33/81/14/206338114.db2.gz	SYZNSHTVWZEXJO-SRZZPIQSSA-N	-1	0	399.859	4.619	50	30		GJEARM
CCCC(=O)[N-]C(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F	ZINC000098049052	519870505	/nfs/dbraw/zinc/87/05/05/519870505.db2.gz	RDMHLTMPSLIMBS-UHFFFAOYSA-N	-1	0	396.253	4.855	50	30		GJEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(C(F)(F)F)ccc1Cl	ZINC000100397655	520896274	/nfs/dbraw/zinc/89/62/74/520896274.db2.gz	JOEDFTXUMNBTFO-HZHRSRAPSA-N	-1	0	380.757	4.549	50	30		GJEARM
Cc1ccccc1/C=C\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000096311139	525039928	/nfs/dbraw/zinc/03/99/28/525039928.db2.gz	BXQHPDWSAIGNLB-NXVVXOECSA-N	-1	0	377.465	4.692	50	30		GJEARM
O=C1c2ccccc2C/C1=C/c1cc(Br)c([O-])c(Br)c1	ZINC000033686957	527132032	/nfs/dbraw/zinc/13/20/32/527132032.db2.gz	XGEIVVMFYCCTLY-WZUFQYTHSA-N	-1	0	394.062	4.740	50	30		GJEARM
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)o1	ZINC000000702753	570218619	/nfs/dbraw/zinc/21/86/19/570218619.db2.gz	VIVXHCAMNMMZOQ-SFHVURJKSA-N	-1	0	397.814	4.613	50	30		GJEARM
Cc1c(Cl)cccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1	ZINC000005532583	570444564	/nfs/dbraw/zinc/44/45/64/570444564.db2.gz	FWMPEJHGUDUCQN-DAFNUICNSA-N	-1	0	388.858	4.867	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000005893656	570460595	/nfs/dbraw/zinc/46/05/95/570460595.db2.gz	DMTQHSLTEBUADC-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
N#Cc1c([O-])c(Cc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1	ZINC000006667349	570527103	/nfs/dbraw/zinc/52/71/03/570527103.db2.gz	CXBWGHSSEAMFLY-UHFFFAOYSA-N	-1	0	378.431	4.673	50	30		GJEARM
O=C([O-])c1cccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)o2)c1	ZINC000005556992	570640102	/nfs/dbraw/zinc/64/01/02/570640102.db2.gz	XPTKJDQWLKNSED-PDGQHHTCSA-N	-1	0	390.420	4.536	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC(=O)[C@]21C	ZINC000257359229	570786174	/nfs/dbraw/zinc/78/61/74/570786174.db2.gz	ZBOSYSDRXVXLAH-LBNXVQSXSA-N	-1	0	386.532	4.526	50	30		GJEARM
N#CC(C(=O)c1ccc(F)c(F)c1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000103765763	570888712	/nfs/dbraw/zinc/88/87/12/570888712.db2.gz	XDPMSRDCDHBYLB-MRXNPFEDSA-N	-1	0	378.378	4.530	50	30		GJEARM
Cc1c(Cl)c(C)c(C=NNc2ccc([N+](=O)[O-])cc2)c([O-])c1Br	ZINC000252588370	570997069	/nfs/dbraw/zinc/99/70/69/570997069.db2.gz	ABJWXRKQLZSQSG-UHFFFAOYSA-N	-1	0	398.644	4.779	50	30		GJEARM
COc1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1	ZINC000100349747	231006477	/nfs/dbraw/zinc/00/64/77/231006477.db2.gz	SDOJEVDHWSBMOS-CAOOACKPSA-N	-1	0	385.055	4.676	50	30		GJEARM
C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1	ZINC000018068961	212149806	/nfs/dbraw/zinc/14/98/06/212149806.db2.gz	MTVAPLLKMKQKPO-UHFFFAOYSA-N	-1	0	380.444	4.730	50	30		GJEARM
