smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)c1	ZINC000057878114	862269395	/nfs/dbraw/zinc/26/93/95/862269395.db2.gz	GSBAZNYEPNVTEE-GOSISDBHSA-N	-1	1	379.412	3.818	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)c(=O)o1	ZINC000255845828	857959521	/nfs/dbraw/zinc/95/95/21/857959521.db2.gz	PPGYJHHYLHEGLT-RXYHWBRQSA-N	-1	1	379.195	3.540	50	30		GHEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)[N-]C1=S	ZINC000000635642	203777613	/nfs/dbraw/zinc/77/76/13/203777613.db2.gz	ZZJAJDSOJNKVCE-LDADJPATSA-N	-1	1	393.512	3.524	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)no1	ZINC000006275837	204173317	/nfs/dbraw/zinc/17/33/17/204173317.db2.gz	JIQGGOAZNKBSOP-KRWDZBQOSA-N	-1	1	395.802	3.814	50	30		GHEAMM
C#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1	ZINC000058230362	518365140	/nfs/dbraw/zinc/36/51/40/518365140.db2.gz	QEXUPLXTZWHZIA-NRFANRHFSA-N	-1	1	384.435	3.770	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)no1	ZINC000102722075	525047758	/nfs/dbraw/zinc/04/77/58/525047758.db2.gz	BIJVONOQMCCBFE-GHNGSUTGSA-N	-1	1	378.359	3.748	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2cccc(F)c2)cc1	ZINC000017145909	526022600	/nfs/dbraw/zinc/02/26/00/526022600.db2.gz	ODWVEPCSZDREOX-IBGZPJMESA-N	-1	1	397.402	3.577	50	30		GHEAMM
COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1COc1ccc([N+](=O)[O-])cc1	ZINC000002793239	570518240	/nfs/dbraw/zinc/51/82/40/570518240.db2.gz	BMIHIUPMIPCTGY-VXLYETTFSA-N	-1	1	399.432	3.627	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)o1	ZINC000102970758	570872764	/nfs/dbraw/zinc/87/27/64/570872764.db2.gz	QFNSZRXIILIRGB-MLUDITRGSA-N	-1	1	398.418	3.768	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2	ZINC000111971118	888468126	/nfs/dbraw/zinc/46/81/26/888468126.db2.gz	MSFKIAMSWGMJFA-JTQLQIEISA-N	-1	1	382.272	3.829	50	30		GHEAMM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2C1	ZINC000004719204	204068168	/nfs/dbraw/zinc/06/81/68/204068168.db2.gz	DUSBHRSOVDMWOQ-VIFPVBQESA-N	-1	1	386.389	3.813	50	30		GHEAMM
COc1ccc([C@@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)cc1	ZINC000005860973	204154994	/nfs/dbraw/zinc/15/49/94/204154994.db2.gz	FIMHSOQCZMIDQR-INIZCTEOSA-N	-1	1	397.500	3.844	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)s1	ZINC000008914214	204293008	/nfs/dbraw/zinc/29/30/08/204293008.db2.gz	JCJDMELQQQTGDN-INIZCTEOSA-N	-1	1	395.415	3.769	50	30		GHEAMM
COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217693744	533615278	/nfs/dbraw/zinc/61/52/78/533615278.db2.gz	PXXNNVCJBVMQDF-ZDUSSCGKSA-N	-1	1	386.787	3.584	50	30	biogenic	GHEAMM
CCc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102555568	524051985	/nfs/dbraw/zinc/05/19/85/524051985.db2.gz	JDEPLYXFKSEQCZ-GHNGSUTGSA-N	-1	1	378.384	3.765	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccccc1Cl)c1ccccc1	ZINC000017138493	526270094	/nfs/dbraw/zinc/27/00/94/526270094.db2.gz	VOMMFMLTQUMMTK-KRWDZBQOSA-N	-1	1	391.814	3.913	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)s1	ZINC000102797676	526354928	/nfs/dbraw/zinc/35/49/28/526354928.db2.gz	WCCGBZNCQJQWKU-UYTDBDHRSA-N	-1	1	395.415	3.612	50	30		GHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)c1	ZINC000013569368	570657935	/nfs/dbraw/zinc/65/79/35/570657935.db2.gz	WZHFWVSXYGJGNI-QGZVFWFLSA-N	-1	1	396.424	3.836	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)c1	ZINC000013569368	570657936	/nfs/dbraw/zinc/65/79/36/570657936.db2.gz	WZHFWVSXYGJGNI-QGZVFWFLSA-N	-1	1	396.424	3.836	50	30		GHEAMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1sc(C)c(C)c1C#N	ZINC000002590127	861385864	/nfs/dbraw/zinc/38/58/64/861385864.db2.gz	PXERWUDDBGWZBF-VGOFMYFVSA-N	-1	1	398.513	3.741	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)s1	ZINC000005800645	204151103	/nfs/dbraw/zinc/15/11/03/204151103.db2.gz	JQABHQTYEDVZIT-KRWDZBQOSA-N	-1	1	391.452	3.938	50	30		GHEAMM
COC(=O)C[C@H](c1ccc(SC)cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217910405	894660348	/nfs/dbraw/zinc/66/03/48/894660348.db2.gz	FMQBOXWZNKMYGD-MRXNPFEDSA-N	-1	1	382.437	3.947	50	30	biogenic	GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2ccc(C)cc2)cc1	ZINC000005818320	204152916	/nfs/dbraw/zinc/15/29/16/204152916.db2.gz	KVPQEMLNSYZLEA-KRWDZBQOSA-N	-1	1	391.452	3.938	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(C)cc2)cc1	ZINC000006813173	204212049	/nfs/dbraw/zinc/21/20/49/204212049.db2.gz	HIUVTQPYGXESES-YDJIHCHBSA-N	-1	1	393.439	3.590	50	30		GHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1cccc(C)c1	ZINC000003546211	205076494	/nfs/dbraw/zinc/07/64/94/205076494.db2.gz	QHVLFMTXFBORKK-UHFFFAOYSA-N	-1	1	381.457	3.826	50	30		GHEAMM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc([O-])c(Cl)c1	ZINC000019804837	522885731	/nfs/dbraw/zinc/88/57/31/522885731.db2.gz	AWGJTPJNDKAZIV-QGZVFWFLSA-N	-1	1	381.815	3.787	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)o1	ZINC000102802820	525046483	/nfs/dbraw/zinc/04/64/83/525046483.db2.gz	HFWWQJGIZOMCOZ-HVESIFNPSA-N	-1	1	382.347	3.650	50	30		GHEAMM
CC(C)c1ccc([C@@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000002328299	855239466	/nfs/dbraw/zinc/23/94/66/855239466.db2.gz	BXTSGFVFSCKPHM-MRXNPFEDSA-N	-1	1	384.439	3.641	50	30		GHEAMM
N#Cc1c(=O)[nH]c(SCc2ccc(C(=O)[O-])cc2)nc1-c1ccc(Cl)cc1	ZINC000028616558	900382678	/nfs/dbraw/zinc/38/26/78/900382678.db2.gz	KHFLEBSFNKNPKB-UHFFFAOYSA-N	-1	1	397.843	3.952	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2	ZINC000005861004	204154253	/nfs/dbraw/zinc/15/42/53/204154253.db2.gz	MNRPAROZFRIPHU-HNNXBMFYSA-N	-1	1	385.464	3.974	50	30		GHEAMM
O=c1[nH]c2ccccc2[nH]c1=NN=Cc1c([O-])ccc2cc([N+](=O)[O-])ccc21	ZINC000008721672	204285647	/nfs/dbraw/zinc/28/56/47/204285647.db2.gz	LNAJSQYRZSRGJL-KEBDBYFISA-N	-1	1	375.344	3.548	50	30		GHEAMM
C=CCn1c2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3C)cc2sc1=O	ZINC000046017735	519262951	/nfs/dbraw/zinc/26/29/51/519262951.db2.gz	RTKQRGTUJGJIGZ-UHFFFAOYSA-N	-1	1	388.514	3.975	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)o1	ZINC000102970759	520852768	/nfs/dbraw/zinc/85/27/68/520852768.db2.gz	QFNSZRXIILIRGB-GNNUASRNSA-N	-1	1	398.418	3.768	50	30		GHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000100821602	521783366	/nfs/dbraw/zinc/78/33/66/521783366.db2.gz	PXMHJZZKNSWIAP-HNNXBMFYSA-N	-1	1	397.500	3.788	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000017920678	525219149	/nfs/dbraw/zinc/21/91/49/525219149.db2.gz	ZAZKSVPGZDKBSD-GOSISDBHSA-N	-1	1	394.383	3.676	50	30		GHEAMM
Cc1ccccc1[C@H]1C(C(=O)C2CC2)=C(O)C(=O)N1c1cccc(C(=O)[O-])c1	ZINC000013275932	525432949	/nfs/dbraw/zinc/43/29/49/525432949.db2.gz	KVWBFIXMKVKEMR-SFHVURJKSA-N	-1	1	377.396	3.572	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccnc1)c1ccc(Cl)cc1	ZINC000102649432	526957960	/nfs/dbraw/zinc/95/79/60/526957960.db2.gz	PVGMBBAUNWHESG-GHNGSUTGSA-N	-1	1	391.814	3.756	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)no1	ZINC000005800504	570693562	/nfs/dbraw/zinc/69/35/62/570693562.db2.gz	KRFDEAXWCHZGTH-GOSISDBHSA-N	-1	1	378.359	3.905	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000017748718	570709106	/nfs/dbraw/zinc/70/91/06/570709106.db2.gz	PUHUJTMHZPJZIM-HXUWFJFHSA-N	-1	1	386.407	3.873	50	30		GHEAMM
CC[C@H](Sc1nnc([N-]C(=O)c2nc3ccccc3s2)s1)C(=O)OC	ZINC000042379304	570890377	/nfs/dbraw/zinc/89/03/77/570890377.db2.gz	GPLJUJIOKMWTMV-VIFPVBQESA-N	-1	1	394.503	3.828	50	30		GHEAMM
C=CCOc1ccc(-c2nc3c(sc(=S)n3CC=C)c(=O)[n-]2)cc1OC	ZINC000003627180	571041833	/nfs/dbraw/zinc/04/18/33/571041833.db2.gz	WOSKWHRYWKYAJV-UHFFFAOYSA-N	-1	1	387.486	3.942	50	30		GHEAMM
COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OCc1ccc(F)cc1	ZINC000606346810	859834481	/nfs/dbraw/zinc/83/44/81/859834481.db2.gz	ALXPMUPLFAWVSK-UHFFFAOYSA-N	-1	1	382.395	3.663	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Oc3ccccc3F)c(F)c2)c(=O)o1	ZINC000103908770	904516472	/nfs/dbraw/zinc/51/64/72/904516472.db2.gz	BGUZVLXDHJYGEL-IEJURRBGSA-N	-1	1	384.334	3.985	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1	ZINC000005818994	204153502	/nfs/dbraw/zinc/15/35/02/204153502.db2.gz	RLXOITMWCFZYLU-OAHLLOKOSA-N	-1	1	399.378	3.599	50	30		GHEAMM
CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005858727	204154075	/nfs/dbraw/zinc/15/40/75/204154075.db2.gz	GPJNZXGAGSIFJN-MRXNPFEDSA-N	-1	1	396.516	3.868	50	30		GHEAMM
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000008996916	204296277	/nfs/dbraw/zinc/29/62/77/204296277.db2.gz	JHWLZFCJKWRFNJ-CQSZACIVSA-N	-1	1	383.454	3.691	50	30		GHEAMM
CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)s1	ZINC000009088626	204298039	/nfs/dbraw/zinc/29/80/39/204298039.db2.gz	HMJBQBWHYQDVFW-ZDUSSCGKSA-N	-1	1	399.453	3.636	50	30		GHEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1	ZINC000085664742	570251596	/nfs/dbraw/zinc/25/15/96/570251596.db2.gz	WRCKWASIEBZTCO-UHFFFAOYSA-N	-1	1	398.391	3.829	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(C)c1)C(C(=O)OCC)=C(C)N2	ZINC000004292288	571041823	/nfs/dbraw/zinc/04/18/23/571041823.db2.gz	MTGLXDYJZNCJIX-INIZCTEOSA-N	-1	1	397.500	3.751	50	30		GHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005931417	204157687	/nfs/dbraw/zinc/15/76/87/204157687.db2.gz	ZGOMWVPFIFNXRE-XHDPSFHLSA-N	-1	1	382.489	3.620	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccccc1F)c1ccc(F)cc1	ZINC000005491338	204136719	/nfs/dbraw/zinc/13/67/19/204136719.db2.gz	IJMNGIXMOYWUCV-KRWDZBQOSA-N	-1	1	393.349	3.538	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)no1	ZINC000006412922	204176998	/nfs/dbraw/zinc/17/69/98/204176998.db2.gz	XAYCQWZKMLVTIA-MRXNPFEDSA-N	-1	1	384.388	3.967	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000017057967	526029962	/nfs/dbraw/zinc/02/99/62/526029962.db2.gz	SIGOKSIQDVLCCN-MRXNPFEDSA-N	-1	1	395.415	3.769	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1	ZINC000102649430	526957691	/nfs/dbraw/zinc/95/76/91/526957691.db2.gz	PVGMBBAUNWHESG-SELCWUDQSA-N	-1	1	391.814	3.756	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)o1	ZINC000005053348	570406637	/nfs/dbraw/zinc/40/66/37/570406637.db2.gz	PWSVPBVYJBWRRP-SFHVURJKSA-N	-1	1	378.384	3.976	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)no1	ZINC000006908749	570698723	/nfs/dbraw/zinc/69/87/23/570698723.db2.gz	CQSPGVSAPQEVNI-SFHVURJKSA-N	-1	1	378.359	3.905	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2ccc(F)cc2)cc1	ZINC000104193525	570898153	/nfs/dbraw/zinc/89/81/53/570898153.db2.gz	PXBFNQPBLYLHMR-UYTDBDHRSA-N	-1	1	395.415	3.612	50	30		GHEAMM
C=CCOc1c(Br)cc(CNn2c(C)n[n-]c2=S)cc1OCC	ZINC000006892289	571045753	/nfs/dbraw/zinc/04/57/53/571045753.db2.gz	AVHSBUHBJFUBQD-UHFFFAOYSA-N	-1	1	399.314	3.719	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000008565365	204279153	/nfs/dbraw/zinc/27/91/53/204279153.db2.gz	HWNLPFWHQYQDDJ-OAHLLOKOSA-N	-1	1	383.448	3.752	50	30		GHEAMM
C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)[N-]C1=S	ZINC000013810374	518833766	/nfs/dbraw/zinc/83/37/66/518833766.db2.gz	BCLGTIOBQIBUFT-PTNGSMBKSA-N	-1	1	384.482	3.552	50	30		GHEAMM
COc1ccc(OC)c(C(=O)C=C([O-])C(=O)Nc2ccc(F)c(Cl)c2)c1	ZINC000101355627	524802814	/nfs/dbraw/zinc/80/28/14/524802814.db2.gz	FZPQNPCTBOXSGR-SXGWCWSVSA-N	-1	1	379.771	3.760	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)no1	ZINC000102535907	525048477	/nfs/dbraw/zinc/04/84/77/525048477.db2.gz	PZMMAVUUIWHKSZ-HVESIFNPSA-N	-1	1	395.802	3.658	50	30		GHEAMM
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nc([O-])c(CC)c1=O	ZINC000008828800	570224920	/nfs/dbraw/zinc/22/49/20/570224920.db2.gz	NRXLVKJZGZYIER-UHFFFAOYSA-N	-1	1	395.484	3.581	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)no1	ZINC000005800489	570693638	/nfs/dbraw/zinc/69/36/38/570693638.db2.gz	JKXFAMAFOMJDIO-GOSISDBHSA-N	-1	1	394.358	3.611	50	30		GHEAMM
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1	ZINC000032788714	570810308	/nfs/dbraw/zinc/81/03/08/570810308.db2.gz	RGFFHCJBGPFEEG-OAQYLSRUSA-N	-1	1	389.430	3.707	50	30		GHEAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cc1ccccc1	ZINC000016729745	570908338	/nfs/dbraw/zinc/90/83/38/570908338.db2.gz	DEYDREKVYKEHRN-UHFFFAOYSA-N	-1	1	378.453	3.958	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)no1	ZINC000008556471	856260869	/nfs/dbraw/zinc/26/08/69/856260869.db2.gz	KSMZXWXFGSKSHX-MRXNPFEDSA-N	-1	1	384.388	3.967	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C)cc2)s1	ZINC000001464678	570263001	/nfs/dbraw/zinc/26/30/01/570263001.db2.gz	UCSJLIKOWGXICD-OAHLLOKOSA-N	-1	1	381.413	3.531	50	30		GHEAMM
Cc1c(/N=C/c2cccc(Br)c2[O-])c(=O)n(-c2ccccc2)n1C	ZINC000002317062	855195464	/nfs/dbraw/zinc/19/54/64/855195464.db2.gz	PRDXZGOVYURXPX-RGVLZGJSSA-N	-1	1	386.249	3.703	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)o1	ZINC000006428307	204178931	/nfs/dbraw/zinc/17/89/31/204178931.db2.gz	PVSZHJRLWWXDMC-QGZVFWFLSA-N	-1	1	382.347	3.806	50	30		GHEAMM
C=CCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21	ZINC000046017717	519166233	/nfs/dbraw/zinc/16/62/33/519166233.db2.gz	XBMVLCHZMXXUJS-UHFFFAOYSA-N	-1	1	380.878	3.703	50	30		GHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1	ZINC000102805265	523378096	/nfs/dbraw/zinc/37/80/96/523378096.db2.gz	PQGZXOAFINWNIQ-HVESIFNPSA-N	-1	1	396.424	3.679	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1	ZINC000102805265	523378106	/nfs/dbraw/zinc/37/81/06/523378106.db2.gz	PQGZXOAFINWNIQ-HVESIFNPSA-N	-1	1	396.424	3.679	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)no1	ZINC000102804002	525047475	/nfs/dbraw/zinc/04/74/75/525047475.db2.gz	UBMMQXOQRRKZOQ-UYTDBDHRSA-N	-1	1	384.388	3.810	50	30		GHEAMM
Cc1cccn2c(=O)c(/C=N/[O-])c(Nc3ccc(SC(F)F)cc3)nc12	ZINC000000945456	570230890	/nfs/dbraw/zinc/23/08/90/570230890.db2.gz	DSZZAIJLILRSAQ-AWQFTUOYSA-N	-1	1	376.388	3.869	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000001117423	570243572	/nfs/dbraw/zinc/24/35/72/570243572.db2.gz	SXKPHEKBJGALLS-OAHLLOKOSA-N	-1	1	385.464	3.974	50	30		GHEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000005800685	570535550	/nfs/dbraw/zinc/53/55/50/570535550.db2.gz	DOBMPAXVYJDQNO-GOSISDBHSA-N	-1	1	389.386	3.707	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000005800685	570535552	/nfs/dbraw/zinc/53/55/52/570535552.db2.gz	DOBMPAXVYJDQNO-GOSISDBHSA-N	-1	1	389.386	3.707	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OCCCC)CC(=O)N2	ZINC000086057962	570732423	/nfs/dbraw/zinc/73/24/23/570732423.db2.gz	JFIDOSKVQPNEDU-AWEZNQCLSA-N	-1	1	385.489	3.701	50	30		GHEAMM
COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1COc1ccccc1[N+](=O)[O-]	ZINC000008511542	856245375	/nfs/dbraw/zinc/24/53/75/856245375.db2.gz	SOCZDGWRRLMYGJ-VXLYETTFSA-N	-1	1	399.432	3.627	50	30		GHEAMM
Cc1cc(=O)[n-]c(NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)n1	ZINC000606346877	859834381	/nfs/dbraw/zinc/83/43/81/859834381.db2.gz	RQYYECHAJWDRRR-UHFFFAOYSA-N	-1	1	376.445	3.851	50	30		GHEAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1conc1C1CC1	ZINC000328592770	231045624	/nfs/dbraw/zinc/04/56/24/231045624.db2.gz	DWSTWFHQVVXWAG-UHFFFAOYSA-N	-1	1	383.429	3.989	50	30		GHEAMM
N#Cc1ccccc1COc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1Cl	ZINC000004696486	204065481	/nfs/dbraw/zinc/06/54/81/204065481.db2.gz	DFEAHZLQIJJUEN-VIZOYTHASA-N	-1	1	388.210	3.624	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2	ZINC000005923799	204157282	/nfs/dbraw/zinc/15/72/82/204157282.db2.gz	BSUHBANPVPNETD-MRXNPFEDSA-N	-1	1	397.500	3.845	50	30		GHEAMM
CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1	ZINC000059772075	205180729	/nfs/dbraw/zinc/18/07/29/205180729.db2.gz	RVJREFVRUZMQBQ-BJMVGYQFSA-N	-1	1	390.848	3.589	50	30		GHEAMM
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)[N-]C1=S	ZINC000012362906	518830928	/nfs/dbraw/zinc/83/09/28/518830928.db2.gz	BGDFXXKUYPRLJD-UNOMPAQXSA-N	-1	1	393.512	3.524	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000102804577	524744845	/nfs/dbraw/zinc/74/48/45/524744845.db2.gz	PVTBBGZAVSFNIN-GROYHEBESA-N	-1	1	396.424	3.679	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)c1	ZINC000102735140	525758440	/nfs/dbraw/zinc/75/84/40/525758440.db2.gz	ZVVBYNJYZRMWAY-GROYHEBESA-N	-1	1	396.424	3.679	50	30		GHEAMM
Cc1ccc([C@H]2C(C(=O)C3CC3)=C(O)C(=O)N2c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000058306440	570726068	/nfs/dbraw/zinc/72/60/68/570726068.db2.gz	GMGWQLOWROJYPR-IBGZPJMESA-N	-1	1	391.423	3.881	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005864595	204154686	/nfs/dbraw/zinc/15/46/86/204154686.db2.gz	LMZHXDWNTQZCHE-HNNXBMFYSA-N	-1	1	394.500	3.644	50	30		GHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1ccc(F)cc1	ZINC000008996342	204296366	/nfs/dbraw/zinc/29/63/66/204296366.db2.gz	XPGBXCWJQPANRD-ZDUSSCGKSA-N	-1	1	387.417	3.522	50	30		GHEAMM
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3ccoc3)[C@@H]2c2ccco2)s1	ZINC000032609561	519889186	/nfs/dbraw/zinc/88/91/86/519889186.db2.gz	RWGFJJYOPCBMKQ-ZDUSSCGKSA-N	-1	1	385.401	3.630	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102803410	525382171	/nfs/dbraw/zinc/38/21/71/525382171.db2.gz	GQRDYXVZAWFLSX-GHNGSUTGSA-N	-1	1	394.383	3.519	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)c1	ZINC000102804535	525761027	/nfs/dbraw/zinc/76/10/27/525761027.db2.gz	LFTKMTBXPRVOMS-YDJIHCHBSA-N	-1	1	386.407	3.717	50	30		GHEAMM
CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C#N)c1C	ZINC000001965036	570451543	/nfs/dbraw/zinc/45/15/43/570451543.db2.gz	SSNFQPZKFWVDDN-UHFFFAOYSA-N	-1	1	393.808	3.919	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(C)c1)C(C(=O)OCC)=C(C)N2	ZINC000004292287	571041787	/nfs/dbraw/zinc/04/17/87/571041787.db2.gz	MTGLXDYJZNCJIX-MRXNPFEDSA-N	-1	1	397.500	3.751	50	30		GHEAMM
Cc1cccn2c(=O)c(C=N[O-])c(Nc3ccc(SC(F)F)cc3)nc12	ZINC000254398817	916655918	/nfs/dbraw/zinc/65/59/18/916655918.db2.gz	DSZZAIJLILRSAQ-UHFFFAOYSA-N	-1	1	376.388	3.869	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2	ZINC000006009462	204161247	/nfs/dbraw/zinc/16/12/47/204161247.db2.gz	VYTHFNYUCSLARD-INIZCTEOSA-N	-1	1	395.484	3.621	50	30		GHEAMM
COC(=O)c1ccc2nc(C=C([O-])c3ccc(C(F)(F)F)cc3)c(=O)[nH]c2c1	ZINC000077024282	205357397	/nfs/dbraw/zinc/35/73/97/205357397.db2.gz	IWXIMLPEUGWLFE-OQLLNIDSSA-N	-1	1	390.317	3.623	50	30		GHEAMM
CCNc1cc(=N)n(CC)c2n[nH]c(N=Cc3cc(Cl)cc(Cl)c3[O-])c21	ZINC000018190197	520274692	/nfs/dbraw/zinc/27/46/92/520274692.db2.gz	SDTFZVPEHZXOMP-UHFFFAOYSA-O	-1	1	394.286	3.647	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)no1	ZINC000102804133	525045894	/nfs/dbraw/zinc/04/58/94/525045894.db2.gz	NZMJWTIECLRVGJ-LFVOPCPISA-N	-1	1	390.395	3.623	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)o1	ZINC000017721081	526026468	/nfs/dbraw/zinc/02/64/68/526026468.db2.gz	CLAVHHPRNNMEKZ-QGZVFWFLSA-N	-1	1	382.347	3.806	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1cccs1)c1ccc(F)cc1	ZINC000017860004	526272402	/nfs/dbraw/zinc/27/24/02/526272402.db2.gz	GABQEZRVLDYCJG-CYBMUJFWSA-N	-1	1	387.417	3.522	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000102798966	526956818	/nfs/dbraw/zinc/95/68/18/526956818.db2.gz	GLOSQQFJCRLFEQ-UYTDBDHRSA-N	-1	1	380.400	3.909	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N2	ZINC000007990953	570217195	/nfs/dbraw/zinc/21/71/95/570217195.db2.gz	ONEOIOKIOQBQJU-ZDUSSCGKSA-N	-1	1	389.502	3.504	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000019808880	570220892	/nfs/dbraw/zinc/22/08/92/570220892.db2.gz	IYINTHRHBPKBFF-GOSISDBHSA-N	-1	1	399.830	3.783	50	30		GHEAMM
Cc1cc(Cl)c(S(=O)(=O)[N-]/N=C/c2ccc(N(C)C)cc2)c(Cl)c1	ZINC000001175781	570254067	/nfs/dbraw/zinc/25/40/67/570254067.db2.gz	HXILKFNMQLGQRE-VXLYETTFSA-N	-1	1	386.304	3.680	50	30		GHEAMM
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[N-]C1=S	ZINC000005100676	570417395	/nfs/dbraw/zinc/41/73/95/570417395.db2.gz	OJOWTKCUVJNKOQ-BOPFTXTBSA-N	-1	1	399.903	3.560	50	30		GHEAMM
Cc1c(-c2cc(C(=O)[N-]c3sc4c(c3C#N)CCCCC4)on2)cnn1C	ZINC000013641866	570663224	/nfs/dbraw/zinc/66/32/24/570663224.db2.gz	QBNQPWDTCRMNFU-UHFFFAOYSA-N	-1	1	381.461	3.838	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)no1	ZINC000006908747	570698767	/nfs/dbraw/zinc/69/87/67/570698767.db2.gz	CQSPGVSAPQEVNI-GOSISDBHSA-N	-1	1	378.359	3.905	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000018168407	570807038	/nfs/dbraw/zinc/80/70/38/570807038.db2.gz	BKKRVUNQEQDIOV-SFHVURJKSA-N	-1	1	394.383	3.676	50	30		GHEAMM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2C1	ZINC000598801663	859677856	/nfs/dbraw/zinc/67/78/56/859677856.db2.gz	NFACPLYQOSMXCH-LLVKDONJSA-N	-1	1	386.525	3.765	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)s1	ZINC000005884251	204156106	/nfs/dbraw/zinc/15/61/06/204156106.db2.gz	ACWGEVVBWNDRGI-KRWDZBQOSA-N	-1	1	391.452	3.938	50	30		GHEAMM
CCCc1cc(=O)[n-]c(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)n1	ZINC000006016357	521349032	/nfs/dbraw/zinc/34/90/32/521349032.db2.gz	GNZRYRYCFHSDFA-LDADJPATSA-N	-1	1	383.517	3.695	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102803507	525382689	/nfs/dbraw/zinc/38/26/89/525382689.db2.gz	WKDVPOVBGUPKFL-WOOAAIBNSA-N	-1	1	390.395	3.618	50	30		GHEAMM
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc([O-])c3CN(C)C)C1=O)cn2C	ZINC000020647461	525596969	/nfs/dbraw/zinc/59/69/69/525596969.db2.gz	KNOHSJZKBFUZQM-AWQFTUOYSA-N	-1	1	378.428	3.570	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000102930417	526956694	/nfs/dbraw/zinc/95/66/94/526956694.db2.gz	ZPHUDLBFHYEPSW-GROYHEBESA-N	-1	1	391.814	3.756	50	30		GHEAMM
COc1cc(Br)c([O-])c(/C=N/Cc2ccc(OC)c(OC)c2)c1	ZINC000100318583	570270897	/nfs/dbraw/zinc/27/08/97/570270897.db2.gz	FSOLTKHAFYXJIW-VXLYETTFSA-N	-1	1	380.238	3.800	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000013003395	859725922	/nfs/dbraw/zinc/72/59/22/859725922.db2.gz	BKKRVUNQEQDIOV-GOSISDBHSA-N	-1	1	394.383	3.676	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2	ZINC000005860875	204154266	/nfs/dbraw/zinc/15/42/66/204154266.db2.gz	MNRPAROZFRIPHU-OAHLLOKOSA-N	-1	1	385.464	3.974	50	30		GHEAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1OCC	ZINC000010515027	204335384	/nfs/dbraw/zinc/33/53/84/204335384.db2.gz	ARLXHUUBQVSETN-UHFFFAOYSA-N	-1	1	380.853	3.810	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc(Cl)c1)c1ccccc1	ZINC000017180725	526270368	/nfs/dbraw/zinc/27/03/68/526270368.db2.gz	ANGTVFFXXRMBBR-QGZVFWFLSA-N	-1	1	391.814	3.913	50	30		GHEAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1	ZINC000012742826	570986895	/nfs/dbraw/zinc/98/68/95/570986895.db2.gz	GTPYAPLDQSUZRK-UHFFFAOYSA-N	-1	1	396.493	3.907	50	30		GHEAMM
Cc1ccc(/C(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)=N\[O-])cc1	ZINC000012338600	859208720	/nfs/dbraw/zinc/20/87/20/859208720.db2.gz	NOZXGYGSNGFYJO-QFBZFQIZSA-N	-1	1	379.504	3.515	50	30		GHEAMM
Cc1ccc2nc(C3C([O-])=CN(c4ccc(N5CCCCC5)cc4)C3=N)[nH]c2c1	ZINC000008844115	204291945	/nfs/dbraw/zinc/29/19/45/204291945.db2.gz	OEBNLWLVYZMCTF-UHFFFAOYSA-N	-1	1	387.487	3.578	50	30		GHEAMM
C=CCc1c(C)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[n-]c1=O	ZINC000017196062	519121913	/nfs/dbraw/zinc/12/19/13/519121913.db2.gz	LQFULZWRNJNHQE-UHFFFAOYSA-N	-1	1	384.288	3.844	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)no1	ZINC000102801136	525045594	/nfs/dbraw/zinc/04/55/94/525045594.db2.gz	UNDACALHLPDPFD-SELCWUDQSA-N	-1	1	378.359	3.748	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)no1	ZINC000102798882	525046392	/nfs/dbraw/zinc/04/63/92/525046392.db2.gz	CCGBKSFMENZCHR-UYTDBDHRSA-N	-1	1	384.388	3.810	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)o1	ZINC000102498269	525944566	/nfs/dbraw/zinc/94/45/66/525944566.db2.gz	RHKYOWIGMPVGBO-UYTDBDHRSA-N	-1	1	395.802	3.658	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccccc1Cl)c1ccccc1	ZINC000102866310	526957259	/nfs/dbraw/zinc/95/72/59/526957259.db2.gz	BWOVTGZATXTPEM-HVESIFNPSA-N	-1	1	391.814	3.756	50	30		GHEAMM
COc1ccc([C@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000958606	570231935	/nfs/dbraw/zinc/23/19/35/570231935.db2.gz	FAYRYOFLEZZUEF-OAHLLOKOSA-N	-1	1	397.500	3.701	50	30		GHEAMM
C=CCSCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000048365293	570245516	/nfs/dbraw/zinc/24/55/16/570245516.db2.gz	SSYFPYGVZQWCFP-UHFFFAOYSA-N	-1	1	376.503	3.654	50	30		GHEAMM
C=CCn1c(Cc2csc(NC(=O)CCc3cccs3)n2)n[n-]c1=S	ZINC000023041850	570893350	/nfs/dbraw/zinc/89/33/50/570893350.db2.gz	ZNUXOXGIIUMTHM-UHFFFAOYSA-N	-1	1	391.547	3.807	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Oc3ccccc3F)c(F)c2)c(=O)o1	ZINC000222155629	901614084	/nfs/dbraw/zinc/61/40/84/901614084.db2.gz	BGUZVLXDHJYGEL-LQOHYYORSA-N	-1	1	384.334	3.985	50	30		GHEAMM
CCCCCCCCS(=O)(=O)N/N=C/c1ccc([O-])c(Br)c1	ZINC000003083811	520046446	/nfs/dbraw/zinc/04/64/46/520046446.db2.gz	AABAAPQHRXIGTK-SFQUDFHCSA-N	-1	1	391.331	3.769	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)c1	ZINC000102735144	525760416	/nfs/dbraw/zinc/76/04/16/525760416.db2.gz	ZVVBYNJYZRMWAY-HVESIFNPSA-N	-1	1	396.424	3.679	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)c1	ZINC000017056631	525785198	/nfs/dbraw/zinc/78/51/98/525785198.db2.gz	PIOQRZWBVIACIV-HXUWFJFHSA-N	-1	1	386.407	3.873	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000001451105	570226336	/nfs/dbraw/zinc/22/63/36/570226336.db2.gz	HNTGEFIVOJSMHJ-KRWDZBQOSA-N	-1	1	396.424	3.836	50	30		GHEAMM
CCOc1ccc([C@@H]2c3c(=O)[n-]c(SCC)nc3NC3=C2C(=O)CCC3)cc1	ZINC000005997523	570463805	/nfs/dbraw/zinc/46/38/05/570463805.db2.gz	CBXJXILURHSSSV-INIZCTEOSA-N	-1	1	397.500	3.845	50	30		GHEAMM
O=C([O-])COc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1Cl	ZINC000006059543	570927058	/nfs/dbraw/zinc/92/70/58/570927058.db2.gz	ZDBBEFHJDUUXTL-DJKKODMXSA-N	-1	1	388.836	3.607	50	30		GHEAMM
Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)c1	ZINC000057878121	862269306	/nfs/dbraw/zinc/26/93/06/862269306.db2.gz	GSBAZNYEPNVTEE-SFHVURJKSA-N	-1	1	379.412	3.818	50	30		GHEAMM
O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000004312385	862954342	/nfs/dbraw/zinc/95/43/42/862954342.db2.gz	MUAJKKIBMBMEDO-QGZVFWFLSA-N	-1	1	391.814	3.913	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000004312385	862954345	/nfs/dbraw/zinc/95/43/45/862954345.db2.gz	MUAJKKIBMBMEDO-QGZVFWFLSA-N	-1	1	391.814	3.913	50	30		GHEAMM
C=CCn1cc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)cn1	ZINC000082147037	206297167	/nfs/dbraw/zinc/29/71/67/206297167.db2.gz	PIKUTUSAGONHQY-UHFFFAOYSA-N	-1	1	391.471	3.721	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1C)C(C(=O)OCC)=C(C)N2	ZINC000009569613	519080632	/nfs/dbraw/zinc/08/06/32/519080632.db2.gz	TYWBKMRYCXBOQP-MRXNPFEDSA-N	-1	1	397.500	3.751	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102716364	524169331	/nfs/dbraw/zinc/16/93/31/524169331.db2.gz	YKVXVLOGAGTHOD-HVESIFNPSA-N	-1	1	396.424	3.679	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)no1	ZINC000102798426	525047683	/nfs/dbraw/zinc/04/76/83/525047683.db2.gz	MIIDUAIAIFTZKH-GHNGSUTGSA-N	-1	1	396.349	3.888	50	30		GHEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccc(Br)cc2)c1	ZINC000101355558	525780008	/nfs/dbraw/zinc/78/00/08/525780008.db2.gz	KNKVRORXPLKYDF-YBEGLDIGSA-N	-1	1	376.206	3.721	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)o1	ZINC000102712805	525946021	/nfs/dbraw/zinc/94/60/21/525946021.db2.gz	LAOAMPLKOCMOGY-UYTDBDHRSA-N	-1	1	395.802	3.658	50	30		GHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2	ZINC000020589730	570269216	/nfs/dbraw/zinc/26/92/16/570269216.db2.gz	OUWKHKZIVSJMMU-IDUWFGFVSA-N	-1	1	387.819	3.590	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005923840	570462008	/nfs/dbraw/zinc/46/20/08/570462008.db2.gz	FMXOUYJQQQQIAA-HNNXBMFYSA-N	-1	1	396.516	3.868	50	30		GHEAMM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000044827494	570634098	/nfs/dbraw/zinc/63/40/98/570634098.db2.gz	GAJIRMRBWZGLEW-KGENOOAVSA-N	-1	1	394.372	3.966	50	30		GHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005931338	570805048	/nfs/dbraw/zinc/80/50/48/570805048.db2.gz	VCJHGHDMRXMNPP-ABAIWWIYSA-N	-1	1	382.489	3.620	50	30		GHEAMM
O=C1C(=O)C(c2ccc(I)cc2)=C([O-])c2ccccc21	ZINC000005729647	570909011	/nfs/dbraw/zinc/90/90/11/570909011.db2.gz	XVKKNUBFBZVRRP-UHFFFAOYSA-N	-1	1	376.149	3.640	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2	ZINC000004944448	571025613	/nfs/dbraw/zinc/02/56/13/571025613.db2.gz	FCRHOLHKCNXJOP-SNVBAGLBSA-N	-1	1	381.379	3.541	50	30		GHEAMM
