smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C(=O)/C=C\c2cc(O)c([O-])c(Cl)c2)cc(OC)c1OC	ZINC000207864905	934517713	/nfs/dbraw/zinc/51/77/13/934517713.db2.gz	SZJWKDVWKKBRNR-PLNGDYQASA-N	-1	1	364.781	3.673	50	30		FHEAMM
N#CCCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cccc(Cl)c2)n1	ZINC000009721237	203992437	/nfs/dbraw/zinc/99/24/37/203992437.db2.gz	HZXXTZKQYDAHAC-JYRVWZFOSA-N	-1	1	374.878	3.606	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1ccccc1	ZINC000005888569	204229105	/nfs/dbraw/zinc/22/91/05/204229105.db2.gz	XKZCGFUZTXRXIQ-INIZCTEOSA-N	-1	1	362.410	3.926	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000005888515	204229979	/nfs/dbraw/zinc/22/99/79/204229979.db2.gz	XKZCGFUZTXRXIQ-MRXNPFEDSA-N	-1	1	362.410	3.926	50	30		FHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1	ZINC000006328795	204244657	/nfs/dbraw/zinc/24/46/57/204244657.db2.gz	MUFKJPXDTJSECB-UHFFFAOYSA-N	-1	1	358.753	3.614	50	30		FHEAMM
CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000057878129	205246515	/nfs/dbraw/zinc/24/65/15/205246515.db2.gz	VTWLZJNCEFUYFH-KRWDZBQOSA-N	-1	1	365.385	3.510	50	30		FHEAMM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccs2)no1	ZINC000102712351	570837270	/nfs/dbraw/zinc/83/72/70/570837270.db2.gz	IUOOHRJWGMVCEK-IBOXJLQUSA-N	-1	1	366.398	3.671	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccs2)no1	ZINC000102712351	570837271	/nfs/dbraw/zinc/83/72/71/570837271.db2.gz	IUOOHRJWGMVCEK-IBOXJLQUSA-N	-1	1	366.398	3.671	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(F)c1)c1ccccc1	ZINC000102801242	570838960	/nfs/dbraw/zinc/83/89/60/570838960.db2.gz	UOJKPWUROUAEFY-WOOAAIBNSA-N	-1	1	374.371	3.847	50	30		FHEAMM
COc1ccccc1C([O-])=Cc1nc2ccc(C(F)(F)F)cc2[nH]c1=O	ZINC000016228363	570852524	/nfs/dbraw/zinc/85/25/24/570852524.db2.gz	AGNVAAXYTYNXJD-ZROIWOOFSA-N	-1	1	362.307	3.845	50	30		FHEAMM
Cc1ccc([C@@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)o1	ZINC000033810062	571066676	/nfs/dbraw/zinc/06/66/76/571066676.db2.gz	IAZAIVNPYVXZRK-HNNXBMFYSA-N	-1	1	371.462	3.736	50	30		FHEAMM
CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2C1	ZINC000095960940	571333064	/nfs/dbraw/zinc/33/30/64/571333064.db2.gz	UUUVVPKZCXHLIL-UHFFFAOYSA-N	-1	1	369.490	3.783	50	30		FHEAMM
CC([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C)[nH]n1	ZINC000100314770	929402902	/nfs/dbraw/zinc/40/29/02/929402902.db2.gz	UYIXQQPGWUSDJI-YWEYNIOJSA-N	-1	1	366.208	3.747	50	30		FHEAMM
COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Br)c1)CO2	ZINC000024360280	940946363	/nfs/dbraw/zinc/94/63/63/940946363.db2.gz	FJJLKFUGCVFQBU-IZZDOVSWSA-N	-1	1	361.191	3.822	50	30		FHEAMM
C=CCSc1nnc([N-]C(=O)c2nc(SCC)ncc2Cl)s1	ZINC000002890907	204066335	/nfs/dbraw/zinc/06/63/35/204066335.db2.gz	YHXDDMUMJBSSBV-UHFFFAOYSA-N	-1	1	373.916	3.624	50	30		FHEAMM
O=[N+]([O-])c1ccc(NN=Cc2c([O-])ccc3cc([N+](=O)[O-])ccc32)cc1	ZINC000003898343	204114764	/nfs/dbraw/zinc/11/47/64/204114764.db2.gz	KOBBWTSRUKXRQN-VCHYOVAHSA-N	-1	1	352.306	3.808	50	30		FHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000005860904	204228664	/nfs/dbraw/zinc/22/86/64/204228664.db2.gz	OQQDJNIOYLDCOW-CQSZACIVSA-N	-1	1	373.503	3.896	50	30		FHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2	ZINC000005923963	204231470	/nfs/dbraw/zinc/23/14/70/204231470.db2.gz	NOUISZWNQOUCIT-HNNXBMFYSA-N	-1	1	367.474	3.837	50	30		FHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000005923834	204231601	/nfs/dbraw/zinc/23/16/01/204231601.db2.gz	LYVFGKJTONQQQX-CQSZACIVSA-N	-1	1	373.503	3.898	50	30		FHEAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000009228253	204359875	/nfs/dbraw/zinc/35/98/75/204359875.db2.gz	LHOSWADKBLBUHW-UHFFFAOYSA-N	-1	1	367.430	3.885	50	30		FHEAMM
CCCCCCCOC(=O)[C@H](C#N)[C@@H](c1c(C)[n-][nH]c1=O)c1ccccc1	ZINC000195533627	206332077	/nfs/dbraw/zinc/33/20/77/206332077.db2.gz	YQUYDXZBSKSRRB-QRVBRYPASA-N	-1	1	369.465	3.545	50	30		FHEAMM
COc1ccc(N=NC(=NNc2nc(C)cc(=O)[n-]2)c2ccccc2)cc1	ZINC000004730338	263336650	/nfs/dbraw/zinc/33/66/50/263336650.db2.gz	JDLDAYFFQWZFRI-KEHXRJDYSA-N	-1	1	362.393	3.645	50	30		FHEAMM
COc1ccccc1N=NC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1	ZINC000009136268	263359453	/nfs/dbraw/zinc/35/94/53/263359453.db2.gz	KPRDRWYTLOOYSO-KEHXRJDYSA-N	-1	1	362.393	3.645	50	30		FHEAMM
CCCCCCCCCCCCCC(=O)c1c([O-])n(C)c(=O)[nH]c1=O	ZINC000070665231	519987832	/nfs/dbraw/zinc/98/78/32/519987832.db2.gz	BMEXQCJUKXZUGX-UHFFFAOYSA-N	-1	1	352.475	3.663	50	30		FHEAMM
CCc1nc(SCC(=O)c2ccc([O-])c(O)c2)c(C#N)c2c1CCCC2	ZINC000020120569	522410328	/nfs/dbraw/zinc/41/03/28/522410328.db2.gz	NSCBAAFUNDZPBU-UHFFFAOYSA-N	-1	1	368.458	3.781	50	30		FHEAMM
CCC(=O)Nc1ccc(NC(=O)C(=O)C=C([O-])c2ccc(C)cc2)cc1	ZINC000101355243	570818927	/nfs/dbraw/zinc/81/89/27/570818927.db2.gz	FNTPKYCNIWUNBB-PDGQHHTCSA-N	-1	1	352.390	3.607	50	30		FHEAMM
CCC(=O)Nc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(C)cc2)cc1	ZINC000101355243	570818928	/nfs/dbraw/zinc/81/89/28/570818928.db2.gz	FNTPKYCNIWUNBB-PDGQHHTCSA-N	-1	1	352.390	3.607	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)no1	ZINC000102805524	570838238	/nfs/dbraw/zinc/83/82/38/570838238.db2.gz	JGZUCISDUCPYFX-GHNGSUTGSA-N	-1	1	360.369	3.609	50	30		FHEAMM
[O-]c1c(O)cc(C=NNc2cccc3cccnc32)cc1Br	ZINC000032593006	571058591	/nfs/dbraw/zinc/05/85/91/571058591.db2.gz	RTWRAQKKOZEZJA-OCKHKDLRSA-N	-1	1	358.195	3.855	50	30		FHEAMM
O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc([O-])c(Br)c1	ZINC000022346469	571201813	/nfs/dbraw/zinc/20/18/13/571201813.db2.gz	MDMBHRSXXGPXID-JYRVWZFOSA-N	-1	1	367.268	3.657	50	30		FHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(F)c1	ZINC000096336098	571335490	/nfs/dbraw/zinc/33/54/90/571335490.db2.gz	SFZFHOQDHGYGTI-CQSZACIVSA-N	-1	1	370.361	3.658	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3F)s2)c(=O)o1	ZINC000102500434	942067561	/nfs/dbraw/zinc/06/75/61/942067561.db2.gz	QOFFQFORTBLQEZ-IWHGQQBYSA-N	-1	1	356.374	3.782	50	30		FHEAMM
CC(=O)[N-]C(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000002404023	204037168	/nfs/dbraw/zinc/03/71/68/204037168.db2.gz	IAWYJEAIMIZEHT-UHFFFAOYSA-N	-1	1	352.637	3.848	50	30		FHEAMM
O=C([O-])CC1SC(=Nc2ccc(Cl)cc2C(F)(F)F)NC1=O	ZINC000005630900	204218628	/nfs/dbraw/zinc/21/86/28/204218628.db2.gz	DNMRZNDKUVMIFG-MRVPVSSYSA-N	-1	1	352.721	3.893	50	30		FHEAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c(C)c2)on1	ZINC000064979666	205312890	/nfs/dbraw/zinc/31/28/90/205312890.db2.gz	VCXFSOLMNJYFON-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
COC(=O)C[C@H](c1ccccc1Cl)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218207333	206368311	/nfs/dbraw/zinc/36/83/11/206368311.db2.gz	CYLMULIHIBZPLB-CQSZACIVSA-N	-1	1	370.788	3.878	50	30		FHEAMM
CCC/C(=N/[O-])c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000022130666	263384781	/nfs/dbraw/zinc/38/47/81/263384781.db2.gz	IJWKJJRPTPLORE-JWGURIENSA-N	-1	1	372.421	3.943	50	30		FHEAMM
O=C(/C=C/c1ccco1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000060101651	527640224	/nfs/dbraw/zinc/64/02/24/527640224.db2.gz	UXRKEEQXWILITP-VAWYXSNFSA-N	-1	1	353.399	3.977	50	30		FHEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1cccc(O)c1	ZINC000102730784	570836976	/nfs/dbraw/zinc/83/69/76/570836976.db2.gz	DLTOLMPPPPBMLW-RICWVNQTSA-N	-1	1	350.403	3.598	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc(F)c1)c1ccccc1	ZINC000102801244	570839032	/nfs/dbraw/zinc/83/90/32/570839032.db2.gz	UOJKPWUROUAEFY-LFVOPCPISA-N	-1	1	374.371	3.847	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1ccccc1	ZINC000102858455	570840589	/nfs/dbraw/zinc/84/05/89/570840589.db2.gz	DMUGFGUHBBXARI-UYTDBDHRSA-N	-1	1	362.410	3.769	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccs2)no1	ZINC000016742377	570861576	/nfs/dbraw/zinc/86/15/76/570861576.db2.gz	NWRFJHZAFTUDKO-CQSZACIVSA-N	-1	1	372.427	3.889	50	30		FHEAMM
C=CCN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1=S	ZINC000001175410	571164817	/nfs/dbraw/zinc/16/48/17/571164817.db2.gz	MKZUQXYFATULBG-XFFZJAGNSA-N	-1	1	356.266	3.542	50	30		FHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1cccs1	ZINC000085376193	571233429	/nfs/dbraw/zinc/23/34/29/571233429.db2.gz	BUXMIEDECHMCOE-LBPRGKRZSA-N	-1	1	359.476	3.695	50	30		FHEAMM