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1	ZINC000005789341	212080657	/nfs/dbraw/zinc/08/06/57/212080657.db2.gz	DEPCAVXQAMQFAQ-GOSISDBHSA-N	-1	0	385.489	4.693	50	30		GJEARM
CCc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[n-]2)cc1	ZINC000005634201	209124574	/nfs/dbraw/zinc/12/45/74/209124574.db2.gz	FKWADLVMRHTHIF-UHFFFAOYSA-N	-1	0	379.257	4.905	50	30		GJEARM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2Cl)cc1	ZINC000000953493	206337547	/nfs/dbraw/zinc/33/75/47/206337547.db2.gz	FBESWOOGJVGHCY-UHFFFAOYSA-N	-1	0	384.844	4.805	50	30		GJEARM
Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017078108	221377822	/nfs/dbraw/zinc/37/78/22/221377822.db2.gz	UEGJPDDXGXDPOY-JKSUJKDBSA-N	-1	0	382.485	4.733	50	30		GJEARM
CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccn2)c1=O	ZINC000018043781	520049433	/nfs/dbraw/zinc/04/94/33/520049433.db2.gz	QCBMIVAYLNLUPA-UHFFFAOYSA-N	-1	0	393.487	4.715	50	30		GJEARM
CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O	ZINC000017782664	520050055	/nfs/dbraw/zinc/05/00/55/520050055.db2.gz	FEGZIQUMDAWFNU-UHFFFAOYSA-N	-1	0	393.487	4.715	50	30		GJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)C)cc2)cc1OC	ZINC000005836344	523172608	/nfs/dbraw/zinc/17/26/08/523172608.db2.gz	IWSAOOZFYWLPDK-CIAFOILYSA-N	-1	0	382.489	4.630	50	30		GJEARM
[O-]c1c(Br)cc2oc3c(c2c1/C=N\Cc1ccncc1)CCCC3	ZINC000034098183	526324282	/nfs/dbraw/zinc/32/42/82/526324282.db2.gz	BUOZXYOCUVMWBK-JJFYIABZSA-N	-1	0	385.261	4.794	50	30		GJEARM
O=C([O-])c1ccc(NN=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1	ZINC000005163700	526372376	/nfs/dbraw/zinc/37/23/76/526372376.db2.gz	YRKHMMSNNIQPFI-YDZHTSKRSA-N	-1	0	394.814	4.703	50	30		GJEARM
O=C(C(N=Nc1ccc(Cl)cc1Cl)=C([O-])c1cccs1)C(F)(F)F	ZINC000002141749	570275875	/nfs/dbraw/zinc/27/58/75/570275875.db2.gz	VAYIDKDQPQOINB-NHDPSOOVSA-N	-1	0	395.189	4.837	50	30		GJEARM
Cc1ccc(C(=O)NC([N-]c2ccccc2F)(C(F)(F)F)C(F)(F)F)cc1	ZINC000002306141	570281871	/nfs/dbraw/zinc/28/18/71/570281871.db2.gz	XCIPBLVORIEEDA-UHFFFAOYSA-N	-1	0	394.290	4.797	50	30		GJEARM
O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cccc(Br)c1[O-]	ZINC000004811419	570407730	/nfs/dbraw/zinc/40/77/30/570407730.db2.gz	FNFOHEABPGBPDO-SNAWJCMRSA-N	-1	0	395.636	4.571	50	30		GJEARM
CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)cc1	ZINC000005789579	570456902	/nfs/dbraw/zinc/45/69/02/570456902.db2.gz	SIUUHWIDPQMLIE-HYARGMPZSA-N	-1	0	379.533	4.853	50	30		GJEARM
O=C([O-])c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)NC3=O)o2)cc1	ZINC000005600797	570667671	/nfs/dbraw/zinc/66/76/71/570667671.db2.gz	FFPIUMLITGWPFI-LDADJPATSA-N	-1	0	390.420	4.536	50	30		GJEARM
CC(C)(C)c1ccc(O)c(N=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000252622316	571034019	/nfs/dbraw/zinc/03/40/19/571034019.db2.gz	NSLMEOYAZBCMJU-UHFFFAOYSA-N	-1	0	393.237	4.817	50	30		GJEARM