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)C2)c1	ZINC000040153409	856685240	/nfs/dbraw/zinc/68/52/40/856685240.db2.gz	PERQVYOONLXHRG-LBPRGKRZSA-N	-1	1	395.385	3.581	50	30		GHEAMM
N#Cc1cc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)c[nH]1	ZINC000095525037	208221687	/nfs/dbraw/zinc/22/16/87/208221687.db2.gz	XWYBKBKCOSBVNK-UHFFFAOYSA-N	-1	1	375.428	3.538	50	30		GHEAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1	ZINC000022756418	522159796	/nfs/dbraw/zinc/15/97/96/522159796.db2.gz	HEEPIKDLEVDKEV-UHFFFAOYSA-N	-1	1	397.477	3.735	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1ccccn1	ZINC000102858654	524801696	/nfs/dbraw/zinc/80/16/96/524801696.db2.gz	FPTRVBCZHXFQAF-GHNGSUTGSA-N	-1	1	392.436	3.778	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)no1	ZINC000102804362	525045856	/nfs/dbraw/zinc/04/58/56/525045856.db2.gz	NWMIPYCTUWVQON-SELCWUDQSA-N	-1	1	396.349	3.888	50	30		GHEAMM
O=S(=O)([N-]c1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)OCCO2	ZINC000023042587	570297707	/nfs/dbraw/zinc/29/77/07/570297707.db2.gz	JASQMKRKBBMODC-UHFFFAOYSA-N	-1	1	397.477	3.720	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1	ZINC000006412887	570405407	/nfs/dbraw/zinc/40/54/07/570405407.db2.gz	UOIGFWJJOWWEIF-LJQANCHMSA-N	-1	1	390.395	3.775	50	30		GHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000008569394	570534416	/nfs/dbraw/zinc/53/44/16/570534416.db2.gz	KOUADNLKSFBVHX-OAHLLOKOSA-N	-1	1	397.500	3.788	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)c1	ZINC000005800535	570693534	/nfs/dbraw/zinc/69/35/34/570693534.db2.gz	HOBWIUAGGXDUHQ-IBGZPJMESA-N	-1	1	390.395	3.775	50	30		GHEAMM
COc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2s1	ZINC000170617709	570875205	/nfs/dbraw/zinc/87/52/05/570875205.db2.gz	CLKIZDNQWLYELE-UHFFFAOYSA-N	-1	1	379.850	3.631	50	30		GHEAMM
CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1	ZINC000104221834	570899046	/nfs/dbraw/zinc/89/90/46/570899046.db2.gz	RVJREFVRUZMQBQ-YHYXMXQVSA-N	-1	1	390.848	3.589	50	30		GHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000020064956	860478674	/nfs/dbraw/zinc/47/86/74/860478674.db2.gz	QDBQPUAYWGLFIS-FQEVSTJZSA-N	-1	1	393.439	3.910	50	30		GHEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1cc(Br)cc2c1OCOC2	ZINC000006101999	206294739	/nfs/dbraw/zinc/29/47/39/206294739.db2.gz	XDANMVGBNRBXPG-WCSRMQSCSA-N	-1	1	375.174	3.637	50	30		GHEAMM
CC1(C)SC(=S)N(/N=C/c2ccco2)[C@@H]1N([O-])C(=O)Nc1ccccc1	ZINC000001054998	206347631	/nfs/dbraw/zinc/34/76/31/206347631.db2.gz	UVAHYLAZCRESMS-XWAFYUISSA-N	-1	1	390.490	3.975	50	30		GHEAMM
COc1ccc(C=Nn2cc([O-])c(-c3nc4ccccc4s3)c2N)cc1O	ZINC000102727657	523441985	/nfs/dbraw/zinc/44/19/85/523441985.db2.gz	YOUVTKCQUAQQLV-QFGMBERTSA-N	-1	1	380.429	3.607	50	30		GHEAMM
COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1COc1ccc(C#N)cc1	ZINC000002791431	523455030	/nfs/dbraw/zinc/45/50/30/523455030.db2.gz	RXQJRRMEXFQPDX-SRZZPIQSSA-N	-1	1	379.445	3.591	50	30		GHEAMM
COc1ccc(C=Nn2cn[n-]c2=S)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000002792368	523459221	/nfs/dbraw/zinc/45/92/21/523459221.db2.gz	DFHYPLLDMOCGIA-AWQFTUOYSA-N	-1	1	399.432	3.627	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nccs2)c1	ZINC000096336512	524172788	/nfs/dbraw/zinc/17/27/88/524172788.db2.gz	ISBNKGKQLWKJEP-HNNXBMFYSA-N	-1	1	382.397	3.528	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)o1	ZINC000102802821	525046204	/nfs/dbraw/zinc/04/62/04/525046204.db2.gz	HFWWQJGIZOMCOZ-GROYHEBESA-N	-1	1	382.347	3.650	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)s1	ZINC000006161070	570279375	/nfs/dbraw/zinc/27/93/75/570279375.db2.gz	FWOMNUDWVLYYOY-MRXNPFEDSA-N	-1	1	395.415	3.769	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)o1	ZINC000005053344	570406532	/nfs/dbraw/zinc/40/65/32/570406532.db2.gz	PWSVPBVYJBWRRP-GOSISDBHSA-N	-1	1	378.384	3.976	50	30		GHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000006001970	570464058	/nfs/dbraw/zinc/46/40/58/570464058.db2.gz	KOUADNLKSFBVHX-HNNXBMFYSA-N	-1	1	397.500	3.788	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)s1	ZINC000006622069	570485364	/nfs/dbraw/zinc/48/53/64/570485364.db2.gz	ACWGEVVBWNDRGI-QGZVFWFLSA-N	-1	1	391.452	3.938	50	30		GHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(Cl)c1	ZINC000006813507	570494964	/nfs/dbraw/zinc/49/49/64/570494964.db2.gz	TURNBONUJURNIW-HNNXBMFYSA-N	-1	1	381.775	3.506	50	30		GHEAMM
Cc1ccc([C@@H]2C(C(=O)C3CC3)=C(O)C(=O)N2c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000058306438	570725802	/nfs/dbraw/zinc/72/58/02/570725802.db2.gz	GMGWQLOWROJYPR-LJQANCHMSA-N	-1	1	391.423	3.881	50	30		GHEAMM
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)C2)c1	ZINC000040153410	856685177	/nfs/dbraw/zinc/68/51/77/856685177.db2.gz	PERQVYOONLXHRG-GFCCVEGCSA-N	-1	1	395.385	3.581	50	30		GHEAMM
COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218359906	895453989	/nfs/dbraw/zinc/45/39/89/895453989.db2.gz	GDORWVZSHUYQCT-GFCCVEGCSA-N	-1	1	390.313	3.642	50	30		GHEAMM
COc1cccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)c1	ZINC000000937251	206334020	/nfs/dbraw/zinc/33/40/20/206334020.db2.gz	CBAYGLLQGXKTRW-MRXNPFEDSA-N	-1	1	397.500	3.844	50	30		GHEAMM
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(CC)c(C)s2)C1=O	ZINC000098050539	520068425	/nfs/dbraw/zinc/06/84/25/520068425.db2.gz	AZGJDZVRWXRZDW-LJQANCHMSA-N	-1	1	379.526	3.935	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)no1	ZINC000102803957	525046163	/nfs/dbraw/zinc/04/61/63/525046163.db2.gz	RRIWIRZHFVYHKC-IBOXJLQUSA-N	-1	1	384.775	3.856	50	30		GHEAMM
Cc1cc(Cl)c(S(=O)(=O)[N-]/N=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000001176052	570254062	/nfs/dbraw/zinc/25/40/62/570254062.db2.gz	MEYCONGMWPCPDR-CAOOACKPSA-N	-1	1	388.232	3.522	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)o1	ZINC000006813295	570494943	/nfs/dbraw/zinc/49/49/43/570494943.db2.gz	GUFLMJGEEYIRGP-MRXNPFEDSA-N	-1	1	395.802	3.814	50	30		GHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc(Cl)c1	ZINC000006813505	570495015	/nfs/dbraw/zinc/49/50/15/570495015.db2.gz	TURNBONUJURNIW-OAHLLOKOSA-N	-1	1	381.775	3.506	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000104248966	570898929	/nfs/dbraw/zinc/89/89/29/570898929.db2.gz	AKEXBZLHASRRLX-GROYHEBESA-N	-1	1	391.452	3.781	50	30		GHEAMM
O=C([O-])COc1ccccc1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1	ZINC000006059535	570926873	/nfs/dbraw/zinc/92/68/73/570926873.db2.gz	IPPMMIALTHGCBF-DJKKODMXSA-N	-1	1	388.836	3.607	50	30		GHEAMM
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008739378	856337726	/nfs/dbraw/zinc/33/77/26/856337726.db2.gz	DJWNRLYXKNIOQP-SFHVURJKSA-N	-1	1	394.383	3.758	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1	ZINC000008914213	856647956	/nfs/dbraw/zinc/64/79/56/856647956.db2.gz	JCJDMELQQQTGDN-MRXNPFEDSA-N	-1	1	395.415	3.769	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Oc3ccccc3F)c(F)c2)c(=O)o1	ZINC000222155693	901614528	/nfs/dbraw/zinc/61/45/28/901614528.db2.gz	BGUZVLXDHJYGEL-LZVBJTEYSA-N	-1	1	384.334	3.985	50	30		GHEAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NCc1ccccc1	ZINC000254343214	916537047	/nfs/dbraw/zinc/53/70/47/916537047.db2.gz	VQWLPUFTPGDTKJ-UHFFFAOYSA-N	-1	1	396.428	3.842	50	30		GHEAMM
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102695473	521265169	/nfs/dbraw/zinc/26/51/69/521265169.db2.gz	HGQXUCPQZRRDPD-GHNGSUTGSA-N	-1	1	394.383	3.601	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)o1	ZINC000102712808	525946046	/nfs/dbraw/zinc/94/60/46/525946046.db2.gz	LAOAMPLKOCMOGY-IBOXJLQUSA-N	-1	1	395.802	3.658	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)o1	ZINC000013208641	526027568	/nfs/dbraw/zinc/02/75/68/526027568.db2.gz	PVSZHJRLWWXDMC-KRWDZBQOSA-N	-1	1	382.347	3.806	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000102798969	526957196	/nfs/dbraw/zinc/95/71/96/526957196.db2.gz	GLOSQQFJCRLFEQ-IBOXJLQUSA-N	-1	1	380.400	3.909	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1	ZINC000005596040	570448358	/nfs/dbraw/zinc/44/83/58/570448358.db2.gz	ZNAPYVNPKFEOAF-QGZVFWFLSA-N	-1	1	393.349	3.538	50	30		GHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)s1	ZINC000005818723	570458399	/nfs/dbraw/zinc/45/83/99/570458399.db2.gz	NDORBBLSAHHVSA-INIZCTEOSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)s1	ZINC000005818723	570458402	/nfs/dbraw/zinc/45/84/02/570458402.db2.gz	NDORBBLSAHHVSA-INIZCTEOSA-N	-1	1	377.425	3.629	50	30		GHEAMM
CN(C)c1ccc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006693411	570538187	/nfs/dbraw/zinc/53/81/87/570538187.db2.gz	FSKHQWDUHLJRIT-OAHLLOKOSA-N	-1	1	396.516	3.699	50	30		GHEAMM
C=CCOc1ccc(C=N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000006780866	570588481	/nfs/dbraw/zinc/58/84/81/570588481.db2.gz	BUPPVFISBTYARZ-UHFFFAOYSA-N	-1	1	385.272	3.871	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000005847687	570796789	/nfs/dbraw/zinc/79/67/89/570796789.db2.gz	HWNLPFWHQYQDDJ-HNNXBMFYSA-N	-1	1	383.448	3.752	50	30		GHEAMM
CC(C)Oc1c(I)cc(Br)cc1C=N[O-]	ZINC000252617912	571019939	/nfs/dbraw/zinc/01/99/39/571019939.db2.gz	LBCHUJFQKJSFDJ-UHFFFAOYSA-N	-1	1	384.011	3.649	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC(F)(F)F)CC(=O)N2	ZINC000820497015	862010705	/nfs/dbraw/zinc/01/07/05/862010705.db2.gz	AFJOCFMWBAUPOK-JTQLQIEISA-N	-1	1	397.378	3.833	50	30		GHEAMM
N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1	ZINC000003393137	862383837	/nfs/dbraw/zinc/38/38/37/862383837.db2.gz	HPLYKNCHKACYMH-UHFFFAOYSA-N	-1	1	395.415	3.750	50	30		GHEAMM
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(CC)c(C)s2)C1=O	ZINC000098050540	520069650	/nfs/dbraw/zinc/06/96/50/520069650.db2.gz	AZGJDZVRWXRZDW-IBGZPJMESA-N	-1	1	379.526	3.935	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)no1	ZINC000102724222	525048409	/nfs/dbraw/zinc/04/84/09/525048409.db2.gz	KPGQXMOPNZXFKF-UYTDBDHRSA-N	-1	1	384.775	3.856	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102877196	525214041	/nfs/dbraw/zinc/21/40/41/525214041.db2.gz	UGVNWAYELMODSX-GROYHEBESA-N	-1	1	392.436	3.778	50	30		GHEAMM
N#C[C@@H](C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccccn1	ZINC000032682219	526493760	/nfs/dbraw/zinc/49/37/60/526493760.db2.gz	ZZQKPWHANLYCJD-GOSISDBHSA-N	-1	1	395.415	3.512	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(Cl)c1)c1ccccc1	ZINC000102498142	526957802	/nfs/dbraw/zinc/95/78/02/526957802.db2.gz	ZKNXCFAOEQFUFO-HVESIFNPSA-N	-1	1	391.814	3.756	50	30		GHEAMM
Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000005818323	570458223	/nfs/dbraw/zinc/45/82/23/570458223.db2.gz	JAKMIOWFRLYOAX-INIZCTEOSA-N	-1	1	395.415	3.769	50	30		GHEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005864558	570459679	/nfs/dbraw/zinc/45/96/79/570459679.db2.gz	AZXHSQACRUSXBK-AWEZNQCLSA-N	-1	1	385.464	3.832	50	30		GHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2	ZINC000005931272	570461961	/nfs/dbraw/zinc/46/19/61/570461961.db2.gz	DTPVECSAUYDXJB-MRXNPFEDSA-N	-1	1	396.516	3.512	50	30		GHEAMM
O=C1Nc2ccccc2/C1=N/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000006258052	570474415	/nfs/dbraw/zinc/47/44/15/570474415.db2.gz	HCIODBVZYCLVMR-UHFFFAOYSA-N	-1	1	395.415	3.699	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)s1	ZINC000005800693	570535441	/nfs/dbraw/zinc/53/54/41/570535441.db2.gz	JQABHQTYEDVZIT-QGZVFWFLSA-N	-1	1	391.452	3.938	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000005800551	570693606	/nfs/dbraw/zinc/69/36/06/570693606.db2.gz	DTUAIIPCDIPXOQ-IBGZPJMESA-N	-1	1	390.395	3.775	50	30		GHEAMM
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccncc2)c1	ZINC000016736693	570932160	/nfs/dbraw/zinc/93/21/60/570932160.db2.gz	BWKPUNPFUUCVKR-KRWDZBQOSA-N	-1	1	391.452	3.938	50	30		GHEAMM
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)CCC1Cc2ccccc2C1	ZINC000328596266	860184465	/nfs/dbraw/zinc/18/44/65/860184465.db2.gz	ZOADHRKXBAWMQN-UHFFFAOYSA-N	-1	1	388.489	3.850	50	30		GHEAMM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc([O-])c(Cl)c1	ZINC000019804840	522886514	/nfs/dbraw/zinc/88/65/14/522886514.db2.gz	AWGJTPJNDKAZIV-KRWDZBQOSA-N	-1	1	381.815	3.787	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1	ZINC000102878945	523377154	/nfs/dbraw/zinc/37/71/54/523377154.db2.gz	PBXFQXYMXHPNJG-LFVOPCPISA-N	-1	1	390.395	3.618	50	30		GHEAMM
COc1ccc(OC)c(C(=O)C=C([O-])C(=O)Nc2cccc(Cl)c2C)c1	ZINC000101355621	524802161	/nfs/dbraw/zinc/80/21/61/524802161.db2.gz	KDQURHNOQGNFGC-YVLHZVERSA-N	-1	1	375.808	3.929	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)no1	ZINC000102862469	525046755	/nfs/dbraw/zinc/04/67/55/525046755.db2.gz	VMLAGBCKJPVBSH-HVESIFNPSA-N	-1	1	395.802	3.658	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102803504	525213829	/nfs/dbraw/zinc/21/38/29/525213829.db2.gz	WKDVPOVBGUPKFL-LFVOPCPISA-N	-1	1	390.395	3.618	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000013570355	525392877	/nfs/dbraw/zinc/39/28/77/525392877.db2.gz	VSSVFGJMNDYTEF-KRWDZBQOSA-N	-1	1	396.424	3.836	50	30		GHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1	ZINC000005800529	570693590	/nfs/dbraw/zinc/69/35/90/570693590.db2.gz	XKEXMFBTIDBTKE-KRWDZBQOSA-N	-1	1	396.424	3.836	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1	ZINC000005800529	570693592	/nfs/dbraw/zinc/69/35/92/570693592.db2.gz	XKEXMFBTIDBTKE-KRWDZBQOSA-N	-1	1	396.424	3.836	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000013003384	570741134	/nfs/dbraw/zinc/74/11/34/570741134.db2.gz	BCJLMKQFRCGVOF-SFHVURJKSA-N	-1	1	394.383	3.676	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000004427268	570756596	/nfs/dbraw/zinc/75/65/96/570756596.db2.gz	OFNGAAZNALFDGZ-GHNGSUTGSA-N	-1	1	399.830	3.627	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2	ZINC000006009463	570813950	/nfs/dbraw/zinc/81/39/50/570813950.db2.gz	VYTHFNYUCSLARD-MRXNPFEDSA-N	-1	1	395.484	3.621	50	30		GHEAMM
CC[C@@H](Sc1nnc([N-]C(=O)c2nc3ccccc3s2)s1)C(=O)OC	ZINC000042379308	570890400	/nfs/dbraw/zinc/89/04/00/570890400.db2.gz	GPLJUJIOKMWTMV-SECBINFHSA-N	-1	1	394.503	3.828	50	30		GHEAMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1sc(C)c(C)c1C#N	ZINC000033367796	570998303	/nfs/dbraw/zinc/99/83/03/570998303.db2.gz	PXERWUDDBGWZBF-AUWJEWJLSA-N	-1	1	398.513	3.741	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(O)cc2)no1	ZINC000008913977	856647986	/nfs/dbraw/zinc/64/79/86/856647986.db2.gz	JWCBMAPSBWWXOG-MRXNPFEDSA-N	-1	1	382.397	3.533	50	30		GHEAMM