C=CCN1C(=O)C(=Cc2cn(CCC)c3ccccc23)C(=O)[N-]C1=S	ZINC000002351818	571318627	/nfs/dbraw/zinc/31/86/27/571318627.db2.gz	OFOAVAZUCVLUQI-RVDMUPIBSA-N	-1	1	353.447	3.704	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccc(Cl)cc3)n2)c(=O)o1	ZINC000105640403	206008904	/nfs/dbraw/zinc/00/89/04/206008904.db2.gz	YCWNWTIWLGLHOX-MWWKQMNYSA-N	-1	1	373.817	3.692	50	30		FHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1	ZINC000003420097	206234741	/nfs/dbraw/zinc/23/47/41/206234741.db2.gz	GKISYASHRYZALB-UHFFFAOYSA-N	-1	1	364.426	3.938	50	30		FHEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	ZINC000001192351	570491096	/nfs/dbraw/zinc/49/10/96/570491096.db2.gz	IJBDSWPUQTWHLB-UHFFFAOYSA-N	-1	1	374.340	3.608	50	30		FHEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(OC(F)(F)F)cc2)cc1	ZINC000001192351	570491098	/nfs/dbraw/zinc/49/10/98/570491098.db2.gz	IJBDSWPUQTWHLB-UHFFFAOYSA-N	-1	1	374.340	3.608	50	30		FHEAMM
O=C1c2ccccc2N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1[O-]	ZINC000000651710	570874667	/nfs/dbraw/zinc/87/46/67/570874667.db2.gz	QXURFQSYEYFVLP-KRWDZBQOSA-N	-1	1	351.318	3.811	50	30	aggregator	FHEAMM
C=CCn1c2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2sc1=O	ZINC000046017732	570919547	/nfs/dbraw/zinc/91/95/47/570919547.db2.gz	VQBIWDCFEYREAJ-UHFFFAOYSA-N	-1	1	374.487	3.612	50	30		FHEAMM
C=CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)C(=O)[N-]C1=S	ZINC000001225831	571123574	/nfs/dbraw/zinc/12/35/74/571123574.db2.gz	ITKNEHFDKYUSHX-CPNJWEJPSA-N	-1	1	372.449	3.806	50	30		FHEAMM
C[C@H](OC(=O)C1=C([O-])COC1=Nc1ccccc1)c1ccccc1Cl	ZINC000006654286	571239530	/nfs/dbraw/zinc/23/95/30/571239530.db2.gz	JTSLYNWADJSWQC-LBPRGKRZSA-N	-1	1	357.793	3.867	50	30		FHEAMM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000007709691	571286138	/nfs/dbraw/zinc/28/61/38/571286138.db2.gz	NWWOJUOSBVYYGT-UHFFFAOYSA-N	-1	1	374.487	3.650	50	30		FHEAMM
Cc1cc([O-])c2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2c1	ZINC000032502251	571357750	/nfs/dbraw/zinc/35/77/50/571357750.db2.gz	XSSDJIYKZAYNHM-UHFFFAOYSA-N	-1	1	352.415	3.983	50	30		FHEAMM
[O-]c1cc(O)c(C=NNc2ccc3ccccc3n2)cc1Br	ZINC000004688457	204155592	/nfs/dbraw/zinc/15/55/92/204155592.db2.gz	SFWFIWURWQPPIH-GIJQJNRQSA-N	-1	1	358.195	3.855	50	30		FHEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccccn2)cc1	ZINC000004811882	204165929	/nfs/dbraw/zinc/16/59/29/204165929.db2.gz	GIMLPRYIRCIURM-KGENOOAVSA-N	-1	1	351.431	3.941	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)o1	ZINC000008914961	204348773	/nfs/dbraw/zinc/34/87/73/204348773.db2.gz	KJMIQYAJIUANBL-QGZVFWFLSA-N	-1	1	364.357	3.667	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C)cc2)no1	ZINC000008742648	204342237	/nfs/dbraw/zinc/34/22/37/204342237.db2.gz	KCZCTFMCOSOXKV-QGZVFWFLSA-N	-1	1	364.357	3.667	50	30		FHEAMM
CCOc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000036032844	205001312	/nfs/dbraw/zinc/00/13/12/205001312.db2.gz	IGUAOEMDUDOUQH-RQZCQDPDSA-N	-1	1	358.379	3.755	50	30		FHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)c1	ZINC000170609165	206272377	/nfs/dbraw/zinc/27/23/77/206272377.db2.gz	BUEOBTXEZRPNMP-UHFFFAOYSA-N	-1	1	374.425	3.902	50	30		FHEAMM
COC(=O)C[C@@H](c1ccccc1Cl)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218207404	206368613	/nfs/dbraw/zinc/36/86/13/206368613.db2.gz	CYLMULIHIBZPLB-AWEZNQCLSA-N	-1	1	370.788	3.878	50	30		FHEAMM
COc1cc(Br)c([O-])c(/C=N/Cc2ccc3c(c2)OCO3)c1	ZINC000100325213	570503024	/nfs/dbraw/zinc/50/30/24/570503024.db2.gz	OWGOSCPNXHIVLF-QGMBQPNBSA-N	-1	1	364.195	3.511	50	30		FHEAMM
CC(C)C(=O)Nc1cccc(NC(=O)C([O-])=CC(=O)c2ccc(F)cc2)c1	ZINC000101355131	570818947	/nfs/dbraw/zinc/81/89/47/570818947.db2.gz	AWLFRCZICTTZNH-WQRHYEAKSA-N	-1	1	370.380	3.684	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000102858452	570840560	/nfs/dbraw/zinc/84/05/60/570840560.db2.gz	DMUGFGUHBBXARI-IBOXJLQUSA-N	-1	1	362.410	3.769	50	30		FHEAMM
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cnc(SC)[n-]c1=O	ZINC000055575219	571059486	/nfs/dbraw/zinc/05/94/86/571059486.db2.gz	ASOKEVJYYZWDIU-WBVHZDCISA-N	-1	1	367.474	3.580	50	30		FHEAMM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000007709686	571286119	/nfs/dbraw/zinc/28/61/19/571286119.db2.gz	WMDNWCZLZDZQGV-UHFFFAOYSA-N	-1	1	365.476	3.783	50	30		FHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Br)c1)O2	ZINC000020519011	571330638	/nfs/dbraw/zinc/33/06/38/571330638.db2.gz	NNIOBXOAWGMBMW-SXGWCWSVSA-N	-1	1	374.234	3.833	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2	ZINC000004137555	204122813	/nfs/dbraw/zinc/12/28/13/204122813.db2.gz	MEXBKIYCXWUGLD-HNNXBMFYSA-N	-1	1	369.446	3.514	50	30		FHEAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1	ZINC000064837763	205305329	/nfs/dbraw/zinc/30/53/29/205305329.db2.gz	ZZKJDNLEXKSUKX-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
CSC(=NC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1	ZINC000018024190	525285504	/nfs/dbraw/zinc/28/55/04/525285504.db2.gz	CGAMNSKIHXUDMK-UHFFFAOYSA-N	-1	1	358.419	3.969	50	30		FHEAMM
O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc([O-])c(Br)c1	ZINC000096121209	527040407	/nfs/dbraw/zinc/04/04/07/527040407.db2.gz	MDMBHRSXXGPXID-MDWZMJQESA-N	-1	1	367.268	3.657	50	30		FHEAMM
C=CCn1c(=S)[n-]nc1-c1csc(-c2ccc(OC)c(OC)c2)n1	ZINC000005703643	570823695	/nfs/dbraw/zinc/82/36/95/570823695.db2.gz	IUEULVSCJUDJBL-UHFFFAOYSA-N	-1	1	360.464	3.934	50	30		FHEAMM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1	ZINC000000847814	571093137	/nfs/dbraw/zinc/09/31/37/571093137.db2.gz	TWRBMNAHAUGVAX-FBCYGCLPSA-N	-1	1	350.256	3.946	50	30		FHEAMM
C=CCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S	ZINC000012343670	571118032	/nfs/dbraw/zinc/11/80/32/571118032.db2.gz	MKZUQXYFATULBG-YRNVUSSQSA-N	-1	1	356.266	3.542	50	30		FHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)c1	ZINC000022959499	571145968	/nfs/dbraw/zinc/14/59/68/571145968.db2.gz	SOUDLKLEWXRFGH-UHFFFAOYSA-N	-1	1	364.451	3.820	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1F)CC(=O)N2	ZINC000670416135	571336798	/nfs/dbraw/zinc/33/67/98/571336798.db2.gz	OVTAXZYUOCKKKY-SNVBAGLBSA-N	-1	1	365.817	3.727	50	30		FHEAMM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ncccn2)cc1	ZINC000004311690	204130662	/nfs/dbraw/zinc/13/06/62/204130662.db2.gz	YNELJTRIIVOXHH-SFHVURJKSA-N	-1	1	371.396	3.568	50	30		FHEAMM
CC(N=Nc1ccc(S(=O)(=O)[O-])cc1)c1cccc(Br)c1	ZINC000004955518	204179744	/nfs/dbraw/zinc/17/97/44/204179744.db2.gz	MZNYTYILNTYYKL-MHWRWJLKSA-N	-1	1	369.240	3.532	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000006002256	204233151	/nfs/dbraw/zinc/23/31/51/204233151.db2.gz	TWPVEUOFWSDPLU-ZDUSSCGKSA-N	-1	1	359.476	3.508	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000006001774	204233265	/nfs/dbraw/zinc/23/32/65/204233265.db2.gz	TWPVEUOFWSDPLU-CYBMUJFWSA-N	-1	1	359.476	3.508	50	30		FHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(/C=C/c3ccccn3)c2)cc1	ZINC000007054622	204288509	/nfs/dbraw/zinc/28/85/09/204288509.db2.gz	UXMHSUIERVPCAB-JXMROGBWSA-N	-1	1	361.426	3.924	50	30		FHEAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)o1	ZINC000009807733	204383275	/nfs/dbraw/zinc/38/32/75/204383275.db2.gz	MFFJQSFJMIPYDK-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
CCOc1cccc(/C=N\[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000032573574	521316210	/nfs/dbraw/zinc/31/62/10/521316210.db2.gz	QCLUBDJCSSBMHG-ZDLGFXPLSA-N	-1	1	373.261	3.705	50	30		FHEAMM
Cc1nc(NC(=NC(=O)c2ccccc2)Nc2ccccc2)[n-]c(=O)c1C	ZINC000018208858	570876866	/nfs/dbraw/zinc/87/68/66/570876866.db2.gz	UARTVMQNEPFXLB-UHFFFAOYSA-N	-1	1	361.405	3.519	50	30		FHEAMM
O=C(CCCc1nc(-c2cccs2)no1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000048312106	570944265	/nfs/dbraw/zinc/94/42/65/570944265.db2.gz	DAXKENSXJVVWPM-UHFFFAOYSA-N	-1	1	372.332	3.546	50	30		FHEAMM
Cc1nc(COc2ccc(/C=C3/CCc4cc([O-])ccc4C3=O)cc2)no1	ZINC000084281390	571080458	/nfs/dbraw/zinc/08/04/58/571080458.db2.gz	PDDZAFPGDDPTHA-YBEGLDIGSA-N	-1	1	362.385	3.875	50	30		FHEAMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000009356420	571106081	/nfs/dbraw/zinc/10/60/81/571106081.db2.gz	FJSPVYUOGFJKEE-UHFFFAOYSA-N	-1	1	368.252	3.815	50	30		FHEAMM