CCc1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2[O-])c1	ZINC000001196175	212227816	/nfs/dbraw/zinc/22/78/16/212227816.db2.gz	UEHCPVSHXUKCBX-QGMBQPNBSA-N	-1	0	399.082	4.936	50	30		GJEARM
CCCc1ccc(-c2c(C)sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C#N)cc1	ZINC000017078524	207083146	/nfs/dbraw/zinc/08/31/46/207083146.db2.gz	FPUUDTLHIPIEHU-ZDUSSCGKSA-N	-1	0	384.501	4.987	50	30		GJEARM
CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000017166992	523675150	/nfs/dbraw/zinc/67/51/50/523675150.db2.gz	CTUKXPQQAYRHCQ-ZIARRYFKSA-N	-1	0	394.496	4.916	50	30		GJEARM
Cc1ccc(C/N=C(\[O-])Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1	ZINC000028048869	524225912	/nfs/dbraw/zinc/22/59/12/524225912.db2.gz	VRKBULTVNIATEK-UHFFFAOYSA-N	-1	0	391.471	4.982	50	30		GJEARM
O=C([N-]CCCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002736416	527654853	/nfs/dbraw/zinc/65/48/53/527654853.db2.gz	WWNUTVCRCGGNRX-UHFFFAOYSA-N	-1	0	395.265	4.594	50	30		GJEARM
O=C([O-])c1ccccc1NC1=C(Br)C(=O)C[C@H](c2ccccc2)C1	ZINC000005224594	570431816	/nfs/dbraw/zinc/43/18/16/570431816.db2.gz	PWGOZHDEEAOQRO-CYBMUJFWSA-N	-1	0	386.245	4.550	50	30		GJEARM
CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000036089887	570532739	/nfs/dbraw/zinc/53/27/39/570532739.db2.gz	CNPPUOICQVEYAQ-BRQLWOPXSA-N	-1	0	386.860	4.662	50	30		GJEARM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccc(F)cc3)sc2C1	ZINC000005383716	570570896	/nfs/dbraw/zinc/57/08/96/570570896.db2.gz	HEYXUZVGAPQKKC-GFCCVEGCSA-N	-1	0	392.521	4.711	50	30		GJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2Cl)c1	ZINC000005932610	570804883	/nfs/dbraw/zinc/80/48/83/570804883.db2.gz	QFIPTUAPACLQQH-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
Cn1c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2c2nc3ccccc3nc21	ZINC000001958244	212259786	/nfs/dbraw/zinc/25/97/86/212259786.db2.gz	JCUHGYMNJRNZCD-FSJBWODESA-N	-1	0	397.394	4.639	50	30		GJEARM
S=c1[n-]nc(-c2ccco2)n1N=Cc1cccc(OCc2ccccc2)c1	ZINC000001475872	212247945	/nfs/dbraw/zinc/24/79/45/212247945.db2.gz	SJKLXXNLVPJEFT-FYJGNVAPSA-N	-1	0	376.441	4.662	50	30		GJEARM
N#Cc1c(=O)[n-]c(Nc2ccc(Cl)cc2)nc1-c1ccc(C(F)(F)F)cc1	ZINC000095921744	208238895	/nfs/dbraw/zinc/23/88/95/208238895.db2.gz	OYHFFCLTLBDSLH-UHFFFAOYSA-N	-1	0	390.752	4.724	50	30		GJEARM
C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000101247113	208389898	/nfs/dbraw/zinc/38/98/98/208389898.db2.gz	DKGPZKHWDJYAMG-HVESIFNPSA-N	-1	0	388.250	4.601	50	30		GJEARM
COc1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3)nc2c1	ZINC000027472046	525681358	/nfs/dbraw/zinc/68/13/58/525681358.db2.gz	QFEUCYYPKRQLRH-WSDLNYQXSA-N	-1	0	389.367	4.868	50	30		GJEARM
O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[n-]n1-c1ccccc1	ZINC000100050148	526332294	/nfs/dbraw/zinc/33/22/94/526332294.db2.gz	WCNIPVACNGFZEZ-UHFFFAOYSA-N	-1	0	378.194	4.503	50	30		GJEARM