COC(=O)C[C@@H](c1ccc(SC)cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217910431	894660571	/nfs/dbraw/zinc/66/05/71/894660571.db2.gz	FMQBOXWZNKMYGD-INIZCTEOSA-N	-1	1	382.437	3.947	50	30	biogenic	GHEAMM
COC(=O)C[C@H](c1ccc(O)c(Cl)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217693654	533708235	/nfs/dbraw/zinc/70/82/35/533708235.db2.gz	PXXNNVCJBVMQDF-CYBMUJFWSA-N	-1	1	386.787	3.584	50	30	biogenic	GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1C)C(C(=O)OCC)=C(C)N2	ZINC000009569614	519080557	/nfs/dbraw/zinc/08/05/57/519080557.db2.gz	TYWBKMRYCXBOQP-INIZCTEOSA-N	-1	1	397.500	3.751	50	30		GHEAMM
COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1	ZINC000101355067	523535125	/nfs/dbraw/zinc/53/51/25/523535125.db2.gz	NTZMAKWLTQLYNR-UNOMPAQXSA-N	-1	1	383.400	3.524	50	30		GHEAMM
CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000009373758	524034818	/nfs/dbraw/zinc/03/48/18/524034818.db2.gz	GKCZFMVGRHSUEB-GOSISDBHSA-N	-1	1	378.384	3.921	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1ccccn1	ZINC000102858651	524744544	/nfs/dbraw/zinc/74/45/44/524744544.db2.gz	FPTRVBCZHXFQAF-SELCWUDQSA-N	-1	1	392.436	3.778	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2cccc(F)c2)cc1	ZINC000017145905	526023047	/nfs/dbraw/zinc/02/30/47/526023047.db2.gz	ODWVEPCSZDREOX-LJQANCHMSA-N	-1	1	397.402	3.577	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1	ZINC000102801329	526353719	/nfs/dbraw/zinc/35/37/19/526353719.db2.gz	MVXREOWYHZVVPE-IBOXJLQUSA-N	-1	1	395.415	3.612	50	30		GHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1ccccc1F	ZINC000008996275	570546033	/nfs/dbraw/zinc/54/60/33/570546033.db2.gz	YYDPPCFHBJUJMY-ZDUSSCGKSA-N	-1	1	387.417	3.522	50	30		GHEAMM
CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005858731	570797679	/nfs/dbraw/zinc/79/76/79/570797679.db2.gz	MSOWVDMXMXMTKT-MRXNPFEDSA-N	-1	1	396.516	3.868	50	30		GHEAMM
Cc1ccc(NC2=C(C(=O)c3ccccc3)[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000004548566	570896927	/nfs/dbraw/zinc/89/69/27/570896927.db2.gz	HEUHDNBCINTCAO-UHFFFAOYSA-N	-1	1	390.464	3.951	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000104193527	570898033	/nfs/dbraw/zinc/89/80/33/570898033.db2.gz	PXBFNQPBLYLHMR-IBOXJLQUSA-N	-1	1	395.415	3.612	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)c(=O)o1	ZINC000102598454	895199651	/nfs/dbraw/zinc/19/96/51/895199651.db2.gz	PPGYJHHYLHEGLT-WOMSROEHSA-N	-1	1	379.195	3.540	50	30		GHEAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(Br)cc2)cc1	ZINC000100777453	524450577	/nfs/dbraw/zinc/45/05/77/524450577.db2.gz	LCLOZVBXDHNDBP-YBEGLDIGSA-N	-1	1	376.206	3.721	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)no1	ZINC000102803807	525046928	/nfs/dbraw/zinc/04/69/28/525046928.db2.gz	NDTBIFOJIFYFCB-GHNGSUTGSA-N	-1	1	378.359	3.748	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(C)cc2)cc1	ZINC000019923058	526021014	/nfs/dbraw/zinc/02/10/14/526021014.db2.gz	SBTAFGRGXLBBRS-FQEVSTJZSA-N	-1	1	393.439	3.747	50	30		GHEAMM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccco2)sc1C	ZINC000102861693	526960654	/nfs/dbraw/zinc/96/06/54/526960654.db2.gz	RORWUNNAQKBHSI-UYTDBDHRSA-N	-1	1	380.425	3.979	50	30		GHEAMM
Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000005818305	570458149	/nfs/dbraw/zinc/45/81/49/570458149.db2.gz	JAKMIOWFRLYOAX-MRXNPFEDSA-N	-1	1	395.415	3.769	50	30		GHEAMM
CCOc1ccc([C@H]2c3c(=O)[n-]c(SCC)nc3NC3=C2C(=O)CCC3)cc1	ZINC000005997552	570464044	/nfs/dbraw/zinc/46/40/44/570464044.db2.gz	CBXJXILURHSSSV-MRXNPFEDSA-N	-1	1	397.500	3.845	50	30		GHEAMM
CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005858749	570797570	/nfs/dbraw/zinc/79/75/70/570797570.db2.gz	MSOWVDMXMXMTKT-INIZCTEOSA-N	-1	1	396.516	3.868	50	30		GHEAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005868829	570799366	/nfs/dbraw/zinc/79/93/66/570799366.db2.gz	PJSIWJUQMKQYGA-HNNXBMFYSA-N	-1	1	382.489	3.622	50	30		GHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005931346	570804974	/nfs/dbraw/zinc/80/49/74/570804974.db2.gz	ZGOMWVPFIFNXRE-ABAIWWIYSA-N	-1	1	382.489	3.620	50	30		GHEAMM
O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000004312384	862954535	/nfs/dbraw/zinc/95/45/35/862954535.db2.gz	MUAJKKIBMBMEDO-KRWDZBQOSA-N	-1	1	391.814	3.913	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000004312384	862954541	/nfs/dbraw/zinc/95/45/41/862954541.db2.gz	MUAJKKIBMBMEDO-KRWDZBQOSA-N	-1	1	391.814	3.913	50	30		GHEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OCc1ccccc1	ZINC000105639750	890469254	/nfs/dbraw/zinc/46/92/54/890469254.db2.gz	SCKDOMISYCQQDY-XGEAVTJYSA-N	-1	1	392.407	3.502	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)no1	ZINC000102733388	525047786	/nfs/dbraw/zinc/04/77/86/525047786.db2.gz	UVINXAOLCKKYDN-IBOXJLQUSA-N	-1	1	384.388	3.810	50	30		GHEAMM
O=S(=O)([N-]/N=C/c1cc(O)ccc1Cl)c1ccc(Cl)cc1Cl	ZINC000002573715	570291264	/nfs/dbraw/zinc/29/12/64/570291264.db2.gz	QLVCWEBGSOHKGB-REZTVBANSA-N	-1	1	379.652	3.665	50	30		GHEAMM
C=C(C)Cn1c(SCc2cc(=O)[nH][n-]2)nc2sc3c(c2c1=O)CCCC3	ZINC000004911314	570363212	/nfs/dbraw/zinc/36/32/12/570363212.db2.gz	WSZRRWVAAOEWCR-UHFFFAOYSA-N	-1	1	388.518	3.634	50	30		GHEAMM
CCCN(CCC)C1=C(C(=O)c2ccccc2)[N-]S(=O)(=O)c2ccccc21	ZINC000004817075	570408199	/nfs/dbraw/zinc/40/81/99/570408199.db2.gz	BHONHGMXMVGPJG-UHFFFAOYSA-N	-1	1	384.501	3.652	50	30		GHEAMM
Cc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ncccn2)cc1	ZINC000006813193	570616941	/nfs/dbraw/zinc/61/69/41/570616941.db2.gz	WBRPGSSPGFOJPZ-MRXNPFEDSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ncccn2)cc1	ZINC000006813193	570616942	/nfs/dbraw/zinc/61/69/42/570616942.db2.gz	WBRPGSSPGFOJPZ-MRXNPFEDSA-N	-1	1	377.425	3.629	50	30		GHEAMM
COc1ccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)cc1	ZINC000005860764	570797940	/nfs/dbraw/zinc/79/79/40/570797940.db2.gz	FIMHSOQCZMIDQR-MRXNPFEDSA-N	-1	1	397.500	3.844	50	30		GHEAMM
COc1cc(/C=N/[O-])c(Br)cc1OCC(=O)Nc1ccccc1C	ZINC000015989819	570910750	/nfs/dbraw/zinc/91/07/50/570910750.db2.gz	OYWLVJVNKNVMDY-DJKKODMXSA-N	-1	1	393.237	3.592	50	30		GHEAMM
COc1ccc(OC)c(C(=O)C=C([O-])C(=O)Nc2cc(Cl)ccc2OC)c1	ZINC000101355607	524802402	/nfs/dbraw/zinc/80/24/02/524802402.db2.gz	KENXYGQXUYPMRP-YBEGLDIGSA-N	-1	1	391.807	3.629	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)no1	ZINC000017858019	525050550	/nfs/dbraw/zinc/05/05/50/525050550.db2.gz	VASJWERYFQUINM-LJQANCHMSA-N	-1	1	390.395	3.780	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2)s1	ZINC000102925269	526355225	/nfs/dbraw/zinc/35/52/25/526355225.db2.gz	MWFWIGZJGBIDEA-SXWSKBOKSA-N	-1	1	383.454	3.534	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)no1	ZINC000005800520	570693489	/nfs/dbraw/zinc/69/34/89/570693489.db2.gz	HJWNBNZHQUEZCH-SFHVURJKSA-N	-1	1	378.359	3.905	50	30		GHEAMM
O=C1Nc2ccccc2/C1=N\c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000004022972	862719312	/nfs/dbraw/zinc/71/93/12/862719312.db2.gz	VHBOXSNWGUWHIH-UHFFFAOYSA-N	-1	1	377.425	3.560	50	30		GHEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OCc1ccccc1	ZINC000105639744	890469363	/nfs/dbraw/zinc/46/93/63/890469363.db2.gz	SCKDOMISYCQQDY-ZVXDMYHRSA-N	-1	1	392.407	3.502	50	30		GHEAMM
CC1(C)SC(=S)N(/N=C/c2ccco2)[C@H]1N([O-])C(=O)Nc1ccccc1	ZINC000001055005	206347744	/nfs/dbraw/zinc/34/77/44/206347744.db2.gz	UVAHYLAZCRESMS-BGARDKSCSA-N	-1	1	390.490	3.975	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N2	ZINC000009569616	519080650	/nfs/dbraw/zinc/08/06/50/519080650.db2.gz	UUHVCLJQTUFDBB-MRXNPFEDSA-N	-1	1	397.500	3.751	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nccs2)c1	ZINC000096336508	524172766	/nfs/dbraw/zinc/17/27/66/524172766.db2.gz	SBOPMOHOEBERNN-HNNXBMFYSA-N	-1	1	398.465	3.996	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)no1	ZINC000102804366	525046629	/nfs/dbraw/zinc/04/66/29/525046629.db2.gz	NWMIPYCTUWVQON-GHNGSUTGSA-N	-1	1	396.349	3.888	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)o1	ZINC000102498278	525945021	/nfs/dbraw/zinc/94/50/21/525945021.db2.gz	RHKYOWIGMPVGBO-IBOXJLQUSA-N	-1	1	395.802	3.658	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)s1	ZINC000102797674	526354267	/nfs/dbraw/zinc/35/42/67/526354267.db2.gz	WCCGBZNCQJQWKU-IBOXJLQUSA-N	-1	1	395.415	3.612	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005923716	570462087	/nfs/dbraw/zinc/46/20/87/570462087.db2.gz	FMXOUYJQQQQIAA-OAHLLOKOSA-N	-1	1	396.516	3.868	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2	ZINC000006355781	570477802	/nfs/dbraw/zinc/47/78/02/570477802.db2.gz	WAGBFJNWXCRKFH-MRXNPFEDSA-N	-1	1	397.500	3.845	50	30		GHEAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NC1C[C@H]2CC=C[C@@H]12	ZINC000254705540	916893027	/nfs/dbraw/zinc/89/30/27/916893027.db2.gz	KLANTZAZLUKKIA-CZUORRHYSA-N	-1	1	398.444	3.760	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)o1	ZINC000102726435	525045339	/nfs/dbraw/zinc/04/53/39/525045339.db2.gz	PGJXERQWXDWQNP-SELCWUDQSA-N	-1	1	378.384	3.819	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)no1	ZINC000005800495	570693483	/nfs/dbraw/zinc/69/34/83/570693483.db2.gz	ARHCITKVWVTSBY-MRXNPFEDSA-N	-1	1	384.388	3.967	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)s1)C1=C(CCCC1=O)N2	ZINC000005887164	570800450	/nfs/dbraw/zinc/80/04/50/570800450.db2.gz	JWDKBGSAKYAIQX-OAHLLOKOSA-N	-1	1	385.514	3.982	50	30		GHEAMM
Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000104185347	570897067	/nfs/dbraw/zinc/89/70/67/570897067.db2.gz	IJKUSTKOEXVHOS-UYTDBDHRSA-N	-1	1	395.415	3.612	50	30		GHEAMM
Cc1cc(C)c(C#N)c(SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[n-]2)n1	ZINC000008854853	856387270	/nfs/dbraw/zinc/38/72/70/856387270.db2.gz	LHEMXVWORLMXRT-UHFFFAOYSA-N	-1	1	384.377	3.555	50	30		GHEAMM
Cc1nn(-c2ccccc2Cl)c(Cl)c1C=NNc1nc(C)cc(=O)[n-]1	ZINC000606346818	859834689	/nfs/dbraw/zinc/83/46/89/859834689.db2.gz	BRYGUYDFOAUGPN-UHFFFAOYSA-N	-1	1	377.235	3.738	50	30		GHEAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NC1C[C@H]2CC=C[C@H]12	ZINC000254705539	916893203	/nfs/dbraw/zinc/89/32/03/916893203.db2.gz	KLANTZAZLUKKIA-CJNGLKHVSA-N	-1	1	398.444	3.760	50	30		GHEAMM
C=CCn1c(Cc2csc(NC(=O)c3cccc(F)c3)n2)n[n-]c1=S	ZINC000012823864	519194533	/nfs/dbraw/zinc/19/45/33/519194533.db2.gz	REHZEYZEABAYQT-UHFFFAOYSA-N	-1	1	375.454	3.565	50	30		GHEAMM
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc([O-])c3CN(C)C)C1=O)cn2C	ZINC000028182519	525599591	/nfs/dbraw/zinc/59/95/91/525599591.db2.gz	KNOHSJZKBFUZQM-UKWGHVSLSA-N	-1	1	378.428	3.570	50	30		GHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1O	ZINC000096336111	526833234	/nfs/dbraw/zinc/83/32/34/526833234.db2.gz	DGSQNXCKDUCNJV-AWEZNQCLSA-N	-1	1	384.438	3.693	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1	ZINC000006444660	570423711	/nfs/dbraw/zinc/42/37/11/570423711.db2.gz	AKPYBJDIMPFPKG-MRXNPFEDSA-N	-1	1	395.415	3.769	50	30		GHEAMM
CN(C)c1ccc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006693408	570538152	/nfs/dbraw/zinc/53/81/52/570538152.db2.gz	FSKHQWDUHLJRIT-HNNXBMFYSA-N	-1	1	396.516	3.699	50	30		GHEAMM
O=[N+]([O-])c1ccc(S(=O)(=O)N=C([O-])Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000044123874	570632020	/nfs/dbraw/zinc/63/20/20/570632020.db2.gz	ABYBLUFGBBBGOG-UHFFFAOYSA-N	-1	1	390.204	3.616	50	30		GHEAMM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000044123874	570632022	/nfs/dbraw/zinc/63/20/22/570632022.db2.gz	ABYBLUFGBBBGOG-UHFFFAOYSA-N	-1	1	390.204	3.616	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2	ZINC000006009080	570813874	/nfs/dbraw/zinc/81/38/74/570813874.db2.gz	MSUHZZIRIIPFGJ-MRXNPFEDSA-N	-1	1	395.484	3.621	50	30		GHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cccc(C)c1	ZINC000001274522	570952766	/nfs/dbraw/zinc/95/27/66/570952766.db2.gz	NDKRISOEDOWGCA-UHFFFAOYSA-N	-1	1	381.457	3.826	50	30		GHEAMM
COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C#N)c1C	ZINC000002998866	862090770	/nfs/dbraw/zinc/09/07/70/862090770.db2.gz	KOTKFTWQPUDGNZ-UHFFFAOYSA-N	-1	1	379.781	3.529	50	30		GHEAMM
COc1cccc([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000018168451	207094471	/nfs/dbraw/zinc/09/44/71/207094471.db2.gz	FBDZXOVOGZIYHZ-HNNXBMFYSA-N	-1	1	397.500	3.701	50	30		GHEAMM
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3ccoc3)[C@H]2c2ccco2)s1	ZINC000032609562	519889229	/nfs/dbraw/zinc/88/92/29/519889229.db2.gz	RWGFJJYOPCBMKQ-CYBMUJFWSA-N	-1	1	385.401	3.630	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)no1	ZINC000102535898	525047023	/nfs/dbraw/zinc/04/70/23/525047023.db2.gz	PZMMAVUUIWHKSZ-GROYHEBESA-N	-1	1	395.802	3.658	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000013570356	525223973	/nfs/dbraw/zinc/22/39/73/525223973.db2.gz	VSSVFGJMNDYTEF-QGZVFWFLSA-N	-1	1	396.424	3.836	50	30		GHEAMM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000033676481	526428468	/nfs/dbraw/zinc/42/84/68/526428468.db2.gz	ANUINNMGSLTZAG-KGENOOAVSA-N	-1	1	394.372	3.966	50	30		GHEAMM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nncs2)cc1	ZINC000005818308	570458273	/nfs/dbraw/zinc/45/82/73/570458273.db2.gz	JOWHSPFMOAYWFP-MRXNPFEDSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000005818308	570458275	/nfs/dbraw/zinc/45/82/75/570458275.db2.gz	JOWHSPFMOAYWFP-MRXNPFEDSA-N	-1	1	377.425	3.629	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F)c1ccc(F)cc1	ZINC000006554076	570483029	/nfs/dbraw/zinc/48/30/29/570483029.db2.gz	IJMNGIXMOYWUCV-QGZVFWFLSA-N	-1	1	393.349	3.538	50	30		GHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(F)cc1	ZINC000008996343	570545946	/nfs/dbraw/zinc/54/59/46/570545946.db2.gz	XPGBXCWJQPANRD-CYBMUJFWSA-N	-1	1	387.417	3.522	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)no1	ZINC000005800492	570693584	/nfs/dbraw/zinc/69/35/84/570693584.db2.gz	HJWNBNZHQUEZCH-GOSISDBHSA-N	-1	1	378.359	3.905	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000005923894	570804437	/nfs/dbraw/zinc/80/44/37/570804437.db2.gz	ONGGRVLZNVRERD-HNNXBMFYSA-N	-1	1	385.464	3.976	50	30		GHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005931438	570804842	/nfs/dbraw/zinc/80/48/42/570804842.db2.gz	ZGOMWVPFIFNXRE-NHYWBVRUSA-N	-1	1	382.489	3.620	50	30		GHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005931324	570805030	/nfs/dbraw/zinc/80/50/30/570805030.db2.gz	VCJHGHDMRXMNPP-IAQYHMDHSA-N	-1	1	382.489	3.620	50	30		GHEAMM