O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1[O-]	ZINC000015932733	571121364	/nfs/dbraw/zinc/12/13/64/571121364.db2.gz	KLGYIJPUSMOYKL-QGZVFWFLSA-N	-1	1	351.318	3.811	50	30		FHEAMM
C#Cc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000065474481	571263734	/nfs/dbraw/zinc/26/37/34/571263734.db2.gz	ASLMRHWDKAAFBZ-LLVKDONJSA-N	-1	1	354.460	3.850	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2	ZINC000008565367	204334982	/nfs/dbraw/zinc/33/49/82/204334982.db2.gz	SLFUHXUTAAWJDA-OAHLLOKOSA-N	-1	1	365.458	3.613	50	30		FHEAMM
COc1ccc(NC=C2C(=O)c3ccccc3O[C@@]2([O-])C(F)(F)F)cc1	ZINC000009060756	204353097	/nfs/dbraw/zinc/35/30/97/204353097.db2.gz	LABLDYRDMJRUTP-OOXMNIKJSA-N	-1	1	365.307	3.517	50	30		FHEAMM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1	ZINC000064837560	205306001	/nfs/dbraw/zinc/30/60/01/205306001.db2.gz	UXKDDCOUJOZDSB-UHFFFAOYSA-N	-1	1	367.430	3.939	50	30		FHEAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1	ZINC000064837745	205306666	/nfs/dbraw/zinc/30/66/66/205306666.db2.gz	DZVSXSFRFJODKZ-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1	ZINC000012541935	206294129	/nfs/dbraw/zinc/29/41/29/206294129.db2.gz	ABCPXVOMDVYKFV-UHFFFAOYSA-N	-1	1	350.237	3.540	50	30		FHEAMM
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc([O-])c2CN(C)C)C1=O	ZINC000020612417	206343426	/nfs/dbraw/zinc/34/34/26/206343426.db2.gz	FKXAMXHPWXNDIH-RBFBNPFJSA-N	-1	1	363.413	3.777	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccs1)c1ccccc1	ZINC000005813895	570636414	/nfs/dbraw/zinc/63/64/14/570636414.db2.gz	IOXGVXUFBAOZPS-QGZVFWFLSA-N	-1	1	362.410	3.926	50	30		FHEAMM
Cc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1NC(=O)C(F)(F)F	ZINC000002896043	571072054	/nfs/dbraw/zinc/07/20/54/571072054.db2.gz	XEQGXTPOCCSBRL-UHFFFAOYSA-N	-1	1	369.183	3.808	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000102616149	209238097	/nfs/dbraw/zinc/23/80/97/209238097.db2.gz	RARZYWLDHNMAHD-LFVOPCPISA-N	-1	1	374.371	3.847	50	30		FHEAMM
O=C(/C=C\c1cc(O)c([O-])c(Cl)c1)c1ccc(N2CCCC2=O)cc1	ZINC000096919954	209161305	/nfs/dbraw/zinc/16/13/05/209161305.db2.gz	CPLJBDYDXPNEBA-BAQGIRSFSA-N	-1	1	357.793	3.774	50	30		FHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000005923972	207123105	/nfs/dbraw/zinc/12/31/05/207123105.db2.gz	LYVFGKJTONQQQX-AWEZNQCLSA-N	-1	1	373.503	3.898	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000006693877	207153832	/nfs/dbraw/zinc/15/38/32/207153832.db2.gz	GBHPFGIYUIIVHZ-CQSZACIVSA-N	-1	1	371.437	3.586	50	30		FHEAMM
C=CCN(Cc1ccccc1OCC)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000055042053	518787417	/nfs/dbraw/zinc/78/74/17/518787417.db2.gz	UHBHUNQBYMENTF-UHFFFAOYSA-N	-1	1	363.417	3.563	50	30		FHEAMM
CCOC(=O)NC([N-]c1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F	ZINC000002937615	570544423	/nfs/dbraw/zinc/54/44/23/570544423.db2.gz	SGBHZCBHZWZBAW-UHFFFAOYSA-N	-1	1	366.208	3.944	50	30		FHEAMM
[O-]c1c(O)cc(C=NNc2cccc3cccnc32)cc1Br	ZINC000015018509	570830091	/nfs/dbraw/zinc/83/00/91/570830091.db2.gz	RTWRAQKKOZEZJA-DJKKODMXSA-N	-1	1	358.195	3.855	50	30		FHEAMM
O=C([O-])CC1S/C(=N\c2ccccc2)N(Cc2ccc(Cl)cc2)C1=O	ZINC000020508898	570919222	/nfs/dbraw/zinc/91/92/22/570919222.db2.gz	HMHRYCDVNOALJD-MEUCICPISA-N	-1	1	374.849	3.946	50	30		FHEAMM
O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc2cn[nH]c21	ZINC000048409151	570954544	/nfs/dbraw/zinc/95/45/44/570954544.db2.gz	QIDUCRAQMVIGHZ-UHFFFAOYSA-N	-1	1	370.217	3.563	50	30		FHEAMM
C=CCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)n[n-]c1=S	ZINC000005486918	571112005	/nfs/dbraw/zinc/11/20/05/571112005.db2.gz	VSWGXVBHKDNHEM-QMMMGPOBSA-N	-1	1	357.266	3.924	50	30		FHEAMM
C[C@H](C(=O)Nc1cccc(C#N)c1)n1c(-c2cccs2)n[n-]c1=S	ZINC000065478201	571263892	/nfs/dbraw/zinc/26/38/92/571263892.db2.gz	FKVXSOAIEOZXJA-SNVBAGLBSA-N	-1	1	355.448	3.741	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)o1	ZINC000105640068	209267589	/nfs/dbraw/zinc/26/75/89/209267589.db2.gz	OFVYMERWRCFUDH-XOWYPZSQSA-N	-1	1	356.761	3.828	50	30		FHEAMM
Cc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000004863920	207055122	/nfs/dbraw/zinc/05/51/22/207055122.db2.gz	YMYHSYDYLFVGSA-GOSISDBHSA-N	-1	1	360.369	3.766	50	30		FHEAMM
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000004863920	207055124	/nfs/dbraw/zinc/05/51/24/207055124.db2.gz	YMYHSYDYLFVGSA-GOSISDBHSA-N	-1	1	360.369	3.766	50	30		FHEAMM
CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC#N)c2)cc1	ZINC000011231340	521286603	/nfs/dbraw/zinc/28/66/03/521286603.db2.gz	KQGLOASXNNYONY-UHFFFAOYSA-N	-1	1	372.446	3.510	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)no1	ZINC000013570592	571108368	/nfs/dbraw/zinc/10/83/68/571108368.db2.gz	JINOZBDFMNSJNX-INIZCTEOSA-N	-1	1	366.398	3.827	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)no1	ZINC000005800555	571113408	/nfs/dbraw/zinc/11/34/08/571113408.db2.gz	PSAWGMSCKIJFMD-SFHVURJKSA-N	-1	1	360.369	3.766	50	30		FHEAMM
N#CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000007787039	571289003	/nfs/dbraw/zinc/28/90/03/571289003.db2.gz	LACJJSRZOXKKQZ-UHFFFAOYSA-N	-1	1	357.218	3.697	50	30		FHEAMM
COc1ccc(OC)c(C([O-])=CC(=O)C(=O)Nc2cc(C)cc(C)c2)c1	ZINC000096903411	209160368	/nfs/dbraw/zinc/16/03/68/209160368.db2.gz	OEZJYLRRMJKHKB-WQRHYEAKSA-N	-1	1	355.390	3.584	50	30		FHEAMM
COc1ccc(OC)c(C(=O)C=C([O-])C(=O)Nc2cc(C)cc(C)c2)c1	ZINC000096903411	209160370	/nfs/dbraw/zinc/16/03/70/209160370.db2.gz	OEZJYLRRMJKHKB-WQRHYEAKSA-N	-1	1	355.390	3.584	50	30		FHEAMM
O=C([O-])c1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1Cl	ZINC000006059542	207127841	/nfs/dbraw/zinc/12/78/41/207127841.db2.gz	ZWXHTQQYQOOBAS-GIJQJNRQSA-N	-1	1	358.810	3.841	50	30		FHEAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000009228255	207262485	/nfs/dbraw/zinc/26/24/85/207262485.db2.gz	NIUUJHWIKWNRNL-UHFFFAOYSA-N	-1	1	367.430	3.885	50	30		FHEAMM
[O-]c1ccc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1	ZINC000003151339	132384928	/nfs/dbraw/zinc/38/49/28/132384928.db2.gz	ZDQWPDIUCKURIP-XDHOZWIPSA-N	-1	1	361.239	3.742	50	30		FHEAMM
N#C/C(=N\[N-]c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000001037450	570473604	/nfs/dbraw/zinc/47/36/04/570473604.db2.gz	ISOSSLLNACOOEX-XMHGGMMESA-N	-1	1	354.218	3.716	50	30		FHEAMM
Cc1nc(N)sc1-c1cc(-c2ccc([O-])cc2Cl)c(C#N)c(N)n1	ZINC000071763365	570512016	/nfs/dbraw/zinc/51/20/16/570512016.db2.gz	OPMZIUTWPUQJKT-UHFFFAOYSA-N	-1	1	357.826	3.576	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3F)s2)c(=O)o1	ZINC000104572430	946278504	/nfs/dbraw/zinc/27/85/04/946278504.db2.gz	QOFFQFORTBLQEZ-XOWYPZSQSA-N	-1	1	356.374	3.782	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C)cc2)no1	ZINC000102804689	209242625	/nfs/dbraw/zinc/24/26/25/209242625.db2.gz	XTAONSKGADBKPX-GROYHEBESA-N	-1	1	364.357	3.511	50	30		FHEAMM
COc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000100288907	209212207	/nfs/dbraw/zinc/21/22/07/209212207.db2.gz	UOSWKGRDGWNSQT-LZYBPNLTSA-N	-1	1	351.156	3.822	50	30		FHEAMM
CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])c1ccc2c(c1)OCO2	ZINC000006917538	207177291	/nfs/dbraw/zinc/17/72/91/207177291.db2.gz	WYPSELZNTNGQEZ-UHFFFAOYSA-N	-1	1	366.373	3.980	50	30		FHEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2	ZINC000000959811	570466887	/nfs/dbraw/zinc/46/68/87/570466887.db2.gz	RJOSZZNTNIZXIU-CYBMUJFWSA-N	-1	1	373.865	3.710	50	30		FHEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018175781	570876010	/nfs/dbraw/zinc/87/60/10/570876010.db2.gz	SKXBCFPTJYNHPD-AWEZNQCLSA-N	-1	1	367.474	3.692	50	30		FHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1	ZINC000000974345	571140903	/nfs/dbraw/zinc/14/09/03/571140903.db2.gz	IPFSJOZBWTZJFN-QGZVFWFLSA-N	-1	1	362.410	3.926	50	30		FHEAMM
Cc1nn(C)c(C)c1-c1cc(-c2ccc([O-])cc2Cl)c(C#N)c(N)n1	ZINC000071614973	571140922	/nfs/dbraw/zinc/14/09/22/571140922.db2.gz	NMNMYZRTJQORTJ-UHFFFAOYSA-N	-1	1	353.813	3.579	50	30		FHEAMM
O=c1[nH]c2ccccc2c([O-])c1C=Nc1ccc(Cc2ccncc2)cc1	ZINC000207481982	571174602	/nfs/dbraw/zinc/17/46/02/571174602.db2.gz	UKXWDHYBOZDTFG-RGEXLXHISA-N	-1	1	355.397	3.803	50	30		FHEAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1sc(C)c(C)c1C#N	ZINC000002408113	571321466	/nfs/dbraw/zinc/32/14/66/571321466.db2.gz	JEAGREDTHDLLEI-NSIKDUERSA-N	-1	1	357.460	3.968	50	30		FHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1ccccc1	ZINC000008578830	207236514	/nfs/dbraw/zinc/23/65/14/207236514.db2.gz	ONGNCADZJOQNFG-CYBMUJFWSA-N	-1	1	353.447	3.633	50	30		FHEAMM