N#CC(=C([O-])c1c[nH]c(=O)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	ZINC000054466220	526509142	/nfs/dbraw/zinc/50/91/42/526509142.db2.gz	HIWVIQOTZATSMU-SECBINFHSA-N	-1	0	397.765	4.559	50	30		GJEARM
O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(C=NNc2ccccc2)c1[O-]	ZINC000036046200	527331391	/nfs/dbraw/zinc/33/13/91/527331391.db2.gz	XJXHYBUPRZQGAY-LPYMAVHISA-N	-1	0	381.819	4.991	50	30		GJEARM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c(OC)c1	ZINC000002328928	570282888	/nfs/dbraw/zinc/28/28/88/570282888.db2.gz	RKYBAESJLBUUON-LPYMAVHISA-N	-1	0	396.516	4.805	50	30		GJEARM
CC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000005173316	570492116	/nfs/dbraw/zinc/49/21/16/570492116.db2.gz	PTRXUZWXASFXFM-OEAKJJBVSA-N	-1	0	389.411	4.600	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(C)c1C	ZINC000005619811	570669926	/nfs/dbraw/zinc/66/99/26/570669926.db2.gz	KCYJGJVFAAFWJA-CLCOLTQESA-N	-1	0	389.484	4.618	50	30		GJEARM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2	ZINC000101114012	570814499	/nfs/dbraw/zinc/81/44/99/570814499.db2.gz	DOVIPLHGNQPNGK-LDADJPATSA-N	-1	0	390.512	4.834	50	30		GJEARM
Cn1cc([C@@H](C(=C([O-])c2ccccc2)[N+](=O)[O-])c2ccccc2)c2ccccc21	ZINC000004811527	570998870	/nfs/dbraw/zinc/99/88/70/570998870.db2.gz	JORDTLDEPAVWPU-GOTSBHOMSA-N	-1	0	384.435	4.838	50	30		GJEARM
N#Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1	ZINC000064797808	222081492	/nfs/dbraw/zinc/08/14/92/222081492.db2.gz	QKELXDFIPODNSW-HNNXBMFYSA-N	-1	0	392.411	4.598	50	30		GJEARM
C=CCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000036914704	518702333	/nfs/dbraw/zinc/70/23/33/518702333.db2.gz	MRJFPZWLOJOINV-QHCPKHFHSA-N	-1	0	379.456	4.725	50	30	in-vitro	GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000100005444	520898340	/nfs/dbraw/zinc/89/83/40/520898340.db2.gz	HMCVPYZKNPOFMW-QJOMJCCJSA-N	-1	0	395.875	4.654	50	30		GJEARM
N#CC(=C([O-])c1cc(=O)c2ccccc2o1)c1nc(-c2ccc(F)cc2)cs1	ZINC000032682266	526493807	/nfs/dbraw/zinc/49/38/07/526493807.db2.gz	UCELUCIJQDQZBV-HNNXBMFYSA-N	-1	0	390.395	4.546	50	30		GJEARM
O=C1Nc2ccccc2C1=N[N-]c1nc(-c2ccc(-c3ccccc3)cc2)cs1	ZINC000013465522	527090049	/nfs/dbraw/zinc/09/00/49/527090049.db2.gz	PMVVPLDTDILEGK-UHFFFAOYSA-N	-1	0	396.475	4.667	50	30		GJEARM
CSc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)cc1	ZINC000005690097	570451731	/nfs/dbraw/zinc/45/17/31/570451731.db2.gz	XBZMYULTHIFOEX-UDWIEESQSA-N	-1	0	384.530	4.999	50	30		GJEARM
COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c1	ZINC000012465454	570671638	/nfs/dbraw/zinc/67/16/38/570671638.db2.gz	IVJSVVUOPQTKMG-XKZIYDEJSA-N	-1	0	396.516	4.805	50	30		GJEARM