COc1ccc(C=Nn2cn[n-]c2=S)cc1COc1ccc2c(c1)CCC2	ZINC000008493064	856239262	/nfs/dbraw/zinc/23/92/62/856239262.db2.gz	WOFVGNWDFDLRBY-SSDVNMTOSA-N	-1	1	380.473	3.899	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)o1	ZINC000008996682	856695878	/nfs/dbraw/zinc/69/58/78/856695878.db2.gz	CLAVHHPRNNMEKZ-KRWDZBQOSA-N	-1	1	382.347	3.806	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(F)cc2)cc1	ZINC000000846416	209271738	/nfs/dbraw/zinc/27/17/38/209271738.db2.gz	DCXPDJCFDWGOSV-IBGZPJMESA-N	-1	1	397.402	3.577	50	30		GHEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)[N-]C1=S	ZINC000001178606	209169438	/nfs/dbraw/zinc/16/94/38/209169438.db2.gz	OIGGOLINSAQLFP-LICLKQGHSA-N	-1	1	399.903	3.560	50	30		GHEAMM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000007709681	221006464	/nfs/dbraw/zinc/00/64/64/221006464.db2.gz	SZAUCDGBALOOOO-UHFFFAOYSA-N	-1	1	377.487	3.927	50	30		GHEAMM
C=CCN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)[N-]C1=S	ZINC000017122433	518832564	/nfs/dbraw/zinc/83/25/64/518832564.db2.gz	NONVXVUKTCSOGG-GDNBJRDFSA-N	-1	1	397.412	3.816	50	30		GHEAMM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C)cc2)no1	ZINC000102803497	525047824	/nfs/dbraw/zinc/04/78/24/525047824.db2.gz	BPRAOZFDQKEWQJ-GROYHEBESA-N	-1	1	380.425	3.979	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)no1	ZINC000102803497	525047831	/nfs/dbraw/zinc/04/78/31/525047831.db2.gz	BPRAOZFDQKEWQJ-GROYHEBESA-N	-1	1	380.425	3.979	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(C)cc2)cc1	ZINC000019923061	526022671	/nfs/dbraw/zinc/02/26/71/526022671.db2.gz	SBTAFGRGXLBBRS-HXUWFJFHSA-N	-1	1	393.439	3.747	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)s1	ZINC000102803428	526354812	/nfs/dbraw/zinc/35/48/12/526354812.db2.gz	CBKVCNXZQCIFQE-GROYHEBESA-N	-1	1	391.452	3.781	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102643247	527584790	/nfs/dbraw/zinc/58/47/90/527584790.db2.gz	AQFVKQYKABSMIX-GHNGSUTGSA-N	-1	1	399.830	3.627	50	30		GHEAMM
N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1ncc(C(F)(F)F)cc1Cl	ZINC000049396440	570263340	/nfs/dbraw/zinc/26/33/40/570263340.db2.gz	DLRYGPDWKSRAFW-LLVKDONJSA-N	-1	1	382.729	3.734	50	30		GHEAMM
O=C(NC([N-]c1cccc(F)c1)(C(F)(F)F)C(F)(F)F)c1cccnc1	ZINC000003103510	570328598	/nfs/dbraw/zinc/32/85/98/570328598.db2.gz	CNLAUIYALSYTRN-UHFFFAOYSA-N	-1	1	381.251	3.884	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccccc1)c1ccc(Cl)cc1	ZINC000004820027	570408504	/nfs/dbraw/zinc/40/85/04/570408504.db2.gz	FAPLLIUMSCZXAJ-KRWDZBQOSA-N	-1	1	391.814	3.913	50	30		GHEAMM
CC[C@H](C)c1ccc(N=Cc2c(=O)[nH]c(=O)n(-c3ccc(OC)cc3)c2[O-])cc1	ZINC000101579201	570827194	/nfs/dbraw/zinc/82/71/94/570827194.db2.gz	VKVUWSGPILZGMY-WQEJZQBCSA-N	-1	1	393.443	3.504	50	30		GHEAMM
Cc1ccc(/C(CN2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)=N\[O-])cc1	ZINC000005745124	570919925	/nfs/dbraw/zinc/91/99/25/570919925.db2.gz	NOZXGYGSNGFYJO-VUSVCRIZSA-N	-1	1	379.504	3.515	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000001117424	209302661	/nfs/dbraw/zinc/30/26/61/209302661.db2.gz	SXKPHEKBJGALLS-HNNXBMFYSA-N	-1	1	385.464	3.974	50	30		GHEAMM
COc1cccc([C@@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)c1	ZINC000000937252	209280275	/nfs/dbraw/zinc/28/02/75/209280275.db2.gz	CBAYGLLQGXKTRW-INIZCTEOSA-N	-1	1	397.500	3.844	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000100342976	533201541	/nfs/dbraw/zinc/20/15/41/533201541.db2.gz	PQZBWMJOIRQIJZ-NHFXJNLRSA-N	-1	1	386.407	3.717	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005860917	570798196	/nfs/dbraw/zinc/79/81/96/570798196.db2.gz	KUXFIAMHVIWREK-HNNXBMFYSA-N	-1	1	396.516	3.866	50	30		GHEAMM
CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccc2)s1	ZINC000009088625	209811457	/nfs/dbraw/zinc/81/14/57/209811457.db2.gz	HMJBQBWHYQDVFW-CYBMUJFWSA-N	-1	1	399.453	3.636	50	30		GHEAMM
O=C(c1ccccc1)C1=C(Nc2ccccc2)c2ccccc2S(=O)(=O)[N-]1	ZINC000000716094	209261846	/nfs/dbraw/zinc/26/18/46/209261846.db2.gz	SKIUFFVGBXNDNP-UHFFFAOYSA-N	-1	1	376.437	3.642	50	30		GHEAMM
N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)ccc1F	ZINC000066813857	211003561	/nfs/dbraw/zinc/00/35/61/211003561.db2.gz	PVYQKZCMQCFTLM-UHFFFAOYSA-N	-1	1	389.191	3.503	50	30		GHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@@H]1c1ccccc1	ZINC000007738229	221009262	/nfs/dbraw/zinc/00/92/62/221009262.db2.gz	HZDKTEVZTULIGK-MRXNPFEDSA-N	-1	1	397.500	3.833	50	30		GHEAMM
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)[N-]C1=S	ZINC000012362903	518832036	/nfs/dbraw/zinc/83/20/36/518832036.db2.gz	ZZJAJDSOJNKVCE-PDGQHHTCSA-N	-1	1	393.512	3.524	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)no1	ZINC000102804199	525045626	/nfs/dbraw/zinc/04/56/26/525045626.db2.gz	DLRHZDXBEJWDBJ-SELCWUDQSA-N	-1	1	396.349	3.888	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102877197	525383252	/nfs/dbraw/zinc/38/32/52/525383252.db2.gz	UGVNWAYELMODSX-HVESIFNPSA-N	-1	1	392.436	3.778	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2	ZINC000006459053	570480664	/nfs/dbraw/zinc/48/06/64/570480664.db2.gz	ZESAMVXMAOGXJD-INIZCTEOSA-N	-1	1	395.484	3.621	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1ccccn1	ZINC000006786968	570493402	/nfs/dbraw/zinc/49/34/02/570493402.db2.gz	MGGIOTRMSFZSAE-GOSISDBHSA-N	-1	1	392.436	3.935	50	30		GHEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1	ZINC000005800639	570535465	/nfs/dbraw/zinc/53/54/65/570535465.db2.gz	DOBMPAXVYJDQNO-SFHVURJKSA-N	-1	1	389.386	3.707	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1	ZINC000005800639	570535467	/nfs/dbraw/zinc/53/54/67/570535467.db2.gz	DOBMPAXVYJDQNO-SFHVURJKSA-N	-1	1	389.386	3.707	50	30		GHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000006813948	570618097	/nfs/dbraw/zinc/61/80/97/570618097.db2.gz	MYAHNKUKRVMWRU-NHFXJNLRSA-N	-1	1	393.439	3.753	50	30		GHEAMM
CC(C)c1ccc([C@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000002328301	209357339	/nfs/dbraw/zinc/35/73/39/209357339.db2.gz	BXTSGFVFSCKPHM-INIZCTEOSA-N	-1	1	384.439	3.641	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)o1	ZINC000102970762	520851372	/nfs/dbraw/zinc/85/13/72/520851372.db2.gz	QFNSZRXIILIRGB-CHHLAKQQSA-N	-1	1	398.418	3.768	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)no1	ZINC000102804132	525046789	/nfs/dbraw/zinc/04/67/89/525046789.db2.gz	NZMJWTIECLRVGJ-WOOAAIBNSA-N	-1	1	390.395	3.623	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)c1	ZINC000102803513	525760612	/nfs/dbraw/zinc/76/06/12/525760612.db2.gz	KCUFOBWRPXXPER-WOOAAIBNSA-N	-1	1	390.395	3.618	50	30		GHEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000019904221	526021234	/nfs/dbraw/zinc/02/12/34/526021234.db2.gz	ULYIIOXDBHUBCX-GOSISDBHSA-N	-1	1	399.830	3.701	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000017993506	526032236	/nfs/dbraw/zinc/03/22/36/526032236.db2.gz	KVPQEMLNSYZLEA-QGZVFWFLSA-N	-1	1	391.452	3.938	50	30		GHEAMM
C=CCn1c([O-])c(C(=O)Nc2ccc(OCCC)cc2)c(=O)c2ccccc21	ZINC000002589665	570333271	/nfs/dbraw/zinc/33/32/71/570333271.db2.gz	TUQIOJHCBBHNSL-UHFFFAOYSA-N	-1	1	378.428	3.934	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1	ZINC000005819014	570458317	/nfs/dbraw/zinc/45/83/17/570458317.db2.gz	RLXOITMWCFZYLU-HNNXBMFYSA-N	-1	1	399.378	3.599	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)no1	ZINC000006412953	570479612	/nfs/dbraw/zinc/47/96/12/570479612.db2.gz	XAYCQWZKMLVTIA-INIZCTEOSA-N	-1	1	384.388	3.967	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)s1	ZINC000006813470	570617111	/nfs/dbraw/zinc/61/71/11/570617111.db2.gz	VMJGFBJGOVMCQS-AWEZNQCLSA-N	-1	1	383.454	3.691	50	30		GHEAMM
Cc1nnc(SC(=Cc2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])[nH]1	ZINC000001279697	570953075	/nfs/dbraw/zinc/95/30/75/570953075.db2.gz	RDGDXUNYFGIRMB-VCHYOVAHSA-N	-1	1	392.440	3.782	50	30		GHEAMM
Cc1nc(SC(=Cc2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])n[nH]1	ZINC000001279697	570953077	/nfs/dbraw/zinc/95/30/77/570953077.db2.gz	RDGDXUNYFGIRMB-VCHYOVAHSA-N	-1	1	392.440	3.782	50	30		GHEAMM
Cc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(C(=O)[O-])cc1	ZINC000057878137	862268252	/nfs/dbraw/zinc/26/82/52/862268252.db2.gz	YBCUDWHNEMDYRE-SFHVURJKSA-N	-1	1	379.412	3.818	50	30		GHEAMM
COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1COc1cccc([N+](=O)[O-])c1	ZINC000008511537	856245164	/nfs/dbraw/zinc/24/51/64/856245164.db2.gz	NVHKWFKKRBRQGY-VXLYETTFSA-N	-1	1	399.432	3.627	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)no1	ZINC000009243792	857004921	/nfs/dbraw/zinc/00/49/21/857004921.db2.gz	JBXUHOSIYZMGQC-INIZCTEOSA-N	-1	1	382.397	3.533	50	30		GHEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1c(Br)cncc1Br	ZINC000606444395	859837480	/nfs/dbraw/zinc/83/74/80/859837480.db2.gz	OCGNPMRFFQUFSB-YIXHJXPBSA-N	-1	1	397.022	3.928	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000102804286	524743471	/nfs/dbraw/zinc/74/34/71/524743471.db2.gz	XWRLFZXZWCGFOB-LFVOPCPISA-N	-1	1	390.395	3.618	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000102804581	524802870	/nfs/dbraw/zinc/80/28/70/524802870.db2.gz	PVTBBGZAVSFNIN-HVESIFNPSA-N	-1	1	396.424	3.679	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)no1	ZINC000102721792	525047650	/nfs/dbraw/zinc/04/76/50/525047650.db2.gz	BHFWAWWRABXHRV-HVESIFNPSA-N	-1	1	380.425	3.979	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)no1	ZINC000102803999	525047858	/nfs/dbraw/zinc/04/78/58/525047858.db2.gz	UBMMQXOQRRKZOQ-IBOXJLQUSA-N	-1	1	384.388	3.810	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)c1	ZINC000102803511	525757929	/nfs/dbraw/zinc/75/79/29/525757929.db2.gz	KCUFOBWRPXXPER-LFVOPCPISA-N	-1	1	390.395	3.618	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)s1	ZINC000102803432	526354046	/nfs/dbraw/zinc/35/40/46/526354046.db2.gz	CBKVCNXZQCIFQE-HVESIFNPSA-N	-1	1	391.452	3.781	50	30		GHEAMM
CCCCn1c([O-])c(C(=O)Nc2ncc([N+](=O)[O-])s2)c(=O)c2ccccc21	ZINC000006783384	570589994	/nfs/dbraw/zinc/58/99/94/570589994.db2.gz	UWVKBQLCMSSEGF-UHFFFAOYSA-N	-1	1	388.405	3.508	50	30		GHEAMM
C=CCc1ccccc1OCCSc1nc(-c2ccco2)nc2cc(=O)[n-]n21	ZINC000006915818	570703205	/nfs/dbraw/zinc/70/32/05/570703205.db2.gz	UMYUOPTYDBPBDK-UHFFFAOYSA-N	-1	1	394.456	3.577	50	30		GHEAMM
CN(C)c1ccc(C=Nn2cc([O-])c(-c3nc4ccccc4s3)c2N)cc1	ZINC000102730841	570859509	/nfs/dbraw/zinc/85/95/09/570859509.db2.gz	HSATXKQOPXFRGR-SRZJJHSQSA-N	-1	1	377.473	3.958	50	30		GHEAMM
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)[N-]C1=S	ZINC000019877897	518832155	/nfs/dbraw/zinc/83/21/55/518832155.db2.gz	OIGGOLINSAQLFP-YVLHZVERSA-N	-1	1	399.903	3.560	50	30		GHEAMM
C=CCc1c(C)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c1=O	ZINC000005118782	519122452	/nfs/dbraw/zinc/12/24/52/519122452.db2.gz	BGBLFJFEWJHUJT-UHFFFAOYSA-N	-1	1	384.288	3.844	50	30		GHEAMM
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102695467	521234407	/nfs/dbraw/zinc/23/44/07/521234407.db2.gz	HGQXUCPQZRRDPD-SELCWUDQSA-N	-1	1	394.383	3.601	50	30		GHEAMM
Cc1cc(Cl)c(S(=O)(=O)[N-]/N=C\c2ccc(N(C)C)cc2)c(Cl)c1	ZINC000033316824	524850394	/nfs/dbraw/zinc/85/03/94/524850394.db2.gz	HXILKFNMQLGQRE-GRSHGNNSSA-N	-1	1	386.304	3.680	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)no1	ZINC000102803802	525046261	/nfs/dbraw/zinc/04/62/61/525046261.db2.gz	NDTBIFOJIFYFCB-SELCWUDQSA-N	-1	1	378.359	3.748	50	30		GHEAMM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000033676483	526428026	/nfs/dbraw/zinc/42/80/26/526428026.db2.gz	ANUINNMGSLTZAG-STZFKDTASA-N	-1	1	394.372	3.966	50	30		GHEAMM
CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005858747	570459320	/nfs/dbraw/zinc/45/93/20/570459320.db2.gz	GPJNZXGAGSIFJN-INIZCTEOSA-N	-1	1	396.516	3.868	50	30		GHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000006813932	570618178	/nfs/dbraw/zinc/61/81/78/570618178.db2.gz	MYAHNKUKRVMWRU-YDJIHCHBSA-N	-1	1	393.439	3.753	50	30		GHEAMM
Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000033086498	570808525	/nfs/dbraw/zinc/80/85/25/570808525.db2.gz	ARAIXTYQNBWVMA-UHFFFAOYSA-N	-1	1	380.429	3.595	50	30		GHEAMM
O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1Cl)c1ccccc1	ZINC000102866311	570870040	/nfs/dbraw/zinc/87/00/40/570870040.db2.gz	BWOVTGZATXTPEM-GROYHEBESA-N	-1	1	391.814	3.756	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccccc1Cl)c1ccccc1	ZINC000102866311	570870043	/nfs/dbraw/zinc/87/00/43/570870043.db2.gz	BWOVTGZATXTPEM-GROYHEBESA-N	-1	1	391.814	3.756	50	30		GHEAMM
O=C1C(=O)C(c2cccc(I)c2)=C([O-])c2ccccc21	ZINC000005729649	570908898	/nfs/dbraw/zinc/90/88/98/570908898.db2.gz	VVUZVZGELWXNPM-UHFFFAOYSA-N	-1	1	376.149	3.640	50	30		GHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@H]1c1ccccc1	ZINC000004292295	209138680	/nfs/dbraw/zinc/13/86/80/209138680.db2.gz	IFUIVMIPOYOLQV-INIZCTEOSA-N	-1	1	395.484	3.609	50	30		GHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@H]1c1ccccc1	ZINC000007738228	221009211	/nfs/dbraw/zinc/00/92/11/221009211.db2.gz	HZDKTEVZTULIGK-INIZCTEOSA-N	-1	1	397.500	3.833	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCCCC)cc1)CC(=O)N2	ZINC000021784576	519081255	/nfs/dbraw/zinc/08/12/55/519081255.db2.gz	ZPPOLFLFRLNRQG-OAHLLOKOSA-N	-1	1	385.489	3.701	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nccs2)c1	ZINC000096336511	524111385	/nfs/dbraw/zinc/11/13/85/524111385.db2.gz	ISBNKGKQLWKJEP-OAHLLOKOSA-N	-1	1	382.397	3.528	50	30		GHEAMM
O=C(C=C([O-])C(=O)Nc1ccc(I)cc1)c1ccccc1	ZINC000101355153	527592859	/nfs/dbraw/zinc/59/28/59/527592859.db2.gz	YUFKJPNQIKSWNK-GDNBJRDFSA-N	-1	1	393.180	3.555	50	30		GHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000004334931	570369015	/nfs/dbraw/zinc/36/90/15/570369015.db2.gz	NIUONLSOPSMFIL-CYBMUJFWSA-N	-1	1	398.444	3.954	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000005800510	570457432	/nfs/dbraw/zinc/45/74/32/570457432.db2.gz	NASQGOYJLMVCPQ-LJQANCHMSA-N	-1	1	390.395	3.775	50	30		GHEAMM