O=C1c2ccccc2N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1[O-]	ZINC000015932731	207575759	/nfs/dbraw/zinc/57/57/59/207575759.db2.gz	KLGYIJPUSMOYKL-KRWDZBQOSA-N	-1	1	351.318	3.811	50	30		FHEAMM
COc1cc(C(=O)/C=C/c2cc(O)c([O-])c(Cl)c2)cc(OC)c1OC	ZINC000008705532	522050146	/nfs/dbraw/zinc/05/01/46/522050146.db2.gz	SZJWKDVWKKBRNR-SNAWJCMRSA-N	-1	1	364.781	3.673	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccs2)no1	ZINC000016742376	570861385	/nfs/dbraw/zinc/86/13/85/570861385.db2.gz	NWRFJHZAFTUDKO-AWEZNQCLSA-N	-1	1	372.427	3.889	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(O)cc1)c1ccccc1	ZINC000018125829	570875803	/nfs/dbraw/zinc/87/58/03/570875803.db2.gz	LEAQTHKJEHODOF-IBGZPJMESA-N	-1	1	372.380	3.570	50	30		FHEAMM
C=CCn1c2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2sc1=O	ZINC000046017741	570919744	/nfs/dbraw/zinc/91/97/44/570919744.db2.gz	BEWLOLQPEAKYBK-UHFFFAOYSA-N	-1	1	374.487	3.667	50	30		FHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccc1	ZINC000001298352	571123748	/nfs/dbraw/zinc/12/37/48/571123748.db2.gz	LQURXTMSHVPTAA-UHFFFAOYSA-N	-1	1	367.430	3.517	50	30		FHEAMM
N#Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1Cl	ZINC000010514909	571127887	/nfs/dbraw/zinc/12/78/87/571127887.db2.gz	SJEDLEWSLRBQMG-UHFFFAOYSA-N	-1	1	371.643	3.775	50	30		FHEAMM
C/C(=N/N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(C2CCCCC2)cc1	ZINC000006157882	571138432	/nfs/dbraw/zinc/13/84/32/571138432.db2.gz	KYQDZXGCFSPFJL-IXGURIBZSA-N	-1	1	373.478	3.521	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)o1	ZINC000023718310	930109829	/nfs/dbraw/zinc/10/98/29/930109829.db2.gz	OFVYMERWRCFUDH-JHTBKMLMSA-N	-1	1	356.761	3.828	50	30		FHEAMM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccs2)no1	ZINC000102712353	209240771	/nfs/dbraw/zinc/24/07/71/209240771.db2.gz	IUOOHRJWGMVCEK-UYTDBDHRSA-N	-1	1	366.398	3.671	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)no1	ZINC000102712353	209240775	/nfs/dbraw/zinc/24/07/75/209240775.db2.gz	IUOOHRJWGMVCEK-UYTDBDHRSA-N	-1	1	366.398	3.671	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)no1	ZINC000102804967	209241887	/nfs/dbraw/zinc/24/18/87/209241887.db2.gz	WOBQVFUSKVFRSL-UYTDBDHRSA-N	-1	1	366.398	3.671	50	30		FHEAMM
Cc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000004863921	207055472	/nfs/dbraw/zinc/05/54/72/207055472.db2.gz	YMYHSYDYLFVGSA-SFHVURJKSA-N	-1	1	360.369	3.766	50	30		FHEAMM
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000004863921	207055476	/nfs/dbraw/zinc/05/54/76/207055476.db2.gz	YMYHSYDYLFVGSA-SFHVURJKSA-N	-1	1	360.369	3.766	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccccc2)cc1	ZINC000005800641	207117915	/nfs/dbraw/zinc/11/79/15/207117915.db2.gz	NMUPXGZROVNVQD-SFHVURJKSA-N	-1	1	371.396	3.568	50	30		FHEAMM
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2o1	ZINC000032097510	208026255	/nfs/dbraw/zinc/02/62/55/208026255.db2.gz	ZMMPZWNXDAXINX-UHFFFAOYSA-N	-1	1	355.419	3.798	50	30		FHEAMM
Cc1ccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)o1	ZINC000033810063	208101274	/nfs/dbraw/zinc/10/12/74/208101274.db2.gz	IAZAIVNPYVXZRK-OAHLLOKOSA-N	-1	1	371.462	3.736	50	30		FHEAMM
CCc1ccc(OCc2cc(C=Nn3cn[n-]c3=S)ccc2OC)cc1	ZINC000008483651	524006663	/nfs/dbraw/zinc/00/66/63/524006663.db2.gz	AJBHJJNCXWXQKK-SRZZPIQSSA-N	-1	1	368.462	3.973	50	30		FHEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2	ZINC000000959812	570467023	/nfs/dbraw/zinc/46/70/23/570467023.db2.gz	RJOSZZNTNIZXIU-ZDUSSCGKSA-N	-1	1	373.865	3.710	50	30		FHEAMM
COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1/C=N/[O-]	ZINC000013144016	570774616	/nfs/dbraw/zinc/77/46/16/570774616.db2.gz	UNAQNHWTEJDDIL-UDWIEESQSA-N	-1	1	367.430	3.927	50	30		FHEAMM
Cc1ccc([O-])c(C(=O)C2=CSc3nnc(-c4ccccc4)n3N=C2)c1	ZINC000075271051	571158821	/nfs/dbraw/zinc/15/88/21/571158821.db2.gz	OGUWYQCZVQLMCK-UHFFFAOYSA-N	-1	1	362.414	3.666	50	30		FHEAMM
N#Cc1ccc([N-]S(=O)(=O)c2cccc(COc3ccccc3)c2)cc1	ZINC000096182574	571334793	/nfs/dbraw/zinc/33/47/93/571334793.db2.gz	DZWIRRMZNRTZCX-UHFFFAOYSA-N	-1	1	364.426	3.938	50	30		FHEAMM
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1[O-]	ZINC000002749700	571340775	/nfs/dbraw/zinc/34/07/75/571340775.db2.gz	HXSMAQWZSDJORW-UHFFFAOYSA-N	-1	1	359.175	3.626	50	30		FHEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccccc3C)n2)n[n-]c1=S	ZINC000030688533	571347524	/nfs/dbraw/zinc/34/75/24/571347524.db2.gz	XYIBREAKUCFBOM-UHFFFAOYSA-N	-1	1	371.491	3.735	50	30		FHEAMM
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2o1	ZINC000032097509	571355759	/nfs/dbraw/zinc/35/57/59/571355759.db2.gz	AAVIWDVEFSHDPG-UHFFFAOYSA-N	-1	1	355.419	3.798	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)o1	ZINC000023718313	930109996	/nfs/dbraw/zinc/10/99/96/930109996.db2.gz	OFVYMERWRCFUDH-IWHGQQBYSA-N	-1	1	356.761	3.828	50	30		FHEAMM
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1N=Cc1cc(Cl)ccc1O	ZINC000102731012	209241475	/nfs/dbraw/zinc/24/14/75/209241475.db2.gz	YLVFELQILVMNLE-KAUTYAIWSA-N	-1	1	367.796	3.518	50	30		FHEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1ccccc1O	ZINC000102731117	209241325	/nfs/dbraw/zinc/24/13/25/209241325.db2.gz	MNACVOPBENBYIY-RICWVNQTSA-N	-1	1	350.403	3.598	50	30		FHEAMM
CCn1c2ccccc2c2nnc(N=NCc3cccc(Cl)c3[O-])nc21	ZINC000005004839	207070568	/nfs/dbraw/zinc/07/05/68/207070568.db2.gz	ZSCXWGYMDPISQY-KEBDBYFISA-N	-1	1	366.812	3.804	50	30		FHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2	ZINC000005923701	207123767	/nfs/dbraw/zinc/12/37/67/207123767.db2.gz	GNZLCANYRUZGKN-OAHLLOKOSA-N	-1	1	371.462	3.738	50	30		FHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1	ZINC000006602681	207149238	/nfs/dbraw/zinc/14/92/38/207149238.db2.gz	MUYORINBJDEGRN-UHFFFAOYSA-N	-1	1	358.753	3.614	50	30		FHEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1	ZINC000008608464	207239829	/nfs/dbraw/zinc/23/98/29/207239829.db2.gz	YHCHABWZJLVUEQ-UHFFFAOYSA-N	-1	1	365.414	3.891	50	30		FHEAMM
C=CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(C(C)C)s2)n1	ZINC000006748091	263346498	/nfs/dbraw/zinc/34/64/98/263346498.db2.gz	OWVPJQAXEJWJAG-UHFFFAOYSA-N	-1	1	355.876	3.635	50	30		FHEAMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1ccccc1	ZINC000005648649	522001846	/nfs/dbraw/zinc/00/18/46/522001846.db2.gz	GXMQVHBXYDODHC-YBFXNURJSA-N	-1	1	354.435	3.719	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2	ZINC000013139669	570774661	/nfs/dbraw/zinc/77/46/61/570774661.db2.gz	RCXLVYBBCZDNSA-HNNXBMFYSA-N	-1	1	367.474	3.755	50	30		FHEAMM
C=CCn1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2sc1=O	ZINC000046017777	570919774	/nfs/dbraw/zinc/91/97/74/570919774.db2.gz	WTVKOIYKNPGRAP-UHFFFAOYSA-N	-1	1	374.487	3.667	50	30		FHEAMM
COc1ccccc1/C=C/C=C1\Oc2c(ccc([O-])c2CN(C)C)C1=O	ZINC000013655790	571109732	/nfs/dbraw/zinc/10/97/32/571109732.db2.gz	RPRLTBCTIQEUEM-YZFGBBDKSA-N	-1	1	351.402	3.635	50	30		FHEAMM
CCCCCCCOC(=O)[C@H](C#N)[C@H](c1c(C)[n-][nH]c1=O)c1ccccc1	ZINC000195533625	571289645	/nfs/dbraw/zinc/28/96/45/571289645.db2.gz	YQUYDXZBSKSRRB-GUDVDZBRSA-N	-1	1	369.465	3.545	50	30		FHEAMM
Cc1nn(C)c2ncc(C(=O)Nc3cc(Cl)c(Cl)cc3[O-])cc12	ZINC000328591430	571323542	/nfs/dbraw/zinc/32/35/42/571323542.db2.gz	PXHKAYCYASONGT-UHFFFAOYSA-N	-1	1	351.193	3.925	50	30		FHEAMM
CCCCCCCCN1C(=O)/C(=C\c2ccsc2)C(=O)[N-]C1=S	ZINC000103009923	934915010	/nfs/dbraw/zinc/91/50/10/934915010.db2.gz	GJOZYSKPYRYWJA-KAMYIIQDSA-N	-1	1	350.509	3.735	50	30		FHEAMM
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(F)c2[O-])C1=O	ZINC000036257396	208151124	/nfs/dbraw/zinc/15/11/24/208151124.db2.gz	LAYDBERTOOQHKH-GXDHUFHOSA-N	-1	1	371.389	3.685	50	30		FHEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)o1	ZINC000013003406	570772156	/nfs/dbraw/zinc/77/21/56/570772156.db2.gz	KJMIQYAJIUANBL-KRWDZBQOSA-N	-1	1	364.357	3.667	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)o1	ZINC000013003406	570772159	/nfs/dbraw/zinc/77/21/59/570772159.db2.gz	KJMIQYAJIUANBL-KRWDZBQOSA-N	-1	1	364.357	3.667	50	30		FHEAMM