Cc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)c([O-])c([N+](=O)[O-])c1	ZINC000001312729	570714997	/nfs/dbraw/zinc/71/49/97/570714997.db2.gz	AMRPDGKLEHEJGY-FOKLQQMPSA-N	-1	0	393.365	4.978	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C	ZINC000257359226	570786078	/nfs/dbraw/zinc/78/60/78/570786078.db2.gz	ZBOSYSDRXVXLAH-CEMHDZANSA-N	-1	0	386.532	4.526	50	30		GJEARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]21C	ZINC000257359227	570786151	/nfs/dbraw/zinc/78/61/51/570786151.db2.gz	ZBOSYSDRXVXLAH-CNQCVTBPSA-N	-1	0	386.532	4.526	50	30		GJEARM
N#C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12	ZINC000001216681	570814954	/nfs/dbraw/zinc/81/49/54/570814954.db2.gz	OQONOPIMENPHMU-OWWUNANSSA-N	-1	0	394.430	4.514	50	30		GJEARM
O=C1CCCC2=C1C(c1cc(Cl)c([O-])c(Cl)c1)C1=C(CCCC1=O)O2	ZINC000004680662	570829049	/nfs/dbraw/zinc/82/90/49/570829049.db2.gz	ZCXJVVVCMBBSCI-UHFFFAOYSA-N	-1	0	379.239	4.827	50	30		GJEARM
C=CCn1c(=O)c2c(-c3ccc(Br)cc3)csc2[n-]c1=S	ZINC000003245980	570841603	/nfs/dbraw/zinc/84/16/03/570841603.db2.gz	STBFXLQMWAOKPB-UHFFFAOYSA-N	-1	0	379.304	4.736	50	30		GJEARM
Fc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1F	ZINC000006102781	570929181	/nfs/dbraw/zinc/92/91/81/570929181.db2.gz	BFLCVIJHCOGYJE-UFWORHAWSA-N	-1	0	395.232	4.531	50	30		GJEARM
Cc1cc(C)c(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C)c1	ZINC000252462592	570961233	/nfs/dbraw/zinc/96/12/33/570961233.db2.gz	UPDSLFVBZXWSED-UHFFFAOYSA-N	-1	0	382.467	4.831	50	30		GJEARM
O=c1[n-]c(=S)[nH]nc1-c1ccccc1N=Cc1ccc(Cl)c(Cl)c1	ZINC000003189775	570967200	/nfs/dbraw/zinc/96/72/00/570967200.db2.gz	DMPXPCXKJOJOHJ-UFWORHAWSA-N	-1	0	377.256	4.964	50	30		GJEARM
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C(=O)[O-])cc1	ZINC000000973030	206338196	/nfs/dbraw/zinc/33/81/96/206338196.db2.gz	PWGYRZKAAVKBSV-UHFFFAOYSA-N	-1	0	394.467	4.785	50	30		GJEARM
O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)c1[O-]	ZINC000001313496	206371436	/nfs/dbraw/zinc/37/14/36/206371436.db2.gz	YTNXHHRHFSIZEY-SSDVNMTOSA-N	-1	0	379.338	4.670	50	30		GJEARM
COc1cc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000034887552	521921503	/nfs/dbraw/zinc/92/15/03/521921503.db2.gz	WBFITGHULHAJER-LDADJPATSA-N	-1	0	375.380	4.733	50	30		GJEARM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)c1[O-]	ZINC000102417534	522974300	/nfs/dbraw/zinc/97/43/00/522974300.db2.gz	RNDCTJUANMOYGP-WSDLNYQXSA-N	-1	0	389.367	4.868	50	30		GJEARM
O=C([O-])CCn1cc(/C=C/C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1	ZINC000005786106	527603161	/nfs/dbraw/zinc/60/31/61/527603161.db2.gz	ZZUFPRQNKLLNBI-RMKNXTFCSA-N	-1	0	398.821	4.713	50	30		GJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc([N+](=O)[O-])ccc1[O-]	ZINC000020350919	570252550	/nfs/dbraw/zinc/25/25/50/570252550.db2.gz	YVXMOOQAHMMSGK-FQEVSTJZSA-N	-1	0	379.416	4.522	50	30		GJEARM
C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000101231672	570817054	/nfs/dbraw/zinc/81/70/54/570817054.db2.gz	QOLRSDIYXNEOHV-MRJHHRETSA-N	-1	0	375.468	4.726	50	30		GJEARM