COc1ccccc1[C@@H]1c2c(=O)[n-]c(SC)nc2NC2=C1C(=O)CC(C)(C)C2	ZINC000005864587	570459833	/nfs/dbraw/zinc/45/98/33/570459833.db2.gz	JKOKAELQVQPKOA-HNNXBMFYSA-N	-1	1	397.500	3.701	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005860913	570798084	/nfs/dbraw/zinc/79/80/84/570798084.db2.gz	IKVYQRNKBQWKEF-HNNXBMFYSA-N	-1	1	396.516	3.866	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005864485	570798818	/nfs/dbraw/zinc/79/88/18/570798818.db2.gz	WEEJEADAYPXFQV-OAHLLOKOSA-N	-1	1	394.500	3.644	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)s1)C1=C(CCCC1=O)N2	ZINC000005887159	570800425	/nfs/dbraw/zinc/80/04/25/570800425.db2.gz	JWDKBGSAKYAIQX-HNNXBMFYSA-N	-1	1	385.514	3.982	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2	ZINC000005923708	570804447	/nfs/dbraw/zinc/80/44/47/570804447.db2.gz	GTXFOYSTBCPRLO-MRXNPFEDSA-N	-1	1	397.500	3.845	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2	ZINC000005923955	570804603	/nfs/dbraw/zinc/80/46/03/570804603.db2.gz	GTXFOYSTBCPRLO-INIZCTEOSA-N	-1	1	397.500	3.845	50	30		GHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005931429	570805021	/nfs/dbraw/zinc/80/50/21/570805021.db2.gz	VCJHGHDMRXMNPP-NHYWBVRUSA-N	-1	1	382.489	3.620	50	30		GHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005931331	570805044	/nfs/dbraw/zinc/80/50/44/570805044.db2.gz	ZGOMWVPFIFNXRE-IAQYHMDHSA-N	-1	1	382.489	3.620	50	30		GHEAMM
CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C#N)cc1)[nH]c1c2C(=O)CCC1	ZINC000009685939	857305646	/nfs/dbraw/zinc/30/56/46/857305646.db2.gz	UIWXTORQFZKYNT-UHFFFAOYSA-N	-1	1	393.468	3.922	50	30		GHEAMM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2C1	ZINC000598801666	859678135	/nfs/dbraw/zinc/67/81/35/859678135.db2.gz	NFACPLYQOSMXCH-NSHDSACASA-N	-1	1	386.525	3.765	50	30		GHEAMM
CC(C)Oc1c(I)cc(Br)cc1/C=N/[O-]	ZINC000002762637	209382376	/nfs/dbraw/zinc/38/23/76/209382376.db2.gz	LBCHUJFQKJSFDJ-WLRTZDKTSA-N	-1	1	384.011	3.649	50	30		GHEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccccc3F)n2)n[n-]c1=S	ZINC000012900334	209164868	/nfs/dbraw/zinc/16/48/68/209164868.db2.gz	NOWXVDBBMQNJRS-UHFFFAOYSA-N	-1	1	375.454	3.565	50	30		GHEAMM
C=CCn1c(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)n[n-]c1=S	ZINC000012825671	209164772	/nfs/dbraw/zinc/16/47/72/209164772.db2.gz	MFZWXTNCMCHXOD-UHFFFAOYSA-N	-1	1	393.444	3.704	50	30		GHEAMM
N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)cc1	ZINC000058345380	210916147	/nfs/dbraw/zinc/91/61/47/210916147.db2.gz	BMAOCUHNSLISQZ-UHFFFAOYSA-N	-1	1	394.408	3.850	50	30		GHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000100821604	521785582	/nfs/dbraw/zinc/78/55/82/521785582.db2.gz	PXMHJZZKNSWIAP-OAHLLOKOSA-N	-1	1	397.500	3.788	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)no1	ZINC000013003359	525049451	/nfs/dbraw/zinc/04/94/51/525049451.db2.gz	VASJWERYFQUINM-IBGZPJMESA-N	-1	1	390.395	3.780	50	30		GHEAMM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000033958454	526428098	/nfs/dbraw/zinc/42/80/98/526428098.db2.gz	GAJIRMRBWZGLEW-STZFKDTASA-N	-1	1	394.372	3.966	50	30		GHEAMM
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1	ZINC000048354278	570241656	/nfs/dbraw/zinc/24/16/56/570241656.db2.gz	VYQFEMPNUCDKOM-UHFFFAOYSA-N	-1	1	379.869	3.757	50	30		GHEAMM
Cc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ncccn2)cc1	ZINC000006813230	570617031	/nfs/dbraw/zinc/61/70/31/570617031.db2.gz	WBRPGSSPGFOJPZ-INIZCTEOSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ncccn2)cc1	ZINC000006813230	570617033	/nfs/dbraw/zinc/61/70/33/570617033.db2.gz	WBRPGSSPGFOJPZ-INIZCTEOSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(C(=O)[O-])cc1	ZINC000057878133	862268852	/nfs/dbraw/zinc/26/88/52/862268852.db2.gz	YBCUDWHNEMDYRE-GOSISDBHSA-N	-1	1	379.412	3.818	50	30		GHEAMM
CC1C=C(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000252457518	884401767	/nfs/dbraw/zinc/40/17/67/884401767.db2.gz	OLWYORZOZLHCSU-UHFFFAOYSA-N	-1	1	386.433	3.904	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000013003398	210045308	/nfs/dbraw/zinc/04/53/08/210045308.db2.gz	BCJLMKQFRCGVOF-GOSISDBHSA-N	-1	1	394.383	3.676	50	30		GHEAMM
CCOC(=O)c1sc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C#N)c1C	ZINC000001964994	209343186	/nfs/dbraw/zinc/34/31/86/209343186.db2.gz	HGFLYRSYHCXKLR-UHFFFAOYSA-N	-1	1	393.808	3.919	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1	ZINC000000846417	209272422	/nfs/dbraw/zinc/27/24/22/209272422.db2.gz	DCXPDJCFDWGOSV-LJQANCHMSA-N	-1	1	397.402	3.577	50	30		GHEAMM
C=CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000001201205	209168146	/nfs/dbraw/zinc/16/81/46/209168146.db2.gz	SYJUXUWPOOWHCN-GXDHUFHOSA-N	-1	1	383.385	3.508	50	30		GHEAMM
CCOC(=O)c1sc([N-]C(=O)c2ccc(Br)o2)c(C#N)c1C	ZINC000001284926	209190938	/nfs/dbraw/zinc/19/09/38/209190938.db2.gz	CRVUXXQTXUYUIS-UHFFFAOYSA-N	-1	1	383.223	3.713	50	30		GHEAMM
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008739377	221054152	/nfs/dbraw/zinc/05/41/52/221054152.db2.gz	DJWNRLYXKNIOQP-GOSISDBHSA-N	-1	1	394.383	3.758	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCCCC)cc1)CC(=O)N2	ZINC000021784572	519081868	/nfs/dbraw/zinc/08/18/68/519081868.db2.gz	ZPPOLFLFRLNRQG-HNNXBMFYSA-N	-1	1	385.489	3.701	50	30		GHEAMM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCO3)cs1	ZINC000004175442	534542232	/nfs/dbraw/zinc/54/22/32/534542232.db2.gz	VFGNJKQLTXOBJZ-LPYMAVHISA-N	-1	1	393.384	3.787	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)no1	ZINC000102724216	525047715	/nfs/dbraw/zinc/04/77/15/525047715.db2.gz	KPGQXMOPNZXFKF-IBOXJLQUSA-N	-1	1	384.775	3.856	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000001451106	570226317	/nfs/dbraw/zinc/22/63/17/570226317.db2.gz	HNTGEFIVOJSMHJ-QGZVFWFLSA-N	-1	1	396.424	3.836	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2	ZINC000006355789	570477899	/nfs/dbraw/zinc/47/78/99/570477899.db2.gz	WAGBFJNWXCRKFH-INIZCTEOSA-N	-1	1	397.500	3.845	50	30		GHEAMM
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccco2)s1	ZINC000013690577	570863242	/nfs/dbraw/zinc/86/32/42/570863242.db2.gz	XKDFFXHUNXBKDA-ZDUSSCGKSA-N	-1	1	385.401	3.630	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)o1	ZINC000102970760	570872644	/nfs/dbraw/zinc/87/26/44/570872644.db2.gz	QFNSZRXIILIRGB-OTDUKCBNSA-N	-1	1	398.418	3.768	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102805956	524106430	/nfs/dbraw/zinc/10/64/30/524106430.db2.gz	DXTXQCNYPRGDHV-LFVOPCPISA-N	-1	1	390.395	3.618	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000102804402	524802128	/nfs/dbraw/zinc/80/21/28/524802128.db2.gz	AIWYMOQGYJUWOU-GHNGSUTGSA-N	-1	1	394.383	3.519	50	30		GHEAMM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C)cc2)no1	ZINC000102803498	525045387	/nfs/dbraw/zinc/04/53/87/525045387.db2.gz	BPRAOZFDQKEWQJ-HVESIFNPSA-N	-1	1	380.425	3.979	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)no1	ZINC000102803498	525045398	/nfs/dbraw/zinc/04/53/98/525045398.db2.gz	BPRAOZFDQKEWQJ-HVESIFNPSA-N	-1	1	380.425	3.979	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)no1	ZINC000102862461	525045693	/nfs/dbraw/zinc/04/56/93/525045693.db2.gz	VMLAGBCKJPVBSH-GROYHEBESA-N	-1	1	395.802	3.658	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102727905	525383408	/nfs/dbraw/zinc/38/34/08/525383408.db2.gz	XCSHFGATYGRNNT-HVESIFNPSA-N	-1	1	396.424	3.679	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000096336514	525391961	/nfs/dbraw/zinc/39/19/61/525391961.db2.gz	WPCDTLPIZMKNBV-HNNXBMFYSA-N	-1	1	382.397	3.528	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)s1	ZINC000102925272	526353795	/nfs/dbraw/zinc/35/37/95/526353795.db2.gz	MWFWIGZJGBIDEA-MRPLLJTBSA-N	-1	1	383.454	3.534	50	30		GHEAMM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccco2)sc1C	ZINC000102861691	526961650	/nfs/dbraw/zinc/96/16/50/526961650.db2.gz	RORWUNNAQKBHSI-IBOXJLQUSA-N	-1	1	380.425	3.979	50	30		GHEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005095477	570429187	/nfs/dbraw/zinc/42/91/87/570429187.db2.gz	DTEZKOCMQQTALD-CQSZACIVSA-N	-1	1	385.464	3.832	50	30		GHEAMM
COc1ccccc1[C@H]1c2c(=O)[n-]c(SC)nc2NC2=C1C(=O)CC(C)(C)C2	ZINC000005864475	570459731	/nfs/dbraw/zinc/45/97/31/570459731.db2.gz	JKOKAELQVQPKOA-OAHLLOKOSA-N	-1	1	397.500	3.701	50	30		GHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccccc1F	ZINC000008996274	570545917	/nfs/dbraw/zinc/54/59/17/570545917.db2.gz	YYDPPCFHBJUJMY-CYBMUJFWSA-N	-1	1	387.417	3.522	50	30		GHEAMM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCCCC1	ZINC000040454899	856825266	/nfs/dbraw/zinc/82/52/66/856825266.db2.gz	GMCQYSNYFCUMSF-UHFFFAOYSA-N	-1	1	398.528	3.992	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000102804288	524801901	/nfs/dbraw/zinc/80/19/01/524801901.db2.gz	XWRLFZXZWCGFOB-WOOAAIBNSA-N	-1	1	390.395	3.618	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1	ZINC000102803738	526353911	/nfs/dbraw/zinc/35/39/11/526353911.db2.gz	MPNFVUVLNTZNDT-IBOXJLQUSA-N	-1	1	395.415	3.612	50	30		GHEAMM
COc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1Br	ZINC000026251583	570423666	/nfs/dbraw/zinc/42/36/66/570423666.db2.gz	BEXUOZRZCRFQQP-UHFFFAOYSA-N	-1	1	393.163	3.815	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000005578611	570447384	/nfs/dbraw/zinc/44/73/84/570447384.db2.gz	JPEDRPITXUZAQU-QGZVFWFLSA-N	-1	1	392.436	3.935	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005864481	570799025	/nfs/dbraw/zinc/79/90/25/570799025.db2.gz	LMZHXDWNTQZCHE-OAHLLOKOSA-N	-1	1	394.500	3.644	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2	ZINC000005883997	570800946	/nfs/dbraw/zinc/80/09/46/570800946.db2.gz	VSDFCRCDNPMYNC-INIZCTEOSA-N	-1	1	392.484	3.708	50	30		GHEAMM
N#CC(=C([O-])c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2s1	ZINC000047365261	570954665	/nfs/dbraw/zinc/95/46/65/570954665.db2.gz	IGJZXFDZRYVVAF-MRXNPFEDSA-N	-1	1	375.453	3.909	50	30		GHEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OCc1ccccc1	ZINC000023762126	838289555	/nfs/dbraw/zinc/28/95/55/838289555.db2.gz	SCKDOMISYCQQDY-RCHCNPRSSA-N	-1	1	392.407	3.502	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1	ZINC000005596042	209605279	/nfs/dbraw/zinc/60/52/79/209605279.db2.gz	ZNAPYVNPKFEOAF-KRWDZBQOSA-N	-1	1	393.349	3.538	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2cncnc2)[C@@H]1c1ccccc1Cl)c1ccccc1	ZINC000005887775	212066425	/nfs/dbraw/zinc/06/64/25/212066425.db2.gz	QYPSNEVKMDANHR-GOSISDBHSA-N	-1	1	391.814	3.913	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N2	ZINC000009569617	519080685	/nfs/dbraw/zinc/08/06/85/519080685.db2.gz	UUHVCLJQTUFDBB-INIZCTEOSA-N	-1	1	397.500	3.751	50	30		GHEAMM
C=CCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2sc1=O	ZINC000046017784	519262932	/nfs/dbraw/zinc/26/29/32/519262932.db2.gz	SRDFDITWJGOFRA-UHFFFAOYSA-N	-1	1	386.498	3.539	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N2	ZINC000007990952	570217249	/nfs/dbraw/zinc/21/72/49/570217249.db2.gz	ONEOIOKIOQBQJU-CYBMUJFWSA-N	-1	1	389.502	3.504	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)no1	ZINC000006275833	570240043	/nfs/dbraw/zinc/24/00/43/570240043.db2.gz	JIQGGOAZNKBSOP-QGZVFWFLSA-N	-1	1	395.802	3.814	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005923731	570462137	/nfs/dbraw/zinc/46/21/37/570462137.db2.gz	XZDULZDJCUGEQR-OAHLLOKOSA-N	-1	1	396.516	3.868	50	30		GHEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(C)cc2)cc1	ZINC000006813211	570616978	/nfs/dbraw/zinc/61/69/78/570616978.db2.gz	HIUVTQPYGXESES-NHFXJNLRSA-N	-1	1	393.439	3.590	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)no1	ZINC000005800485	570693432	/nfs/dbraw/zinc/69/34/32/570693432.db2.gz	BDZMUOHYWLLJNC-QGZVFWFLSA-N	-1	1	395.802	3.814	50	30		GHEAMM
CC[C@@H](C)c1ccc(N=Cc2c(=O)[nH]c(=O)n(-c3ccc(OC)cc3)c2[O-])cc1	ZINC000101579193	570827232	/nfs/dbraw/zinc/82/72/32/570827232.db2.gz	VKVUWSGPILZGMY-JMKVTYIUSA-N	-1	1	393.443	3.504	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OCCCC)CC(=O)N2	ZINC000086057964	209234785	/nfs/dbraw/zinc/23/47/85/209234785.db2.gz	JFIDOSKVQPNEDU-CQSZACIVSA-N	-1	1	385.489	3.701	50	30		GHEAMM
COc1cc(C=Nn2cn[n-]c2=S)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000005483359	522002580	/nfs/dbraw/zinc/00/25/80/522002580.db2.gz	QGTQTLSJGLQIBE-AWQFTUOYSA-N	-1	1	388.836	3.704	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)no1	ZINC000102804202	525046827	/nfs/dbraw/zinc/04/68/27/525046827.db2.gz	DLRHZDXBEJWDBJ-GHNGSUTGSA-N	-1	1	396.349	3.888	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)c1	ZINC000017056635	525785017	/nfs/dbraw/zinc/78/50/17/525785017.db2.gz	PIOQRZWBVIACIV-FQEVSTJZSA-N	-1	1	386.407	3.873	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)s1	ZINC000006444696	570424141	/nfs/dbraw/zinc/42/41/41/570424141.db2.gz	AKPYBJDIMPFPKG-INIZCTEOSA-N	-1	1	395.415	3.769	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2	ZINC000006459062	570480655	/nfs/dbraw/zinc/48/06/55/570480655.db2.gz	ZESAMVXMAOGXJD-MRXNPFEDSA-N	-1	1	395.484	3.621	50	30		GHEAMM
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000008996917	570546076	/nfs/dbraw/zinc/54/60/76/570546076.db2.gz	JHWLZFCJKWRFNJ-AWEZNQCLSA-N	-1	1	383.454	3.691	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OC(F)(F)F)CC(=O)N2	ZINC000820497016	862010467	/nfs/dbraw/zinc/01/04/67/862010467.db2.gz	AFJOCFMWBAUPOK-SNVBAGLBSA-N	-1	1	397.378	3.833	50	30		GHEAMM