COC(=O)c1nn(-c2ccccc2)c(Sc2ccccc2)c1/C=N/[O-]	ZINC000013143112	570774706	/nfs/dbraw/zinc/77/47/06/570774706.db2.gz	WLVSPXRZTCKCPO-XDHOZWIPSA-N	-1	1	353.403	3.618	50	30		FHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cccs1	ZINC000002265370	571124687	/nfs/dbraw/zinc/12/46/87/571124687.db2.gz	UEWCKGKRVKIHNI-UHFFFAOYSA-N	-1	1	373.459	3.579	50	30		FHEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(C)cc3)n2)n[n-]c1=S	ZINC000012823860	571125017	/nfs/dbraw/zinc/12/50/17/571125017.db2.gz	MMMWDOAOIYJTBX-UHFFFAOYSA-N	-1	1	371.491	3.735	50	30		FHEAMM
CCCC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000010434972	571126787	/nfs/dbraw/zinc/12/67/87/571126787.db2.gz	YWHHFBPZAPMLOC-UXBLZVDNSA-N	-1	1	353.374	3.725	50	30		FHEAMM
Cc1ccc(-c2n[nH]c(NC(=O)C3=NO[C@H](c4ccccc4)C3)n2)s1	ZINC000058228368	571129919	/nfs/dbraw/zinc/12/99/19/571129919.db2.gz	GHPFVNSLLPQZRO-ZDUSSCGKSA-N	-1	1	353.407	3.947	50	30		FHEAMM
C=CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCC)s2)n1	ZINC000006748096	571244676	/nfs/dbraw/zinc/24/46/76/571244676.db2.gz	SDNCBLJUKFIGOY-UHFFFAOYSA-N	-1	1	373.916	3.624	50	30		FHEAMM
C=CCN1C(=O)C(=Cc2ccc3c(c2)CCN3CCCC)C(=O)[N-]C1=S	ZINC000002383070	571320971	/nfs/dbraw/zinc/32/09/71/571320971.db2.gz	NDBSGLLGTLURPX-DTQAZKPQSA-N	-1	1	369.490	3.502	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3F)s2)c(=O)o1	ZINC000104572424	946278669	/nfs/dbraw/zinc/27/86/69/946278669.db2.gz	QOFFQFORTBLQEZ-POZKEBTKSA-N	-1	1	356.374	3.782	50	30		FHEAMM
CCOC(=O)C1=C(NC(=O)c2cnc(C)s2)[N-]c2ccccc2N=C1C	ZINC000058378519	212008215	/nfs/dbraw/zinc/00/82/15/212008215.db2.gz	DHBYXVNXLSQXBN-UHFFFAOYSA-N	-1	1	370.434	3.749	50	30		FHEAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1sc(C)c(C)c1C#N	ZINC000013511564	211038290	/nfs/dbraw/zinc/03/82/90/211038290.db2.gz	JEAGREDTHDLLEI-MKMNVTDBSA-N	-1	1	357.460	3.968	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)o1	ZINC000013208639	211027582	/nfs/dbraw/zinc/02/75/82/211027582.db2.gz	IIXWBMIYCIZVFB-OAHLLOKOSA-N	-1	1	370.386	3.729	50	30		FHEAMM
O=C(N=C([O-])Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	ZINC000001891126	210373878	/nfs/dbraw/zinc/37/38/78/210373878.db2.gz	ZNPLSGVNNLMLSV-UHFFFAOYSA-N	-1	1	368.155	3.935	50	30		FHEAMM
O=C([N-]C(=O)C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000001891126	210373881	/nfs/dbraw/zinc/37/38/81/210373881.db2.gz	ZNPLSGVNNLMLSV-UHFFFAOYSA-N	-1	1	368.155	3.935	50	30		FHEAMM
O=c1c2c3c(sc2ncn1/N=C/c1ccc([O-])c(Cl)c1)CCCC3	ZINC000000980688	210297080	/nfs/dbraw/zinc/29/70/80/210297080.db2.gz	ZGFLZIVVHNPXOM-DNTJNYDQSA-N	-1	1	359.838	3.578	50	30		FHEAMM
Cc1cc(-c2ccco2)c(C#N)c(SCC(=O)c2ccc([O-])c(O)c2)n1	ZINC000000859205	210282374	/nfs/dbraw/zinc/28/23/74/210282374.db2.gz	KWDOKIPEOQXMIR-UHFFFAOYSA-N	-1	1	366.398	3.908	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000100439925	222244223	/nfs/dbraw/zinc/24/42/23/222244223.db2.gz	YAUAALOIVRUZST-WOOAAIBNSA-N	-1	1	374.371	3.847	50	30		FHEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005130458	570621496	/nfs/dbraw/zinc/62/14/96/570621496.db2.gz	VAFZGOXVSNJVTP-ZDUSSCGKSA-N	-1	1	373.503	3.754	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)no1	ZINC000005800509	571113510	/nfs/dbraw/zinc/11/35/10/571113510.db2.gz	PSAWGMSCKIJFMD-GOSISDBHSA-N	-1	1	360.369	3.766	50	30		FHEAMM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1	ZINC000006262652	571168814	/nfs/dbraw/zinc/16/88/14/571168814.db2.gz	XGGUYIMRVZLSPF-VIFPVBQESA-N	-1	1	373.438	3.654	50	30		FHEAMM
N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000003076019	571344607	/nfs/dbraw/zinc/34/46/07/571344607.db2.gz	QLPYUALIKXSSMU-UHFFFAOYSA-N	-1	1	372.362	3.567	50	30		FHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2	ZINC000005860895	942315630	/nfs/dbraw/zinc/31/56/30/942315630.db2.gz	AWPVFTSSMYIHRD-OAHLLOKOSA-N	-1	1	367.474	3.835	50	30		FHEAMM
CCCCCCCOC(=O)[C@H](C#N)[C@@H](c1c(C)[n-][nH]c1=O)c1ccccc1	ZINC000102758773	222307680	/nfs/dbraw/zinc/30/76/80/222307680.db2.gz	YQUYDXZBSKSRRB-QYZOEREBSA-N	-1	1	369.465	3.545	50	30		FHEAMM
Clc1cc(Cl)c(OCc2ccccc2)c(CN=Nc2nn[n-]n2)c1	ZINC000006475200	570871875	/nfs/dbraw/zinc/87/18/75/570871875.db2.gz	XDTLMGXLYRXWMR-QGMBQPNBSA-N	-1	1	363.208	3.532	50	30		FHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1cccs1	ZINC000085376194	571233474	/nfs/dbraw/zinc/23/34/74/571233474.db2.gz	BUXMIEDECHMCOE-GFCCVEGCSA-N	-1	1	359.476	3.695	50	30		FHEAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)on1	ZINC000006887750	571253257	/nfs/dbraw/zinc/25/32/57/571253257.db2.gz	DNONZBQBHNNZBH-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
O=C([O-])c1ccccc1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1	ZINC000006059531	571274968	/nfs/dbraw/zinc/27/49/68/571274968.db2.gz	YQRRDRYSJXJXSB-GIJQJNRQSA-N	-1	1	358.810	3.841	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1F)CC(=O)N2	ZINC000670416134	571336774	/nfs/dbraw/zinc/33/67/74/571336774.db2.gz	OVTAXZYUOCKKKY-JTQLQIEISA-N	-1	1	365.817	3.727	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(SC(F)(F)F)cc2)c(=O)o1	ZINC000024061322	934593376	/nfs/dbraw/zinc/59/33/76/934593376.db2.gz	LDEFMJOLKUUEPU-BTKRWWFXSA-N	-1	1	356.321	3.527	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2)no1	ZINC000013570593	220074345	/nfs/dbraw/zinc/07/43/45/220074345.db2.gz	JINOZBDFMNSJNX-MRXNPFEDSA-N	-1	1	366.398	3.827	50	30		FHEAMM
CCCCc1c(C)nc(NN=Cc2c(F)c(F)c(F)c(F)c2F)[n-]c1=O	ZINC000016512860	211163230	/nfs/dbraw/zinc/16/32/30/211163230.db2.gz	WIQIVBLWGHXXDX-GEVRCRHISA-N	-1	1	374.313	3.562	50	30		FHEAMM
O=C([O-])c1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)cc1	ZINC000001478820	210355790	/nfs/dbraw/zinc/35/57/90/210355790.db2.gz	WPQXGTROOGCSLD-GIJQJNRQSA-N	-1	1	358.810	3.841	50	30		FHEAMM
C[C@@H](C(=O)Nc1cccc(C#N)c1)n1c(-c2cccs2)n[n-]c1=S	ZINC000065478198	221223893	/nfs/dbraw/zinc/22/38/93/221223893.db2.gz	FKVXSOAIEOZXJA-JTQLQIEISA-N	-1	1	355.448	3.741	50	30		FHEAMM
N#Cc1ccc([O-])c(-n2ccnc2-c2ccc(Oc3ncccn3)cc2)c1	ZINC000067724449	221276512	/nfs/dbraw/zinc/27/65/12/221276512.db2.gz	QWLFYNLJXNLDLD-UHFFFAOYSA-N	-1	1	355.357	3.699	50	30		FHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(F)c1	ZINC000096336099	222115962	/nfs/dbraw/zinc/11/59/62/222115962.db2.gz	SFZFHOQDHGYGTI-AWEZNQCLSA-N	-1	1	370.361	3.658	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)no1	ZINC000102888930	222311373	/nfs/dbraw/zinc/31/13/73/222311373.db2.gz	IAYVZBZKVMSPJY-WOOAAIBNSA-N	-1	1	374.396	3.918	50	30		FHEAMM
O=C1Nc2ccc(Cl)cc2C1=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000020823343	263382690	/nfs/dbraw/zinc/38/26/90/263382690.db2.gz	CCRLYGNWKOQAEH-UHFFFAOYSA-N	-1	1	361.701	3.574	50	30		FHEAMM
CCOc1ccc(C(=O)C=C([O-])C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000101355180	520871555	/nfs/dbraw/zinc/87/15/55/520871555.db2.gz	UXVDNJIVPSPZPG-WQRHYEAKSA-N	-1	1	370.361	3.565	50	30		FHEAMM
COc1cc(C=Nn2cn[n-]c2=S)ccc1OCc1ccccc1F	ZINC000005483437	522002156	/nfs/dbraw/zinc/00/21/56/522002156.db2.gz	XYWNAEZXVSRHED-AWQFTUOYSA-N	-1	1	358.398	3.550	50	30		FHEAMM
O=C(CCSc1nnc([N-][NH+]=C2CCCCC2)[n-]1)Nc1ccccc1	ZINC000020523238	526546106	/nfs/dbraw/zinc/54/61/06/526546106.db2.gz	QPLATZLKAYSFOS-UHFFFAOYSA-N	-1	1	358.471	3.658	50	30		FHEAMM
C[C@H](Oc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1)C(=O)[O-]	ZINC000215828857	568091086	/nfs/dbraw/zinc/09/10/86/568091086.db2.gz	JUTWYLUIILPASM-KRWDZBQOSA-N	-1	1	364.445	3.596	50	30		FHEAMM
O=C([O-])c1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1	ZINC000004907234	570612815	/nfs/dbraw/zinc/61/28/15/570612815.db2.gz	WBIHRTWMBHNUSL-LFVJCYFKSA-N	-1	1	373.456	3.690	50	30		FHEAMM
CCNc1c2ccccc2oc(=O)c1/N=C(\[O-])c1ccc2c(c1)OCO2	ZINC000006825045	571248253	/nfs/dbraw/zinc/24/82/53/571248253.db2.gz	GAYZKEADLPOZCU-UHFFFAOYSA-N	-1	1	352.346	3.590	50	30		FHEAMM
C=CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br	ZINC000004093726	210103424	/nfs/dbraw/zinc/10/34/24/210103424.db2.gz	BQECPZOGYWSGKG-XFFZJAGNSA-N	-1	1	356.266	3.503	50	30		FHEAMM
O=C([O-])CC1S/C(=N\c2ccccc2)N(Cc2ccc(Cl)cc2)C1=O	ZINC000020508895	211286440	/nfs/dbraw/zinc/28/64/40/211286440.db2.gz	HMHRYCDVNOALJD-ZJYNUGOYSA-N	-1	1	374.849	3.946	50	30		FHEAMM