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CC(C)(C)CC(=O)[O-])sc2C1	ZINC000016481985	221364059	/nfs/dbraw/zinc/36/40/59/221364059.db2.gz	VDCJECMXLMVVPS-GFCCVEGCSA-N	-1	0	376.522	4.600	50	30		GJEARM
CCc1ccc2nc3[n-]c(NN=Cc4c(OC)ccc5ccccc54)nnc-3c2c1	ZINC000005471582	524058536	/nfs/dbraw/zinc/05/85/36/524058536.db2.gz	ITLZDNQZRHAYHK-ZMOGYAJESA-N	-1	0	396.454	4.676	50	30		GJEARM
Cc1ccccc1/C=C/C(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000060108347	525039166	/nfs/dbraw/zinc/03/91/66/525039166.db2.gz	BXQHPDWSAIGNLB-FOCLMDBBSA-N	-1	0	377.465	4.692	50	30		GJEARM
O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(=S)[n-]nc3-c3ccccc3)o2)c1	ZINC000005450666	527381028	/nfs/dbraw/zinc/38/10/28/527381028.db2.gz	JWSXJLJZPZWYTF-UDWIEESQSA-N	-1	0	391.412	4.658	50	30		GJEARM
O=C([O-])c1ccc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1	ZINC000005555000	570445751	/nfs/dbraw/zinc/44/57/51/570445751.db2.gz	AYLYXZJKCFQSJQ-RGVLZGJSSA-N	-1	0	385.217	4.853	50	30		GJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(F)(F)F)cc2)c1	ZINC000006007347	570464545	/nfs/dbraw/zinc/46/45/45/570464545.db2.gz	ONIUZOIYUPPJFH-UFFVCSGVSA-N	-1	0	378.379	4.517	50	30		GJEARM
CCOc1ccc2ccccc2c1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000006631288	570485407	/nfs/dbraw/zinc/48/54/07/570485407.db2.gz	GYFACRGBMVOTDQ-YDZHTSKRSA-N	-1	0	382.427	4.504	50	30		GJEARM
O=[N+]([O-])c1cc(Cl)cc(C=NN=c2[nH]c3cccc(Cl)c3s2)c1[O-]	ZINC000030822890	570496918	/nfs/dbraw/zinc/49/69/18/570496918.db2.gz	DTMGIEJDHDEMPV-UBKPWBPPSA-N	-1	0	383.216	4.663	50	30		GJEARM
COc1cc(C)cc2c(C)c(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)oc21	ZINC000072310871	570536960	/nfs/dbraw/zinc/53/69/60/570536960.db2.gz	VQRCURCQCZCJCS-AWEZNQCLSA-N	-1	0	388.345	4.962	50	30		GJEARM
COc1ccc(OC)c(/C=C/C(=O)c2cc(Br)cc(Cl)c2[O-])c1	ZINC000048057016	570654782	/nfs/dbraw/zinc/65/47/82/570654782.db2.gz	DSZGHHVLKZLGGS-HWKANZROSA-N	-1	0	397.652	4.721	50	30		GJEARM
O=C1c2sc(-c3ccccc3)nc2CC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000058291868	570724955	/nfs/dbraw/zinc/72/49/55/570724955.db2.gz	WNVQPBBNLLBMFZ-GXDHUFHOSA-N	-1	0	378.409	4.636	50	30		GJEARM
N#C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12	ZINC000001216680	570815000	/nfs/dbraw/zinc/81/50/00/570815000.db2.gz	OQONOPIMENPHMU-XUNZJTMSSA-N	-1	0	394.430	4.514	50	30		GJEARM
CCc1ccc(-n2c(O)c(C=Nc3cc(Cl)ccc3C)c(=O)[n-]c2=S)cc1	ZINC000101591519	570826842	/nfs/dbraw/zinc/82/68/42/570826842.db2.gz	VIBCHIQALBQLDJ-SSDVNMTOSA-N	-1	0	399.903	4.876	50	30		GJEARM
O=C([O-])c1ccc(/C=C2/N=C(SCc3ccccc3Cl)SC2=O)cc1	ZINC000002114274	570951884	/nfs/dbraw/zinc/95/18/84/570951884.db2.gz	NBNKAYHAZYKZRY-OQLLNIDSSA-N	-1	0	389.885	4.942	50	30		GJEARM
[O-]c1c(Br)cc(Cl)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000252594047	571002902	/nfs/dbraw/zinc/00/29/02/571002902.db2.gz	BOVJGEWEZDCKSC-UHFFFAOYSA-N	-1	0	382.670	4.864	50	30		GJEARM