C=CCn1cc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1	ZINC000095995719	860738839	/nfs/dbraw/zinc/73/88/39/860738839.db2.gz	DURBELOHDFWVQU-UHFFFAOYSA-N	-1	1	396.310	3.511	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2cncnc2)[C@H]1c1ccccc1Cl)c1ccccc1	ZINC000005887567	212067462	/nfs/dbraw/zinc/06/74/62/212067462.db2.gz	QYPSNEVKMDANHR-SFHVURJKSA-N	-1	1	391.814	3.913	50	30		GHEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(F)cc3)n2)n[n-]c1=S	ZINC000012823856	209164934	/nfs/dbraw/zinc/16/49/34/209164934.db2.gz	SLSJKMHWMUPMMQ-UHFFFAOYSA-N	-1	1	375.454	3.565	50	30		GHEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(C)c(F)c3)n2)n[n-]c1=S	ZINC000024839530	519193670	/nfs/dbraw/zinc/19/36/70/519193670.db2.gz	KSLKIDSQTANPPM-UHFFFAOYSA-N	-1	1	389.481	3.874	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102803771	524169012	/nfs/dbraw/zinc/16/90/12/524169012.db2.gz	UCEAJSSFRGNJCV-GHNGSUTGSA-N	-1	1	394.383	3.519	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000017145529	527584444	/nfs/dbraw/zinc/58/44/44/527584444.db2.gz	GXBYQDIATZSRJE-GOSISDBHSA-N	-1	1	399.830	3.783	50	30		GHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000004334930	570368986	/nfs/dbraw/zinc/36/89/86/570368986.db2.gz	NIUONLSOPSMFIL-ZDUSSCGKSA-N	-1	1	398.444	3.954	50	30		GHEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Br)c(C)c2)cc1	ZINC000003258655	862287057	/nfs/dbraw/zinc/28/70/57/862287057.db2.gz	DKSJVIHNXQYZCH-UHFFFAOYSA-N	-1	1	383.267	3.781	50	30		GHEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(Br)c(C)c2)cc1	ZINC000003258655	862287070	/nfs/dbraw/zinc/28/70/70/862287070.db2.gz	DKSJVIHNXQYZCH-UHFFFAOYSA-N	-1	1	383.267	3.781	50	30		GHEAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NC1C[C@@H]2CC=C[C@H]12	ZINC000254705538	916893800	/nfs/dbraw/zinc/89/38/00/916893800.db2.gz	KLANTZAZLUKKIA-BBRMVZONSA-N	-1	1	398.444	3.760	50	30		GHEAMM
N#CC(=C([O-])c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2s1	ZINC000047365260	230933022	/nfs/dbraw/zinc/93/30/22/230933022.db2.gz	IGJZXFDZRYVVAF-INIZCTEOSA-N	-1	1	375.453	3.909	50	30		GHEAMM
N#Cc1ccc2[n-]cc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c(=O)c2c1	ZINC000015829354	210173489	/nfs/dbraw/zinc/17/34/89/210173489.db2.gz	IXEQXQYNYFKQFR-UHFFFAOYSA-N	-1	1	379.224	3.952	50	30		GHEAMM
COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(OC)cc2)c1/C=N/[O-]	ZINC000013144964	210052819	/nfs/dbraw/zinc/05/28/19/210052819.db2.gz	SQYBJOUCZYSCCG-UDWIEESQSA-N	-1	1	383.429	3.627	50	30		GHEAMM
C=CCn1c([O-])c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21	ZINC000001295665	209168572	/nfs/dbraw/zinc/16/85/72/209168572.db2.gz	XLYPAZZEOGQUFX-UHFFFAOYSA-N	-1	1	399.244	3.908	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)no1	ZINC000102733393	525047896	/nfs/dbraw/zinc/04/78/96/525047896.db2.gz	UVINXAOLCKKYDN-UYTDBDHRSA-N	-1	1	384.388	3.810	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(Cl)c1)c1ccccc1	ZINC000017180727	526270352	/nfs/dbraw/zinc/27/03/52/526270352.db2.gz	ANGTVFFXXRMBBR-KRWDZBQOSA-N	-1	1	391.814	3.913	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005864599	570799014	/nfs/dbraw/zinc/79/90/14/570799014.db2.gz	WEEJEADAYPXFQV-HNNXBMFYSA-N	-1	1	394.500	3.644	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccccc1Cl)c1ccccc1	ZINC000018210321	570810368	/nfs/dbraw/zinc/81/03/68/570810368.db2.gz	VOMMFMLTQUMMTK-QGZVFWFLSA-N	-1	1	391.814	3.913	50	30		GHEAMM
Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000104185343	570897020	/nfs/dbraw/zinc/89/70/20/570897020.db2.gz	IJKUSTKOEXVHOS-IBOXJLQUSA-N	-1	1	395.415	3.612	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2	ZINC000111971116	888467614	/nfs/dbraw/zinc/46/76/14/888467614.db2.gz	MSFKIAMSWGMJFA-SNVBAGLBSA-N	-1	1	382.272	3.829	50	30		GHEAMM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000078902588	211149053	/nfs/dbraw/zinc/14/90/53/211149053.db2.gz	VALRIQMLFSHWJE-UHFFFAOYSA-N	-1	1	379.869	3.843	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000019808878	210297544	/nfs/dbraw/zinc/29/75/44/210297544.db2.gz	IYINTHRHBPKBFF-SFHVURJKSA-N	-1	1	399.830	3.783	50	30		GHEAMM
C=CCOc1ccc(/C=N\[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000032573578	519017092	/nfs/dbraw/zinc/01/70/92/519017092.db2.gz	BUPPVFISBTYARZ-ODLFYWEKSA-N	-1	1	385.272	3.871	50	30		GHEAMM
Cc1ccccc1[C@@H]1C(C(=O)C2CC2)=C(O)C(=O)N1c1cccc(C(=O)[O-])c1	ZINC000013275933	525378357	/nfs/dbraw/zinc/37/83/57/525378357.db2.gz	KVWBFIXMKVKEMR-GOSISDBHSA-N	-1	1	377.396	3.572	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)c1	ZINC000102804533	525760834	/nfs/dbraw/zinc/76/08/34/525760834.db2.gz	LFTKMTBXPRVOMS-NHFXJNLRSA-N	-1	1	386.407	3.717	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000017145528	527584946	/nfs/dbraw/zinc/58/49/46/527584946.db2.gz	GXBYQDIATZSRJE-SFHVURJKSA-N	-1	1	399.830	3.783	50	30		GHEAMM
C=CCN(CC=C)C(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1	ZINC000013681863	570242320	/nfs/dbraw/zinc/24/23/20/570242320.db2.gz	AQDGHIMDONRHIB-UHFFFAOYSA-N	-1	1	391.423	3.745	50	30	biogenic	GHEAMM
C=CCN(CC=C)C(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000013681863	570242323	/nfs/dbraw/zinc/24/23/23/570242323.db2.gz	AQDGHIMDONRHIB-UHFFFAOYSA-N	-1	1	391.423	3.745	50	30	biogenic	GHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)s1	ZINC000005818717	570458299	/nfs/dbraw/zinc/45/82/99/570458299.db2.gz	NDORBBLSAHHVSA-MRXNPFEDSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)s1	ZINC000005818717	570458303	/nfs/dbraw/zinc/45/83/03/570458303.db2.gz	NDORBBLSAHHVSA-MRXNPFEDSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000104180537	570896864	/nfs/dbraw/zinc/89/68/64/570896864.db2.gz	HWNHHEUORQSWDR-MRPLLJTBSA-N	-1	1	383.454	3.534	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2ccc(C)cc2)cc1	ZINC000104248970	570899077	/nfs/dbraw/zinc/89/90/77/570899077.db2.gz	AKEXBZLHASRRLX-HVESIFNPSA-N	-1	1	391.452	3.781	50	30		GHEAMM
O=C([O-])C(CC(=O)c1ccc([N+](=O)[O-])cc1)=Nc1cccc(C(F)(F)F)c1	ZINC000004812759	570999021	/nfs/dbraw/zinc/99/90/21/570999021.db2.gz	PCKDJGLKHVBJTN-ZROIWOOFSA-N	-1	1	380.278	3.877	50	30		GHEAMM
O=c1oc2ccccc2c([O-])c1C=Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1	ZINC000828327428	907700535	/nfs/dbraw/zinc/70/05/35/907700535.db2.gz	SICOHDVEBSUDAR-GPZRYRNASA-N	-1	1	375.384	3.512	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)s1	ZINC000001103585	212216616	/nfs/dbraw/zinc/21/66/16/212216616.db2.gz	BSNVQIHCAHPFQX-HNNXBMFYSA-N	-1	1	397.481	3.999	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102803773	524104836	/nfs/dbraw/zinc/10/48/36/524104836.db2.gz	UCEAJSSFRGNJCV-SELCWUDQSA-N	-1	1	394.383	3.519	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1	ZINC000017920463	526270325	/nfs/dbraw/zinc/27/03/25/526270325.db2.gz	GCEMHKKBNKSHAF-GOSISDBHSA-N	-1	1	391.814	3.913	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1	ZINC000006412938	570405441	/nfs/dbraw/zinc/40/54/41/570405441.db2.gz	UOIGFWJJOWWEIF-IBGZPJMESA-N	-1	1	390.395	3.775	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000005800545	570693650	/nfs/dbraw/zinc/69/36/50/570693650.db2.gz	YJSASKFIJNBYRF-IBGZPJMESA-N	-1	1	390.395	3.775	50	30		GHEAMM
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000104180532	570896954	/nfs/dbraw/zinc/89/69/54/570896954.db2.gz	HWNHHEUORQSWDR-SXWSKBOKSA-N	-1	1	383.454	3.534	50	30		GHEAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)nc1	ZINC000032915854	570927000	/nfs/dbraw/zinc/92/70/00/570927000.db2.gz	IQKVKBJWMKNRPO-UHFFFAOYSA-N	-1	1	383.404	3.994	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)no1	ZINC000008556484	856260640	/nfs/dbraw/zinc/26/06/40/856260640.db2.gz	KSMZXWXFGSKSHX-INIZCTEOSA-N	-1	1	384.388	3.967	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)c(=O)o1	ZINC000102598451	895194425	/nfs/dbraw/zinc/19/44/25/895194425.db2.gz	PPGYJHHYLHEGLT-KZSQQDEKSA-N	-1	1	379.195	3.540	50	30		GHEAMM
O=C1[N-]C(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(C(F)(F)F)=CN12	ZINC000098005279	231003793	/nfs/dbraw/zinc/00/37/93/231003793.db2.gz	HWXZEWNSDGRDOD-UHFFFAOYSA-N	-1	1	387.589	3.814	50	30		GHEAMM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nncs2)cc1	ZINC000005818326	220900900	/nfs/dbraw/zinc/90/09/00/220900900.db2.gz	JOWHSPFMOAYWFP-INIZCTEOSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000005818326	220900904	/nfs/dbraw/zinc/90/09/04/220900904.db2.gz	JOWHSPFMOAYWFP-INIZCTEOSA-N	-1	1	377.425	3.629	50	30		GHEAMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C#N)cc1)[nH]c1c2C(=O)CCC1	ZINC000009685678	221089249	/nfs/dbraw/zinc/08/92/49/221089249.db2.gz	FKFZUWQVFSNGPA-UHFFFAOYSA-N	-1	1	379.441	3.668	50	30		GHEAMM
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)ccc21	ZINC000065021057	222094550	/nfs/dbraw/zinc/09/45/50/222094550.db2.gz	FHBGJJDYPQIBTJ-UHFFFAOYSA-N	-1	1	397.500	3.639	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102716362	524109953	/nfs/dbraw/zinc/10/99/53/524109953.db2.gz	YKVXVLOGAGTHOD-GROYHEBESA-N	-1	1	396.424	3.679	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000096336513	525224026	/nfs/dbraw/zinc/22/40/26/525224026.db2.gz	WPCDTLPIZMKNBV-OAHLLOKOSA-N	-1	1	382.397	3.528	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000102643249	527584927	/nfs/dbraw/zinc/58/49/27/527584927.db2.gz	AQFVKQYKABSMIX-SELCWUDQSA-N	-1	1	399.830	3.627	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1	ZINC000004820026	570408565	/nfs/dbraw/zinc/40/85/65/570408565.db2.gz	FAPLLIUMSCZXAJ-QGZVFWFLSA-N	-1	1	391.814	3.913	50	30		GHEAMM
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1	ZINC000032788709	570810479	/nfs/dbraw/zinc/81/04/79/570810479.db2.gz	RGFFHCJBGPFEEG-NRFANRHFSA-N	-1	1	389.430	3.707	50	30		GHEAMM
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccncc2)c1	ZINC000016736691	230897265	/nfs/dbraw/zinc/89/72/65/230897265.db2.gz	BWKPUNPFUUCVKR-QGZVFWFLSA-N	-1	1	391.452	3.938	50	30		GHEAMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1C#N	ZINC000001205608	212228855	/nfs/dbraw/zinc/22/88/55/212228855.db2.gz	IEDOJNCYQKUGRN-MFOYZWKCSA-N	-1	1	382.466	3.635	50	30		GHEAMM
C=CCSc1nnc([N-]C(=O)c2nc(SCC=C)ncc2Cl)s1	ZINC000006748095	212082770	/nfs/dbraw/zinc/08/27/70/212082770.db2.gz	CFWOACKXEBUXJZ-UHFFFAOYSA-N	-1	1	385.927	3.790	50	30		GHEAMM
C=C(C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000009367510	518598295	/nfs/dbraw/zinc/59/82/95/518598295.db2.gz	CMZZGPRHMZXOEA-UHFFFAOYSA-N	-1	1	376.453	3.665	50	30		GHEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005095476	570428885	/nfs/dbraw/zinc/42/88/85/570428885.db2.gz	DTEZKOCMQQTALD-AWEZNQCLSA-N	-1	1	385.464	3.832	50	30		GHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1	ZINC000005800497	570693574	/nfs/dbraw/zinc/69/35/74/570693574.db2.gz	XKEXMFBTIDBTKE-QGZVFWFLSA-N	-1	1	396.424	3.836	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1	ZINC000005800497	570693576	/nfs/dbraw/zinc/69/35/76/570693576.db2.gz	XKEXMFBTIDBTKE-QGZVFWFLSA-N	-1	1	396.424	3.836	50	30		GHEAMM
CCOc1ccccc1OCc1cc(C=Nn2cn[n-]c2=S)ccc1OC	ZINC000008479179	856233124	/nfs/dbraw/zinc/23/31/24/856233124.db2.gz	AXJPTBFRQGJDMG-SRZZPIQSSA-N	-1	1	384.461	3.809	50	30		GHEAMM
N#Cc1cccc(COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000019021955	221395682	/nfs/dbraw/zinc/39/56/82/221395682.db2.gz	IZSAZAMHPRLYNU-UHFFFAOYSA-N	-1	1	392.436	3.716	50	30		GHEAMM
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102805960	524169598	/nfs/dbraw/zinc/16/95/98/524169598.db2.gz	DXTXQCNYPRGDHV-WOOAAIBNSA-N	-1	1	390.395	3.618	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102803414	525214537	/nfs/dbraw/zinc/21/45/37/525214537.db2.gz	GQRDYXVZAWFLSX-SELCWUDQSA-N	-1	1	394.383	3.519	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000013003380	525387257	/nfs/dbraw/zinc/38/72/57/525387257.db2.gz	ZAZKSVPGZDKBSD-SFHVURJKSA-N	-1	1	394.383	3.676	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)s1	ZINC000102803740	526355271	/nfs/dbraw/zinc/35/52/71/526355271.db2.gz	MPNFVUVLNTZNDT-UYTDBDHRSA-N	-1	1	395.415	3.612	50	30		GHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000020064957	527579417	/nfs/dbraw/zinc/57/94/17/527579417.db2.gz	QDBQPUAYWGLFIS-HXUWFJFHSA-N	-1	1	393.439	3.910	50	30		GHEAMM
Clc1ccc(Cn2cc(CN=Nc3nn[n-]n3)c3ccccc32)cc1Cl	ZINC000022078994	570537762	/nfs/dbraw/zinc/53/77/62/570537762.db2.gz	JHDMLOQTNRKCFR-DNTJNYDQSA-N	-1	1	386.246	3.956	50	30		GHEAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005868797	570799238	/nfs/dbraw/zinc/79/92/38/570799238.db2.gz	KUMPHRVKEMJHFJ-OAHLLOKOSA-N	-1	1	382.489	3.622	50	30		GHEAMM
C=CCn1c(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)n[n-]c1=S	ZINC000006262120	212081438	/nfs/dbraw/zinc/08/14/38/212081438.db2.gz	YMXMUDUAFNUULI-UHFFFAOYSA-N	-1	1	391.547	3.596	50	30		GHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@@H]1c1ccccc1	ZINC000004292296	212077730	/nfs/dbraw/zinc/07/77/30/212077730.db2.gz	IFUIVMIPOYOLQV-MRXNPFEDSA-N	-1	1	395.484	3.609	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nccs2)c1	ZINC000096336507	524111189	/nfs/dbraw/zinc/11/11/89/524111189.db2.gz	SBOPMOHOEBERNN-OAHLLOKOSA-N	-1	1	398.465	3.996	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)o1	ZINC000102535554	525946151	/nfs/dbraw/zinc/94/61/51/525946151.db2.gz	LFURUGFXUXAXQS-HVESIFNPSA-N	-1	1	382.347	3.650	50	30		GHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005931410	570804850	/nfs/dbraw/zinc/80/48/50/570804850.db2.gz	VCJHGHDMRXMNPP-XHDPSFHLSA-N	-1	1	382.489	3.620	50	30		GHEAMM
Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000033086499	570808478	/nfs/dbraw/zinc/80/84/78/570808478.db2.gz	PLIBXIIQCLJHIT-UHFFFAOYSA-N	-1	1	380.429	3.595	50	30		GHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccc1OC	ZINC000001276364	212100780	/nfs/dbraw/zinc/10/07/80/212100780.db2.gz	HDLQKEKTQTTWGA-UHFFFAOYSA-N	-1	1	397.456	3.526	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000100342987	533138817	/nfs/dbraw/zinc/13/88/17/533138817.db2.gz	PQZBWMJOIRQIJZ-YDJIHCHBSA-N	-1	1	386.407	3.717	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000008740963	221054248	/nfs/dbraw/zinc/05/42/48/221054248.db2.gz	IEXPPDQZYJHXTM-QGZVFWFLSA-N	-1	1	396.424	3.836	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccs2)no1	ZINC000102721794	525047932	/nfs/dbraw/zinc/04/79/32/525047932.db2.gz	BHFWAWWRABXHRV-GROYHEBESA-N	-1	1	380.425	3.979	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102727900	525216350	/nfs/dbraw/zinc/21/63/50/525216350.db2.gz	XCSHFGATYGRNNT-GROYHEBESA-N	-1	1	396.424	3.679	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc(Cl)c1)c1ccccc1	ZINC000102498151	526956415	/nfs/dbraw/zinc/95/64/15/526956415.db2.gz	ZKNXCFAOEQFUFO-GROYHEBESA-N	-1	1	391.814	3.756	50	30		GHEAMM
COc1cccc([C@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000005864463	570459576	/nfs/dbraw/zinc/45/95/76/570459576.db2.gz	FBDZXOVOGZIYHZ-OAHLLOKOSA-N	-1	1	397.500	3.701	50	30		GHEAMM