CCOC(=O)NC([N-]c1ccc(C#N)cc1)(C(F)(F)F)C(F)(F)F	ZINC000003183343	210454442	/nfs/dbraw/zinc/45/44/42/210454442.db2.gz	JULDNSSXHRVJJF-UHFFFAOYSA-N	-1	1	355.238	3.537	50	30		FHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(/C=C\c3ccccn3)c2)cc1	ZINC000096742815	222129124	/nfs/dbraw/zinc/12/91/24/222129124.db2.gz	UXMHSUIERVPCAB-YFHOEESVSA-N	-1	1	361.426	3.924	50	30		FHEAMM
O=C(CCc1ncc(-c2ccccc2)o1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000012974020	570769100	/nfs/dbraw/zinc/76/91/00/570769100.db2.gz	CWPGJEXRGVEZRB-UHFFFAOYSA-N	-1	1	351.288	3.699	50	30		FHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2	ZINC000005923933	571168347	/nfs/dbraw/zinc/16/83/47/571168347.db2.gz	GNZLCANYRUZGKN-HNNXBMFYSA-N	-1	1	371.462	3.738	50	30		FHEAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C#N)c3)c2)on1	ZINC000006887752	571253129	/nfs/dbraw/zinc/25/31/29/571253129.db2.gz	QYMOWZDALIUNHW-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Br)O2	ZINC000020518297	210237362	/nfs/dbraw/zinc/23/73/62/210237362.db2.gz	DRURZKUHKFYNRJ-SXGWCWSVSA-N	-1	1	374.234	3.833	50	30		FHEAMM
CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OCCC	ZINC000016096008	211155296	/nfs/dbraw/zinc/15/52/96/211155296.db2.gz	IXCQQODKGKEQQW-UHFFFAOYSA-N	-1	1	374.462	3.937	50	30		FHEAMM
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc([O-])c2CN(C)C)C1=O	ZINC000020612415	220336558	/nfs/dbraw/zinc/33/65/58/220336558.db2.gz	FKXAMXHPWXNDIH-GHOUAXAESA-N	-1	1	363.413	3.777	50	30		FHEAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)c(C)c2)on1	ZINC000064979671	221160829	/nfs/dbraw/zinc/16/08/29/221160829.db2.gz	MJXNUIWUWQNTSR-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1	ZINC000096336100	222115763	/nfs/dbraw/zinc/11/57/63/222115763.db2.gz	TWVHAYVMYNHOJY-CQSZACIVSA-N	-1	1	370.361	3.658	50	30		FHEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1ccc(O)cc1	ZINC000102729436	222307150	/nfs/dbraw/zinc/30/71/50/222307150.db2.gz	LYLQIGGTDNMMJV-RICWVNQTSA-N	-1	1	350.403	3.598	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1cccc(F)c1)c1ccccc1	ZINC000104126583	222350520	/nfs/dbraw/zinc/35/05/20/222350520.db2.gz	NFQOZZXITLZMLG-LFVOPCPISA-N	-1	1	374.371	3.847	50	30		FHEAMM
CCCCCCCCCCCC([O-])=C1C(=O)CC[C@H](C(=O)OC)C1=O	ZINC000100740749	519983866	/nfs/dbraw/zinc/98/38/66/519983866.db2.gz	NNENEEZZPNGAFR-MAUKXSAKSA-N	-1	1	352.471	3.814	50	30		FHEAMM
CCCCCCCCCCCC(=O)C1=C([O-])CC[C@H](C(=O)OC)C1=O	ZINC000100740749	519983871	/nfs/dbraw/zinc/98/38/71/519983871.db2.gz	NNENEEZZPNGAFR-MAUKXSAKSA-N	-1	1	352.471	3.814	50	30		FHEAMM
Cc1ccccc1CSc1nc(N=NCc2cccc([N+](=O)[O-])c2)n[n-]1	ZINC000006318946	525186992	/nfs/dbraw/zinc/18/69/92/525186992.db2.gz	UNBCBNHTOCSQQZ-VCHYOVAHSA-N	-1	1	368.422	3.760	50	30		FHEAMM
C[C@@H](Oc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1)C(=O)[O-]	ZINC000215828903	568091107	/nfs/dbraw/zinc/09/11/07/568091107.db2.gz	JUTWYLUIILPASM-QGZVFWFLSA-N	-1	1	364.445	3.596	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccccc2)cc1	ZINC000005800689	570683754	/nfs/dbraw/zinc/68/37/54/570683754.db2.gz	NMUPXGZROVNVQD-GOSISDBHSA-N	-1	1	371.396	3.568	50	30		FHEAMM
COc1cccc(NC(=O)c2nc[n-]c2C(=O)Nc2ccccc2C)c1	ZINC000006460003	570979098	/nfs/dbraw/zinc/97/90/98/570979098.db2.gz	JQXLYXJNPQTMGG-UHFFFAOYSA-N	-1	1	350.378	3.999	50	30		FHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1	ZINC000006188347	571156441	/nfs/dbraw/zinc/15/64/41/571156441.db2.gz	NGNBJUGXFJGHJI-CQSZACIVSA-N	-1	1	352.371	3.519	50	30		FHEAMM
O=C1c2ccccc2N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1[O-]	ZINC000000651712	210258525	/nfs/dbraw/zinc/25/85/25/210258525.db2.gz	QXURFQSYEYFVLP-QGZVFWFLSA-N	-1	1	351.318	3.811	50	30	aggregator	FHEAMM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000007709641	210125895	/nfs/dbraw/zinc/12/58/95/210125895.db2.gz	KAWHBFZXVBUVIP-UHFFFAOYSA-N	-1	1	362.476	3.724	50	30		FHEAMM
C=CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000006589134	210108054	/nfs/dbraw/zinc/10/80/54/210108054.db2.gz	KYWZEGCQXILPKC-UHFFFAOYSA-N	-1	1	356.816	3.630	50	30		FHEAMM
COc1ccc(NC=C2C(=O)c3ccccc3O[C@]2([O-])C(F)(F)F)cc1	ZINC000009060755	210813963	/nfs/dbraw/zinc/81/39/63/210813963.db2.gz	LABLDYRDMJRUTP-QXSWTLKVSA-N	-1	1	365.307	3.517	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000102616143	222302006	/nfs/dbraw/zinc/30/20/06/222302006.db2.gz	RARZYWLDHNMAHD-WOOAAIBNSA-N	-1	1	374.371	3.847	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)cc2)no1	ZINC000102804692	222308676	/nfs/dbraw/zinc/30/86/76/222308676.db2.gz	XTAONSKGADBKPX-HVESIFNPSA-N	-1	1	364.357	3.511	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)o1	ZINC000102803868	222309354	/nfs/dbraw/zinc/30/93/54/222309354.db2.gz	ASLIIZSNVKRLJS-GROYHEBESA-N	-1	1	364.357	3.511	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1cccc(F)c1)c1ccccc1	ZINC000104126581	222350101	/nfs/dbraw/zinc/35/01/01/222350101.db2.gz	NFQOZZXITLZMLG-WOOAAIBNSA-N	-1	1	374.371	3.847	50	30		FHEAMM
CCCCCCCCCCCC([O-])=C1C(=O)CC[C@@H](C(=O)OC)C1=O	ZINC000100740752	519983997	/nfs/dbraw/zinc/98/39/97/519983997.db2.gz	NNENEEZZPNGAFR-QAPCUYQASA-N	-1	1	352.471	3.814	50	30		FHEAMM
CCCCCCCCCCCC(=O)C1=C([O-])CC[C@@H](C(=O)OC)C1=O	ZINC000100740752	519984004	/nfs/dbraw/zinc/98/40/04/519984004.db2.gz	NNENEEZZPNGAFR-QAPCUYQASA-N	-1	1	352.471	3.814	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2	ZINC000006002215	570640126	/nfs/dbraw/zinc/64/01/26/570640126.db2.gz	GSMKPBYGIPGJOD-AWEZNQCLSA-N	-1	1	371.437	3.586	50	30		FHEAMM
C=CCOc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O	ZINC000005377434	570650961	/nfs/dbraw/zinc/65/09/61/570650961.db2.gz	MLVVZKGAPNTNPW-XFFZJAGNSA-N	-1	1	356.266	3.503	50	30		FHEAMM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000007709650	210125835	/nfs/dbraw/zinc/12/58/35/210125835.db2.gz	ZSIXFARIAMJASK-UHFFFAOYSA-N	-1	1	363.460	3.537	50	30		FHEAMM
COc1ccc(NN=C(C)c2cc3c(C)cc(=O)oc3c(C)c2[O-])cc1	ZINC000096343766	222116585	/nfs/dbraw/zinc/11/65/85/222116585.db2.gz	OFLOQTZMGJVFJK-BKUYFWCQSA-N	-1	1	352.390	3.960	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000100439932	222244082	/nfs/dbraw/zinc/24/40/82/222244082.db2.gz	YAUAALOIVRUZST-LFVOPCPISA-N	-1	1	374.371	3.847	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)no1	ZINC000102805521	222308752	/nfs/dbraw/zinc/30/87/52/222308752.db2.gz	JGZUCISDUCPYFX-SELCWUDQSA-N	-1	1	360.369	3.609	50	30		FHEAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCCCC#N)c2)c1	ZINC000023076123	263386884	/nfs/dbraw/zinc/38/68/84/263386884.db2.gz	UVQYNQYOUXCRGW-UHFFFAOYSA-N	-1	1	372.446	3.565	50	30		FHEAMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1ccc(F)cc1	ZINC000005648646	522002886	/nfs/dbraw/zinc/00/28/86/522002886.db2.gz	PNDLRHQYDPKQBF-KEBDBYFISA-N	-1	1	372.425	3.858	50	30		FHEAMM
O=c1[n-]c(NN=Cc2ccncc2)nc2c1C1(CCCC1)Cc1ccccc1-2	ZINC000008771884	571061149	/nfs/dbraw/zinc/06/11/49/571061149.db2.gz	BSYRAHJTWSBQAU-ZVHZXABRSA-N	-1	1	371.444	3.646	50	30		FHEAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000002113234	571175501	/nfs/dbraw/zinc/17/55/01/571175501.db2.gz	BGXGLXLBOAJQDI-UHFFFAOYSA-N	-1	1	369.183	3.890	50	30		FHEAMM
CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000057878127	571345796	/nfs/dbraw/zinc/34/57/96/571345796.db2.gz	VTWLZJNCEFUYFH-QGZVFWFLSA-N	-1	1	365.385	3.510	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3F)s2)c(=O)o1	ZINC000102500439	939090228	/nfs/dbraw/zinc/09/02/28/939090228.db2.gz	QOFFQFORTBLQEZ-JHTBKMLMSA-N	-1	1	356.374	3.782	50	30		FHEAMM
C=CCOC(=O)c1cccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)c1	ZINC000012343859	210138683	/nfs/dbraw/zinc/13/86/83/210138683.db2.gz	XWSXWWBPYGVJDH-GDNBJRDFSA-N	-1	1	371.439	3.778	50	30		FHEAMM
C=CCn1c([C@H](NC(=O)c2ccccc2Cl)C(C)C)n[n-]c1=S	ZINC000005901837	210105530	/nfs/dbraw/zinc/10/55/30/210105530.db2.gz	IQYBKUYVPADGMM-CYBMUJFWSA-N	-1	1	350.875	3.907	50	30		FHEAMM
C=CCn1c([C@@H](NC(=O)c2ccccc2Cl)C(C)C)n[n-]c1=S	ZINC000005901795	210105007	/nfs/dbraw/zinc/10/50/07/210105007.db2.gz	IQYBKUYVPADGMM-ZDUSSCGKSA-N	-1	1	350.875	3.907	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)o1	ZINC000102803865	222308912	/nfs/dbraw/zinc/30/89/12/222308912.db2.gz	ASLIIZSNVKRLJS-HVESIFNPSA-N	-1	1	364.357	3.511	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccc(Cl)cc3)n2)c(=O)o1	ZINC000105640400	222372265	/nfs/dbraw/zinc/37/22/65/222372265.db2.gz	YCWNWTIWLGLHOX-WLMCBFPDSA-N	-1	1	373.817	3.692	50	30		FHEAMM