O=C(Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1)c1ccco1	ZINC000000910262	212194196	/nfs/dbraw/zinc/19/41/96/212194196.db2.gz	QOFJUTUMRWXYSE-KEBDBYFISA-N	-1	0	385.763	4.550	50	30		GJEARM
C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(F)cc3)o2)C(=O)[O-])cc1	ZINC000006293487	212080476	/nfs/dbraw/zinc/08/04/76/212080476.db2.gz	KTPDSNUAAVNAJR-ATVHPVEESA-N	-1	0	398.415	4.658	50	30		GJEARM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1[O-]	ZINC000000711933	206319244	/nfs/dbraw/zinc/31/92/44/206319244.db2.gz	ZTIJVYCHSXJDHZ-LSHDLFTRSA-N	-1	0	394.774	4.908	50	30		GJEARM
C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000101231676	208389343	/nfs/dbraw/zinc/38/93/43/208389343.db2.gz	QOLRSDIYXNEOHV-JBCNATCCSA-N	-1	0	375.468	4.726	50	30		GJEARM
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2C1	ZINC000017077061	221375878	/nfs/dbraw/zinc/37/58/78/221375878.db2.gz	SLLIMDPWZIWDTH-OLZOCXBDSA-N	-1	0	376.522	4.600	50	30		GJEARM
N#Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1	ZINC000064797810	222081915	/nfs/dbraw/zinc/08/19/15/222081915.db2.gz	QKELXDFIPODNSW-OAHLLOKOSA-N	-1	0	392.411	4.598	50	30		GJEARM
COC(=O)c1cccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1C	ZINC000004742981	534252702	/nfs/dbraw/zinc/25/27/02/534252702.db2.gz	JZBFMZAOSBWKES-FSJBWODESA-N	-1	0	377.396	4.799	50	30		GJEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3ccccc3F)o2)s1	ZINC000040129889	525482416	/nfs/dbraw/zinc/48/24/16/525482416.db2.gz	GXIKBIVHFOVLPU-UHFFFAOYSA-N	-1	0	393.461	4.734	50	30		GJEARM
O=C([O-])c1cc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl	ZINC000012354335	570378623	/nfs/dbraw/zinc/37/86/23/570378623.db2.gz	WVSDRUBWSMQKSK-KEBDBYFISA-N	-1	0	385.763	4.652	50	30		GJEARM
Cc1nc2cc(/N=C/c3cccc([N+](=O)[O-])c3[O-])ccc2n1Cc1ccccc1	ZINC000005490996	570442219	/nfs/dbraw/zinc/44/22/19/570442219.db2.gz	HDISJIQXNHTUGC-YDZHTSKRSA-N	-1	0	386.411	4.757	50	30		GJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)c1	ZINC000005932605	570500650	/nfs/dbraw/zinc/50/06/50/570500650.db2.gz	PTDFLEWFNVACPW-DJKKODMXSA-N	-1	0	379.272	4.805	50	30		GJEARM
CCCCCCCCCCCCNC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000008435510	570531480	/nfs/dbraw/zinc/53/14/80/570531480.db2.gz	IVYDNUSCQJCDGX-UHFFFAOYSA-N	-1	0	386.536	4.895	50	30		GJEARM
Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)c(C(=O)[O-])c3)N(C)C2=O)s1	ZINC000005795619	570691246	/nfs/dbraw/zinc/69/12/46/570691246.db2.gz	WFMHHJJPINBCDW-ZOBMXMCISA-N	-1	0	392.889	4.642	50	30		GJEARM
C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000101247109	570817694	/nfs/dbraw/zinc/81/76/94/570817694.db2.gz	DKGPZKHWDJYAMG-GROYHEBESA-N	-1	0	388.250	4.601	50	30		GJEARM