CCCCCCCCCCCC([O-])=C1C(=O)CC[C@H](C(=O)OC)C1=O	ZINC000100740750	519983225	/nfs/dbraw/zinc/98/32/25/519983225.db2.gz	NNENEEZZPNGAFR-YJBOKZPZSA-N	-1	1	352.471	3.814	50	30		FHEAMM
CCCCCCCCCCCC(=O)C1=C([O-])CC[C@H](C(=O)OC)C1=O	ZINC000100740750	519983227	/nfs/dbraw/zinc/98/32/27/519983227.db2.gz	NNENEEZZPNGAFR-YJBOKZPZSA-N	-1	1	352.471	3.814	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)cc2)no1	ZINC000008742649	570686679	/nfs/dbraw/zinc/68/66/79/570686679.db2.gz	KCZCTFMCOSOXKV-KRWDZBQOSA-N	-1	1	364.357	3.667	50	30		FHEAMM
CCc1c(C)sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C#N	ZINC000004719200	571168269	/nfs/dbraw/zinc/16/82/69/571168269.db2.gz	NUDDMMBDHWHOEH-UHFFFAOYSA-N	-1	1	360.351	3.559	50	30		FHEAMM
COc1ccc(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)cc1OC	ZINC000003189764	571279901	/nfs/dbraw/zinc/27/99/01/571279901.db2.gz	YKLNXOOVLLGTTO-VXLYETTFSA-N	-1	1	368.418	3.675	50	30		FHEAMM
O=C(/C=C/c1cc(Br)c2c(c1)OCOC2)c1ccc([O-])cc1	ZINC000004023355	571354089	/nfs/dbraw/zinc/35/40/89/571354089.db2.gz	QMWDWKGODJLISL-LZCJLJQNSA-N	-1	1	361.191	3.917	50	30	biogenic	FHEAMM
C=CCn1c(Cc2csc(NC(=O)CCCCC)n2)n[n-]c1=S	ZINC000012920289	220043097	/nfs/dbraw/zinc/04/30/97/220043097.db2.gz	IBXCLFKOJDLJAN-UHFFFAOYSA-N	-1	1	351.501	3.693	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2	ZINC000013139670	220059574	/nfs/dbraw/zinc/05/95/74/220059574.db2.gz	RCXLVYBBCZDNSA-OAHLLOKOSA-N	-1	1	367.474	3.755	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(O)cc1)c1ccccc1	ZINC000018063095	220221153	/nfs/dbraw/zinc/22/11/53/220221153.db2.gz	LEAQTHKJEHODOF-LJQANCHMSA-N	-1	1	372.380	3.570	50	30		FHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Br)cc1)O2	ZINC000020533356	220331915	/nfs/dbraw/zinc/33/19/15/220331915.db2.gz	KAJKZBLKVVOJQQ-SXGWCWSVSA-N	-1	1	374.234	3.833	50	30		FHEAMM
C#Cc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1	ZINC000022408977	220385708	/nfs/dbraw/zinc/38/57/08/220385708.db2.gz	GADJEBABMVIORE-UHFFFAOYSA-N	-1	1	362.458	3.926	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000102874313	222312200	/nfs/dbraw/zinc/31/22/00/222312200.db2.gz	QNKQKNXWQCIHQG-WOOAAIBNSA-N	-1	1	374.371	3.847	50	30		FHEAMM
COC(=O)C[C@H](c1ccc(F)c(F)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218257272	568224799	/nfs/dbraw/zinc/22/47/99/568224799.db2.gz	KDIPKYAWTYZYJO-CYBMUJFWSA-N	-1	1	372.323	3.503	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2	ZINC000004137556	570578454	/nfs/dbraw/zinc/57/84/54/570578454.db2.gz	MEXBKIYCXWUGLD-OAHLLOKOSA-N	-1	1	369.446	3.514	50	30		FHEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005130461	570621683	/nfs/dbraw/zinc/62/16/83/570621683.db2.gz	VAFZGOXVSNJVTP-CYBMUJFWSA-N	-1	1	373.503	3.754	50	30		FHEAMM
C/C(=N/N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(C2CCCCC2)cc1	ZINC000006157883	571138453	/nfs/dbraw/zinc/13/84/53/571138453.db2.gz	KYQDZXGCFSPFJL-YQODDJSKSA-N	-1	1	373.478	3.521	50	30		FHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c1	ZINC000075106941	571155346	/nfs/dbraw/zinc/15/53/46/571155346.db2.gz	NDOZKZFHVICCIH-UHFFFAOYSA-N	-1	1	352.419	3.503	50	30		FHEAMM
C[C@@H](OC(=O)C1=C([O-])COC1=Nc1ccccc1)c1ccccc1Cl	ZINC000006654287	571239547	/nfs/dbraw/zinc/23/95/47/571239547.db2.gz	JTSLYNWADJSWQC-GFCCVEGCSA-N	-1	1	357.793	3.867	50	30		FHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2	ZINC000005861017	942315942	/nfs/dbraw/zinc/31/59/42/942315942.db2.gz	AWPVFTSSMYIHRD-HNNXBMFYSA-N	-1	1	367.474	3.835	50	30		FHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1	ZINC000000974344	219348944	/nfs/dbraw/zinc/34/89/44/219348944.db2.gz	IPFSJOZBWTZJFN-KRWDZBQOSA-N	-1	1	362.410	3.926	50	30		FHEAMM
C=CCN1C(=O)[C@]([N-]c2ncccc2C)(C(F)(F)F)N=C1c1ccccc1	ZINC000020676359	220339611	/nfs/dbraw/zinc/33/96/11/220339611.db2.gz	RKRWPKUQRRPRPF-GOSISDBHSA-N	-1	1	374.366	3.536	50	30		FHEAMM
C#Cc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000064335701	221146316	/nfs/dbraw/zinc/14/63/16/221146316.db2.gz	ASLMRHWDKAAFBZ-NSHDSACASA-N	-1	1	354.460	3.850	50	30		FHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1	ZINC000096336101	222116230	/nfs/dbraw/zinc/11/62/30/222116230.db2.gz	TWVHAYVMYNHOJY-AWEZNQCLSA-N	-1	1	370.361	3.658	50	30		FHEAMM
COc1ccc(C(=O)C=C(Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1	ZINC000001883513	523535613	/nfs/dbraw/zinc/53/56/13/523535613.db2.gz	JIMJUMPNZIVAAK-GDNBJRDFSA-N	-1	1	365.307	3.977	50	30		FHEAMM
COC(=O)C[C@@H](c1ccc(F)c(F)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218257332	568224856	/nfs/dbraw/zinc/22/48/56/568224856.db2.gz	KDIPKYAWTYZYJO-ZDUSSCGKSA-N	-1	1	372.323	3.503	50	30		FHEAMM
CCCCCCCN1c2ccccc2C(=C2SC(=S)[N-]C2=O)C1=O	ZINC000095670891	570470472	/nfs/dbraw/zinc/47/04/72/570470472.db2.gz	IXVACPKTPLOQRN-PFONDFGASA-N	-1	1	360.504	3.863	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2	ZINC000006001736	570639681	/nfs/dbraw/zinc/63/96/81/570639681.db2.gz	GSMKPBYGIPGJOD-CQSZACIVSA-N	-1	1	371.437	3.586	50	30		FHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000006002165	570640086	/nfs/dbraw/zinc/64/00/86/570640086.db2.gz	GBHPFGIYUIIVHZ-AWEZNQCLSA-N	-1	1	371.437	3.586	50	30		FHEAMM
O=C([O-])CC1SC(=Nc2ccc(Cl)cc2C(F)(F)F)NC1=O	ZINC000005630898	570682871	/nfs/dbraw/zinc/68/28/71/570682871.db2.gz	DNMRZNDKUVMIFG-QMMMGPOBSA-N	-1	1	352.721	3.893	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)o1	ZINC000009329342	571105122	/nfs/dbraw/zinc/10/51/22/571105122.db2.gz	IIXWBMIYCIZVFB-HNNXBMFYSA-N	-1	1	370.386	3.729	50	30		FHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2	ZINC000005923830	571168333	/nfs/dbraw/zinc/16/83/33/571168333.db2.gz	NOUISZWNQOUCIT-OAHLLOKOSA-N	-1	1	367.474	3.837	50	30		FHEAMM
O=C([N-]CCc1c[nH]c2ccccc12)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002068830	571234830	/nfs/dbraw/zinc/23/48/30/571234830.db2.gz	NBLIBZRLBTVVMZ-UHFFFAOYSA-N	-1	1	356.241	3.660	50	30		FHEAMM
CCOc1cccc(C=N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000017076397	571274994	/nfs/dbraw/zinc/27/49/94/571274994.db2.gz	QCLUBDJCSSBMHG-UHFFFAOYSA-N	-1	1	373.261	3.705	50	30		FHEAMM
N#Cc1ccccc1COc1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000002301460	571317348	/nfs/dbraw/zinc/31/73/48/571317348.db2.gz	JQQAVALNNZGRSV-SXGWCWSVSA-N	-1	1	352.440	3.626	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2)no1	ZINC000102804962	222308325	/nfs/dbraw/zinc/30/83/25/222308325.db2.gz	WOBQVFUSKVFRSL-IBOXJLQUSA-N	-1	1	366.398	3.671	50	30		FHEAMM
CCCCCCCCCCCC([O-])=C1C(=O)CC[C@@H](C(=O)OC)C1=O	ZINC000100740751	519984030	/nfs/dbraw/zinc/98/40/30/519984030.db2.gz	NNENEEZZPNGAFR-CRAIPNDOSA-N	-1	1	352.471	3.814	50	30		FHEAMM
CCCCCCCCCCCC(=O)C1=C([O-])CC[C@@H](C(=O)OC)C1=O	ZINC000100740751	519984032	/nfs/dbraw/zinc/98/40/32/519984032.db2.gz	NNENEEZZPNGAFR-CRAIPNDOSA-N	-1	1	352.471	3.814	50	30		FHEAMM
N#Cc1ccc([O-])c(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)c1	ZINC000534634875	570620256	/nfs/dbraw/zinc/62/02/56/570620256.db2.gz	GWUPADUIJLLKAZ-UHFFFAOYSA-N	-1	1	364.445	3.698	50	30		FHEAMM
CS(=O)(=O)[N-]c1ccccc1C(=O)/C=C/c1c(F)cccc1Cl	ZINC000075149057	571156883	/nfs/dbraw/zinc/15/68/83/571156883.db2.gz	UPZQHAQAHKNOKE-MDZDMXLPSA-N	-1	1	353.802	3.747	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2	ZINC000005847702	571166743	/nfs/dbraw/zinc/16/67/43/571166743.db2.gz	SLFUHXUTAAWJDA-HNNXBMFYSA-N	-1	1	365.458	3.613	50	30		FHEAMM
Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc([O-])cc(C#N)c1	ZINC000225413966	571321389	/nfs/dbraw/zinc/32/13/89/571321389.db2.gz	ZFASODBDSNNEMK-UHFFFAOYSA-N	-1	1	374.444	3.647	50	30		FHEAMM
Cc1nc(COc2ccc(/C=C3\CCc4cc([O-])ccc4C3=O)cc2)no1	ZINC000060364418	221130265	/nfs/dbraw/zinc/13/02/65/221130265.db2.gz	PDDZAFPGDDPTHA-MHWRWJLKSA-N	-1	1	362.385	3.875	50	30		FHEAMM
CCN(CC)c1ccc(/C=C2\Oc3c(ccc([O-])c3CN(C)C)C2=O)cc1	ZINC000062957630	221140216	/nfs/dbraw/zinc/14/02/16/221140216.db2.gz	SAPJAOKMGBIQDN-MOSHPQCFSA-N	-1	1	366.461	3.916	50	30		FHEAMM
COc1cc(-c2cc(-c3ccc([O-])cc3Cl)c(C#N)c(N)n2)ccc1O	ZINC000067677064	221270942	/nfs/dbraw/zinc/27/09/42/221270942.db2.gz	AFGNYCVLHASEPR-UHFFFAOYSA-N	-1	1	367.792	3.943	50	30		FHEAMM
COc1ccc(-c2cc(-c3ccc([O-])cc3Cl)c(C#N)c(N)n2)cn1	ZINC000071748679	221361157	/nfs/dbraw/zinc/36/11/57/221361157.db2.gz	LRIWLWRNNOCYAY-UHFFFAOYSA-N	-1	1	352.781	3.632	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)no1	ZINC000102734353	222306560	/nfs/dbraw/zinc/30/65/60/222306560.db2.gz	DESJVPRUNHJPOT-LFVOPCPISA-N	-1	1	374.396	3.918	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)no1	ZINC000102734355	222306648	/nfs/dbraw/zinc/30/66/48/222306648.db2.gz	DESJVPRUNHJPOT-WOOAAIBNSA-N	-1	1	374.396	3.918	50	30		FHEAMM
CCOc1cc(C=Nn2cn[n-]c2=S)ccc1OCc1ccccc1F	ZINC000005444465	520643996	/nfs/dbraw/zinc/64/39/96/520643996.db2.gz	CPGXLERIDPQDOU-UFFVCSGVSA-N	-1	1	372.425	3.940	50	30		FHEAMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCCc1ccccc1	ZINC000005521097	522000578	/nfs/dbraw/zinc/00/05/78/522000578.db2.gz	ZXZYCMBFKFZTTB-DEDYPNTBSA-N	-1	1	368.462	3.761	50	30		FHEAMM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1	ZINC000064837545	221153528	/nfs/dbraw/zinc/15/35/28/221153528.db2.gz	YOIBOPSWEBUTRL-UHFFFAOYSA-N	-1	1	367.430	3.939	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000102874316	222311878	/nfs/dbraw/zinc/31/18/78/222311878.db2.gz	QNKQKNXWQCIHQG-LFVOPCPISA-N	-1	1	374.371	3.847	50	30		FHEAMM
CCCCCCCOC(=O)[C@H](C#N)[C@H](c1c(C)[n-][nH]c1=O)c1ccccc1	ZINC000102758777	520062111	/nfs/dbraw/zinc/06/21/11/520062111.db2.gz	YQUYDXZBSKSRRB-CEXWTWQISA-N	-1	1	369.465	3.545	50	30		FHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1ccccc1	ZINC000008578829	570683444	/nfs/dbraw/zinc/68/34/44/570683444.db2.gz	ONGNCADZJOQNFG-ZDUSSCGKSA-N	-1	1	353.447	3.633	50	30		FHEAMM
CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(=S)[n-]nc3c2CO1	ZINC000001111304	571069264	/nfs/dbraw/zinc/06/92/64/571069264.db2.gz	ZQRPEWZIXAZDRJ-UHFFFAOYSA-N	-1	1	351.435	3.858	50	30		FHEAMM
Cc1nc(-c2cccs2)sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036714238	571261594	/nfs/dbraw/zinc/26/15/94/571261594.db2.gz	ZUBRMCSUXHVSTQ-UHFFFAOYSA-N	-1	1	359.358	3.953	50	30		FHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000005861029	942316106	/nfs/dbraw/zinc/31/61/06/942316106.db2.gz	OQQDJNIOYLDCOW-AWEZNQCLSA-N	-1	1	373.503	3.896	50	30		FHEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1	ZINC000021033736	220349077	/nfs/dbraw/zinc/34/90/77/220349077.db2.gz	SKYSGVTUHMQNPL-UHFFFAOYSA-N	-1	1	365.414	3.891	50	30		FHEAMM
C=CCn1c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2sc1=O	ZINC000046017724	220979918	/nfs/dbraw/zinc/97/99/18/220979918.db2.gz	VNFSGNPMYGSEPX-UHFFFAOYSA-N	-1	1	374.487	3.667	50	30		FHEAMM
CS(=O)(=O)[N-]c1ccccc1C(=O)/C=C/c1ccc2ncccc2c1	ZINC000069383011	221325349	/nfs/dbraw/zinc/32/53/49/221325349.db2.gz	BYVXUYYKJFMYLX-PKNBQFBNSA-N	-1	1	352.415	3.502	50	30		FHEAMM
CS(=O)(=O)[N-]c1ccccc1C(=O)/C=C\c1ccc2ncccc2c1	ZINC000096265985	222106385	/nfs/dbraw/zinc/10/63/85/222106385.db2.gz	BYVXUYYKJFMYLX-LUAWRHEFSA-N	-1	1	352.415	3.502	50	30		FHEAMM
COC(=O)c1ccc(/N=C/c2cc(OC)cc(Br)c2[O-])cc1	ZINC000100280000	222240226	/nfs/dbraw/zinc/24/02/26/222240226.db2.gz	ZQSUILDSWGAJQF-GIJQJNRQSA-N	-1	1	364.195	3.701	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000008565369	263355953	/nfs/dbraw/zinc/35/59/53/263355953.db2.gz	YRSKPKJWAXSMMS-CQSZACIVSA-N	-1	1	371.487	3.674	50	30		FHEAMM
CCOc1cc(C=Nn2cn[n-]c2=S)ccc1OCc1ccccc1	ZINC000005444463	520645268	/nfs/dbraw/zinc/64/52/68/520645268.db2.gz	ACWQVXAPLMBDCX-RGVLZGJSSA-N	-1	1	354.435	3.801	50	30		FHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccs1)c1ccccc1	ZINC000005813886	570636451	/nfs/dbraw/zinc/63/64/51/570636451.db2.gz	IOXGVXUFBAOZPS-KRWDZBQOSA-N	-1	1	362.410	3.926	50	30		FHEAMM
CSc1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2s1	ZINC000008705633	571055908	/nfs/dbraw/zinc/05/59/08/571055908.db2.gz	BFMWDLKKUQGTBP-UHFFFAOYSA-N	-1	1	361.473	3.691	50	30		FHEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018098746	220223574	/nfs/dbraw/zinc/22/35/74/220223574.db2.gz	SKXBCFPTJYNHPD-CQSZACIVSA-N	-1	1	367.474	3.692	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)o1	ZINC000105640061	222372212	/nfs/dbraw/zinc/37/22/12/222372212.db2.gz	OFVYMERWRCFUDH-POZKEBTKSA-N	-1	1	356.761	3.828	50	30		FHEAMM
CCOc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000101355184	520872252	/nfs/dbraw/zinc/87/22/52/520872252.db2.gz	VCIHNLGAEDARKR-WQRHYEAKSA-N	-1	1	370.361	3.565	50	30		FHEAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C#N)c3)c2)o1	ZINC000009807740	571119439	/nfs/dbraw/zinc/11/94/39/571119439.db2.gz	NPQCOELKJBXNEP-UHFFFAOYSA-N	-1	1	353.403	3.631	50	30		FHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000005847716	571166770	/nfs/dbraw/zinc/16/67/70/571166770.db2.gz	YRSKPKJWAXSMMS-AWEZNQCLSA-N	-1	1	371.487	3.674	50	30		FHEAMM
O=c1c2c3c(sc2ncn1N=Cc1ccc([O-])c(Cl)c1)CCCC3	ZINC000252641820	571292172	/nfs/dbraw/zinc/29/21/72/571292172.db2.gz	ZGFLZIVVHNPXOM-UHFFFAOYSA-N	-1	1	359.838	3.578	50	30		FHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(SC(F)(F)F)cc2)c(=O)o1	ZINC000024061325	934593272	/nfs/dbraw/zinc/59/32/72/934593272.db2.gz	LDEFMJOLKUUEPU-GBXSZLQWSA-N	-1	1	356.321	3.527	50	30		FHEAMM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccs2)no1	ZINC000013127651	220058548	/nfs/dbraw/zinc/05/85/48/220058548.db2.gz	SXZJKCLGIIVLHL-MRXNPFEDSA-N	-1	1	366.398	3.827	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccs2)no1	ZINC000013127651	220058549	/nfs/dbraw/zinc/05/85/49/220058549.db2.gz	SXZJKCLGIIVLHL-MRXNPFEDSA-N	-1	1	366.398	3.827	50	30		FHEAMM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccs2)no1	ZINC000013127649	220059141	/nfs/dbraw/zinc/05/91/41/220059141.db2.gz	SXZJKCLGIIVLHL-INIZCTEOSA-N	-1	1	366.398	3.827	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)no1	ZINC000013127649	220059144	/nfs/dbraw/zinc/05/91/44/220059144.db2.gz	SXZJKCLGIIVLHL-INIZCTEOSA-N	-1	1	366.398	3.827	50	30		FHEAMM
C=CCN1C(=O)[C@@]([N-]c2ncccc2C)(C(F)(F)F)N=C1c1ccccc1	ZINC000020676363	220338709	/nfs/dbraw/zinc/33/87/09/220338709.db2.gz	RKRWPKUQRRPRPF-SFHVURJKSA-N	-1	1	374.366	3.536	50	30		FHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)o1	ZINC000102545365	222299992	/nfs/dbraw/zinc/29/99/92/222299992.db2.gz	FSUYXQBFOAAXAY-DPEHCCBOSA-N	-1	1	370.386	3.572	50	30		FHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)no1	ZINC000102888932	222313469	/nfs/dbraw/zinc/31/34/69/222313469.db2.gz	IAYVZBZKVMSPJY-LFVOPCPISA-N	-1	1	374.396	3.918	50	30		FHEAMM
O=C([O-])C(=CC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1	ZINC000019848263	527543527	/nfs/dbraw/zinc/54/35/27/527543527.db2.gz	QNUXHSJOVXHJJR-UVTDQMKNSA-N	-1	1	351.280	3.849	50	30	biogenic,in-vitro	FHEAMM
O=C(/C=C\c1ccco1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000096134001	527659400	/nfs/dbraw/zinc/65/94/00/527659400.db2.gz	UXRKEEQXWILITP-QXMHVHEDSA-N	-1	1	353.399	3.977	50	30		FHEAMM
COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc([O-])c(Cl)c3)S2)cc1	ZINC000004739654	570604109	/nfs/dbraw/zinc/60/41/09/570604109.db2.gz	ZPSDSCBCZRZXRE-OQLLNIDSSA-N	-1	1	360.822	3.946	50	30		FHEAMM
N#CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCCC1	ZINC000225495382	571039972	/nfs/dbraw/zinc/03/99/72/571039972.db2.gz	UAJPWRLMCULMBV-UHFFFAOYSA-N	-1	1	351.230	3.637	50	30		FHEAMM
C=CCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)n[n-]c1=S	ZINC000005487492	571103063	/nfs/dbraw/zinc/10/30/63/571103063.db2.gz	VSWGXVBHKDNHEM-MRVPVSSYSA-N	-1	1	357.266	3.924	50	30		FHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1	ZINC000006188351	571156452	/nfs/dbraw/zinc/15/64/52/571156452.db2.gz	NGNBJUGXFJGHJI-AWEZNQCLSA-N	-1	1	352.371	3.519	50	30		FHEAMM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1	ZINC000006262626	571168762	/nfs/dbraw/zinc/16/87/62/571168762.db2.gz	XGGUYIMRVZLSPF-SECBINFHSA-N	-1	1	373.438	3.654	50	30		FHEAMM
C=CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000003369164	571348483	/nfs/dbraw/zinc/34/84/83/571348483.db2.gz	VACWPJSXKPPLPL-UHFFFAOYSA-N	-1	1	356.816	3.630	50	30		FHEAMM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ncccn2)cc1	ZINC000004311689	571357780	/nfs/dbraw/zinc/35/77/80/571357780.db2.gz	YNELJTRIIVOXHH-GOSISDBHSA-N	-1	1	371.396	3.568	50	30		FHEAMM