Cc1c(Cl)cccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1	ZINC000252460496	570959938	/nfs/dbraw/zinc/95/99/38/570959938.db2.gz	FWMPEJHGUDUCQN-UHFFFAOYSA-N	-1	0	388.858	4.867	50	30		GJEARM
N#Cc1c(=O)[n-]c(-c2ccc(Br)cc2)cc1-c1ccc(Cl)cc1	ZINC000001403325	570982320	/nfs/dbraw/zinc/98/23/20/570982320.db2.gz	YIRBFYOLZAXMLQ-UHFFFAOYSA-N	-1	0	385.648	4.996	50	30		GJEARM
C=CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002383938	570989119	/nfs/dbraw/zinc/98/91/19/570989119.db2.gz	UAOCBDJIBBTOBI-NRFANRHFSA-N	-1	0	379.456	4.725	50	30		GJEARM
CC(=O)c1ccc(N=Cc2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)cc1	ZINC000002202151	571001111	/nfs/dbraw/zinc/00/11/11/571001111.db2.gz	NQCPNZLPSVJKNC-SSDVNMTOSA-N	-1	0	378.384	4.879	50	30		GJEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(C)c1C	ZINC000252616658	571018250	/nfs/dbraw/zinc/01/82/50/571018250.db2.gz	KCYJGJVFAAFWJA-UHFFFAOYSA-N	-1	0	389.484	4.618	50	30		GJEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1	ZINC000000711019	206319078	/nfs/dbraw/zinc/31/90/78/206319078.db2.gz	PPVVPUYJHGCWEF-SSDVNMTOSA-N	-1	0	377.331	4.998	50	30		GJEARM
CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC(=O)[O-])n2)cc1	ZINC000000796135	206322187	/nfs/dbraw/zinc/32/21/87/206322187.db2.gz	AKECOMMWDFICFB-UHFFFAOYSA-N	-1	0	396.390	4.605	50	30		GJEARM
COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1CSCC(=O)[O-]	ZINC000007913157	206730162	/nfs/dbraw/zinc/73/01/62/206730162.db2.gz	ZPQKHPPTAZSSDT-SOFGYWHQSA-N	-1	0	376.861	4.563	50	30		GJEARM
COc1ccc(-c2cc(-c3ccc4ccccc4c3)[n-]c(=O)c2C#N)cc1OC	ZINC000015932391	221352934	/nfs/dbraw/zinc/35/29/34/221352934.db2.gz	PNWWDCWZEKHZKW-UHFFFAOYSA-N	-1	0	382.419	4.751	50	30		GJEARM
Cc1nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])ccc2n1Cc1ccccc1	ZINC000013756583	527114363	/nfs/dbraw/zinc/11/43/63/527114363.db2.gz	AROWRXXAWPNFSD-YDZHTSKRSA-N	-1	0	386.411	4.757	50	30		GJEARM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1cc(Br)ccc1F	ZINC000006208392	570471914	/nfs/dbraw/zinc/47/19/14/570471914.db2.gz	HDBJOAUWNNLMOD-DJKKODMXSA-N	-1	0	391.269	4.700	50	30		GJEARM
S=c1[n-]nc(-c2ccccc2Br)n1N=Cc1ccccc1Cl	ZINC000006258475	570474400	/nfs/dbraw/zinc/47/44/00/570474400.db2.gz	SYLWUKYRWMBSQY-GIJQJNRQSA-N	-1	0	393.697	4.906	50	30		GJEARM
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C#N)C1	ZINC000005383709	570570491	/nfs/dbraw/zinc/57/04/91/570570491.db2.gz	KWCGJTBHOVISKH-YUELXQCFSA-N	-1	0	388.533	4.600	50	30		GJEARM
Cc1nc2cc(/N=C\c3cc([N+](=O)[O-])ccc3[O-])ccc2n1Cc1ccccc1	ZINC000004725870	570878033	/nfs/dbraw/zinc/87/80/33/570878033.db2.gz	AROWRXXAWPNFSD-QRVIBDJDSA-N	-1	0	386.411	4.757	50	30		GJEARM
Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1nc2ccccc2c(-c2ccccc2)n1	ZINC000046085377	571022377	/nfs/dbraw/zinc/02/23/77/571022377.db2.gz	UTJNJRAHXFIAGQ-UHFFFAOYSA-N	-1	0	393.450	4.682	50	30		GJEARM