N#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1	ZINC000006800779	570603196	/nfs/dbraw/zinc/60/31/96/570603196.db2.gz	WWGJEUFLUKEFBL-UHFFFAOYSA-N	-1	1	395.415	3.750	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2)s1	ZINC000006813468	570616959	/nfs/dbraw/zinc/61/69/59/570616959.db2.gz	VMJGFBJGOVMCQS-CQSZACIVSA-N	-1	1	383.454	3.691	50	30		GHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000004427267	570756537	/nfs/dbraw/zinc/75/65/37/570756537.db2.gz	OFNGAAZNALFDGZ-SELCWUDQSA-N	-1	1	399.830	3.627	50	30		GHEAMM
C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[N-]C1=S	ZINC000001203181	212101075	/nfs/dbraw/zinc/10/10/75/212101075.db2.gz	AZEKNKLBSDLZJZ-XNTDXEJSSA-N	-1	1	397.412	3.816	50	30		GHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccc(OC)cc1	ZINC000001275365	212101106	/nfs/dbraw/zinc/10/11/06/212101106.db2.gz	KKUJUVOEUPSRQJ-UHFFFAOYSA-N	-1	1	397.456	3.526	50	30		GHEAMM
COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1COc1ccc(F)cc1F	ZINC000002791880	523456615	/nfs/dbraw/zinc/45/66/15/523456615.db2.gz	HCQXMEUEZXCZIU-ZVBGSRNCSA-N	-1	1	390.415	3.997	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)no1	ZINC000102798880	525048007	/nfs/dbraw/zinc/04/80/07/525048007.db2.gz	CCGBKSFMENZCHR-IBOXJLQUSA-N	-1	1	384.388	3.810	50	30		GHEAMM
N#C[C@H](C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccccn1	ZINC000032682217	526508722	/nfs/dbraw/zinc/50/87/22/526508722.db2.gz	ZZQKPWHANLYCJD-SFHVURJKSA-N	-1	1	395.415	3.512	50	30		GHEAMM
Nc1c(-c2nc(-c3ccccc3)cs2)c([O-])cn1N=Cc1ccc(O)c(O)c1	ZINC000102719631	526838505	/nfs/dbraw/zinc/83/85/05/526838505.db2.gz	JRLUXEYEFADCQX-GYDKFZLSSA-N	-1	1	392.440	3.817	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000102930414	526956794	/nfs/dbraw/zinc/95/67/94/526956794.db2.gz	ZPHUDLBFHYEPSW-HVESIFNPSA-N	-1	1	391.814	3.756	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000102924811	526957330	/nfs/dbraw/zinc/95/73/30/526957330.db2.gz	YZCGKNQJDQLDPI-IBOXJLQUSA-N	-1	1	380.400	3.909	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000005800557	570457460	/nfs/dbraw/zinc/45/74/60/570457460.db2.gz	NASQGOYJLMVCPQ-IBGZPJMESA-N	-1	1	390.395	3.775	50	30		GHEAMM
Cc1nnc(SC(=Cc2ccccc2OCc2ccccc2C#N)C(=O)[O-])[nH]1	ZINC000005348232	570562357	/nfs/dbraw/zinc/56/23/57/570562357.db2.gz	XMPFXOHXZFDPAT-ZDLGFXPLSA-N	-1	1	392.440	3.782	50	30		GHEAMM
Cc1nc(SC(=Cc2ccccc2OCc2ccccc2C#N)C(=O)[O-])n[nH]1	ZINC000005348232	570562360	/nfs/dbraw/zinc/56/23/60/570562360.db2.gz	XMPFXOHXZFDPAT-ZDLGFXPLSA-N	-1	1	392.440	3.782	50	30		GHEAMM
Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)on1	ZINC000023128091	570913545	/nfs/dbraw/zinc/91/35/45/570913545.db2.gz	ZGRSQPLMNLKDPO-UHFFFAOYSA-N	-1	1	378.457	3.727	50	30		GHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000006420663	885054172	/nfs/dbraw/zinc/05/41/72/885054172.db2.gz	YJSASKFIJNBYRF-LJQANCHMSA-N	-1	1	390.395	3.775	50	30		GHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1ccc2c(c1)OCO2	ZINC000001035437	212208345	/nfs/dbraw/zinc/20/83/45/212208345.db2.gz	STUQZPZJWJHGNX-AWEZNQCLSA-N	-1	1	397.456	3.774	50	30		GHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccc(C)cc1	ZINC000001260717	212101335	/nfs/dbraw/zinc/10/13/35/212101335.db2.gz	XQMYTQQHXORADL-UHFFFAOYSA-N	-1	1	381.457	3.826	50	30		GHEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005864445	220903766	/nfs/dbraw/zinc/90/37/66/220903766.db2.gz	AZXHSQACRUSXBK-CQSZACIVSA-N	-1	1	385.464	3.832	50	30		GHEAMM
COc1ccccc1C(=O)C=C([O-])C(=O)Nc1cccc(NC(=O)C(C)C)c1	ZINC000101355250	524329372	/nfs/dbraw/zinc/32/93/72/524329372.db2.gz	NMMFTCCFFUDHHJ-PDGQHHTCSA-N	-1	1	382.416	3.553	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)o1	ZINC000102726438	525047412	/nfs/dbraw/zinc/04/74/12/525047412.db2.gz	PGJXERQWXDWQNP-GHNGSUTGSA-N	-1	1	378.384	3.819	50	30		GHEAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000005868861	570274434	/nfs/dbraw/zinc/27/44/34/570274434.db2.gz	KUMPHRVKEMJHFJ-HNNXBMFYSA-N	-1	1	382.489	3.622	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccnc1)c1ccc(Cl)cc1	ZINC000005409317	570438502	/nfs/dbraw/zinc/43/85/02/570438502.db2.gz	GCEMHKKBNKSHAF-SFHVURJKSA-N	-1	1	391.814	3.913	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)o1	ZINC000006813274	570494993	/nfs/dbraw/zinc/49/49/93/570494993.db2.gz	GUFLMJGEEYIRGP-INIZCTEOSA-N	-1	1	395.802	3.814	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005860772	570798230	/nfs/dbraw/zinc/79/82/30/570798230.db2.gz	IKVYQRNKBQWKEF-OAHLLOKOSA-N	-1	1	396.516	3.866	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Oc3ccccc3F)c(F)c2)c(=O)o1	ZINC000103908773	904516309	/nfs/dbraw/zinc/51/63/09/904516309.db2.gz	BGUZVLXDHJYGEL-CPSHHHPTSA-N	-1	1	384.334	3.985	50	30		GHEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1c(Br)cncc1Br	ZINC000253427824	915997597	/nfs/dbraw/zinc/99/75/97/915997597.db2.gz	OCGNPMRFFQUFSB-PQMHYQBVSA-N	-1	1	397.022	3.928	50	30		GHEAMM
COc1ccc([O-])c(C(=O)/C=C/c2cc(Br)cc3c2OCOC3)c1	ZINC000004338135	212146724	/nfs/dbraw/zinc/14/67/24/212146724.db2.gz	MCIIFLNXHYXGJV-DUXPYHPUSA-N	-1	1	391.217	3.926	50	30	biogenic	GHEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cccc(OC)c1	ZINC000001287873	212101652	/nfs/dbraw/zinc/10/16/52/212101652.db2.gz	SLHDNIDGJASXKC-UHFFFAOYSA-N	-1	1	397.456	3.526	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000013124235	221261952	/nfs/dbraw/zinc/26/19/52/221261952.db2.gz	PUHUJTMHZPJZIM-FQEVSTJZSA-N	-1	1	386.407	3.873	50	30		GHEAMM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1	ZINC000007709670	519080292	/nfs/dbraw/zinc/08/02/92/519080292.db2.gz	DSLKQFRHYVDTRT-UHFFFAOYSA-N	-1	1	392.502	3.733	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1	ZINC000102878947	523378983	/nfs/dbraw/zinc/37/89/83/523378983.db2.gz	PBXFQXYMXHPNJG-WOOAAIBNSA-N	-1	1	390.395	3.618	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)no1	ZINC000102798424	525046987	/nfs/dbraw/zinc/04/69/87/525046987.db2.gz	MIIDUAIAIFTZKH-SELCWUDQSA-N	-1	1	396.349	3.888	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)o1	ZINC000102535562	525944780	/nfs/dbraw/zinc/94/47/80/525944780.db2.gz	LFURUGFXUXAXQS-GROYHEBESA-N	-1	1	382.347	3.650	50	30		GHEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccc(Cl)cc2)cc1	ZINC000019904223	526021152	/nfs/dbraw/zinc/02/11/52/526021152.db2.gz	ULYIIOXDBHUBCX-SFHVURJKSA-N	-1	1	399.830	3.701	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)s1	ZINC000102801330	526353581	/nfs/dbraw/zinc/35/35/81/526353581.db2.gz	MVXREOWYHZVVPE-UYTDBDHRSA-N	-1	1	395.415	3.612	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000102924808	526957430	/nfs/dbraw/zinc/95/74/30/526957430.db2.gz	YZCGKNQJDQLDPI-UYTDBDHRSA-N	-1	1	380.400	3.909	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)s1	ZINC000006161072	570279341	/nfs/dbraw/zinc/27/93/41/570279341.db2.gz	FWOMNUDWVLYYOY-INIZCTEOSA-N	-1	1	395.415	3.769	50	30		GHEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccs1)c1ccc(F)cc1	ZINC000006445953	570424172	/nfs/dbraw/zinc/42/41/72/570424172.db2.gz	GABQEZRVLDYCJG-ZDUSSCGKSA-N	-1	1	387.417	3.522	50	30		GHEAMM
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccco2)s1	ZINC000013690578	570669208	/nfs/dbraw/zinc/66/92/08/570669208.db2.gz	XKDFFXHUNXBKDA-CYBMUJFWSA-N	-1	1	385.401	3.630	50	30		GHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000005800507	570693453	/nfs/dbraw/zinc/69/34/53/570693453.db2.gz	DTUAIIPCDIPXOQ-LJQANCHMSA-N	-1	1	390.395	3.775	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)no1	ZINC000005800514	570693505	/nfs/dbraw/zinc/69/35/05/570693505.db2.gz	BDZMUOHYWLLJNC-KRWDZBQOSA-N	-1	1	395.802	3.814	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)c1	ZINC000005800500	570693717	/nfs/dbraw/zinc/69/37/17/570693717.db2.gz	HOBWIUAGGXDUHQ-LJQANCHMSA-N	-1	1	390.395	3.775	50	30		GHEAMM
CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005860783	570798044	/nfs/dbraw/zinc/79/80/44/570798044.db2.gz	KUXFIAMHVIWREK-OAHLLOKOSA-N	-1	1	396.516	3.866	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2	ZINC000005923909	570804463	/nfs/dbraw/zinc/80/44/63/570804463.db2.gz	BSUHBANPVPNETD-INIZCTEOSA-N	-1	1	397.500	3.845	50	30		GHEAMM
Cc1c(/N=C/c2ccc([O-])c(Br)c2)c(=O)n(-c2ccccc2)n1C	ZINC000001496593	212247540	/nfs/dbraw/zinc/24/75/40/212247540.db2.gz	JURGFORCFZTGLG-RGVLZGJSSA-N	-1	1	386.249	3.703	50	30		GHEAMM
COc1ccc([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000958607	212200497	/nfs/dbraw/zinc/20/04/97/212200497.db2.gz	FAYRYOFLEZZUEF-HNNXBMFYSA-N	-1	1	397.500	3.701	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)no1	ZINC000009243791	221076177	/nfs/dbraw/zinc/07/61/77/221076177.db2.gz	JBXUHOSIYZMGQC-MRXNPFEDSA-N	-1	1	382.397	3.533	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)o1	ZINC000018203628	221390133	/nfs/dbraw/zinc/39/01/33/221390133.db2.gz	LVBNLLFDZGVVEZ-INIZCTEOSA-N	-1	1	395.802	3.814	50	30		GHEAMM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000102804404	524744751	/nfs/dbraw/zinc/74/47/51/524744751.db2.gz	AIWYMOQGYJUWOU-SELCWUDQSA-N	-1	1	394.383	3.519	50	30		GHEAMM
N#CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000004809122	570406727	/nfs/dbraw/zinc/40/67/27/570406727.db2.gz	FESHQOAFODVCMW-UHFFFAOYSA-N	-1	1	391.452	3.806	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)no1	ZINC000005800543	570693556	/nfs/dbraw/zinc/69/35/56/570693556.db2.gz	KRFDEAXWCHZGTH-SFHVURJKSA-N	-1	1	378.359	3.905	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2	ZINC000005883973	570800858	/nfs/dbraw/zinc/80/08/58/570800858.db2.gz	VSDFCRCDNPMYNC-MRXNPFEDSA-N	-1	1	392.484	3.708	50	30		GHEAMM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2C1	ZINC000004719203	570859172	/nfs/dbraw/zinc/85/91/72/570859172.db2.gz	DUSBHRSOVDMWOQ-SECBINFHSA-N	-1	1	386.389	3.813	50	30		GHEAMM
Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)c(=O)o1	ZINC000255845892	835946002	/nfs/dbraw/zinc/94/60/02/835946002.db2.gz	PPGYJHHYLHEGLT-YPQKKHBXSA-N	-1	1	379.195	3.540	50	30		GHEAMM
C=CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000008074732	863051251	/nfs/dbraw/zinc/05/12/51/863051251.db2.gz	OZPHWXMTPCSQMV-UHFFFAOYSA-N	-1	1	399.299	3.639	50	30		GHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1ccc2c(c1)OCO2	ZINC000001035436	212208146	/nfs/dbraw/zinc/20/81/46/212208146.db2.gz	STUQZPZJWJHGNX-CQSZACIVSA-N	-1	1	397.456	3.774	50	30		GHEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)[N-]C1=S	ZINC000000636298	212100011	/nfs/dbraw/zinc/10/00/11/212100011.db2.gz	BGDFXXKUYPRLJD-XDHOZWIPSA-N	-1	1	393.512	3.524	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)cc2)no1	ZINC000008914970	221062183	/nfs/dbraw/zinc/06/21/83/221062183.db2.gz	JWCBMAPSBWWXOG-INIZCTEOSA-N	-1	1	382.397	3.533	50	30		GHEAMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1C#N	ZINC000015723438	221341168	/nfs/dbraw/zinc/34/11/68/221341168.db2.gz	IEDOJNCYQKUGRN-RQZCQDPDSA-N	-1	1	382.466	3.635	50	30		GHEAMM
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc21	ZINC000065021064	222095127	/nfs/dbraw/zinc/09/51/27/222095127.db2.gz	NLQFOKAYSFMXFA-UHFFFAOYSA-N	-1	1	397.500	3.639	50	30		GHEAMM
N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1ncc(C(F)(F)F)cc1Cl	ZINC000049396437	570263481	/nfs/dbraw/zinc/26/34/81/570263481.db2.gz	DLRYGPDWKSRAFW-NSHDSACASA-N	-1	1	382.729	3.734	50	30		GHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000005578623	570447198	/nfs/dbraw/zinc/44/71/98/570447198.db2.gz	JPEDRPITXUZAQU-KRWDZBQOSA-N	-1	1	392.436	3.935	50	30		GHEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OCc1ccccc1	ZINC000023762130	838284012	/nfs/dbraw/zinc/28/40/12/838284012.db2.gz	SCKDOMISYCQQDY-DQACCSDVSA-N	-1	1	392.407	3.502	50	30		GHEAMM
O=c1oc2ccccc2c([O-])c1C=Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1	ZINC000828327424	907701016	/nfs/dbraw/zinc/70/10/16/907701016.db2.gz	SICOHDVEBSUDAR-BJRSVTDJSA-N	-1	1	375.384	3.512	50	30		GHEAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NC1C[C@@H]2CC=C[C@@H]12	ZINC000254705625	916893739	/nfs/dbraw/zinc/89/37/39/916893739.db2.gz	KLANTZAZLUKKIA-XJKSGUPXSA-N	-1	1	398.444	3.760	50	30		GHEAMM
C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[N-]C1=S	ZINC000001200497	212101902	/nfs/dbraw/zinc/10/19/02/212101902.db2.gz	XISSNNSICYEOKN-JLHYYAGUSA-N	-1	1	383.385	3.508	50	30		GHEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1	ZINC000085664728	222325705	/nfs/dbraw/zinc/32/57/05/222325705.db2.gz	DXJMOUNLYRKFDU-UHFFFAOYSA-N	-1	1	398.391	3.829	50	30		GHEAMM
CCc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000009373759	524052875	/nfs/dbraw/zinc/05/28/75/524052875.db2.gz	GKCZFMVGRHSUEB-SFHVURJKSA-N	-1	1	378.384	3.921	50	30		GHEAMM
Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000047991979	570216655	/nfs/dbraw/zinc/21/66/55/570216655.db2.gz	YTGVZTMCIWIZBH-UHFFFAOYSA-N	-1	1	383.404	3.994	50	30		GHEAMM
CC(C)N(C1=C(C(=O)c2ccccc2)[N-]S(=O)(=O)c2ccccc21)C(C)C	ZINC000001180202	570255197	/nfs/dbraw/zinc/25/51/97/570255197.db2.gz	UZVBKIXKXOAVOR-UHFFFAOYSA-N	-1	1	384.501	3.649	50	30		GHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2	ZINC000005931287	570462179	/nfs/dbraw/zinc/46/21/79/570462179.db2.gz	DTPVECSAUYDXJB-INIZCTEOSA-N	-1	1	396.516	3.512	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)no1	ZINC000005800517	570693744	/nfs/dbraw/zinc/69/37/44/570693744.db2.gz	JKXFAMAFOMJDIO-SFHVURJKSA-N	-1	1	394.358	3.611	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2	ZINC000006009071	570813936	/nfs/dbraw/zinc/81/39/36/570813936.db2.gz	MSUHZZIRIIPFGJ-INIZCTEOSA-N	-1	1	395.484	3.621	50	30		GHEAMM
O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]CC(F)(F)F	ZINC000102282700	570845085	/nfs/dbraw/zinc/84/50/85/570845085.db2.gz	JCBOBYSVXDTOFB-UHFFFAOYSA-N	-1	1	397.193	3.560	50	30		GHEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[N-]C1=S	ZINC000001175487	212100058	/nfs/dbraw/zinc/10/00/58/212100058.db2.gz	AWCNONBOPHMXHX-LDADJPATSA-N	-1	1	393.512	3.524	50	30		GHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1	ZINC000007981009	221018041	/nfs/dbraw/zinc/01/80/41/221018041.db2.gz	HNAGZXNJURIXKC-UHFFFAOYSA-N	-1	1	380.454	3.735	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)no1	ZINC000102722070	525046442	/nfs/dbraw/zinc/04/64/42/525046442.db2.gz	BIJVONOQMCCBFE-SELCWUDQSA-N	-1	1	378.359	3.748	50	30		GHEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1O	ZINC000096336110	526834355	/nfs/dbraw/zinc/83/43/55/526834355.db2.gz	DGSQNXCKDUCNJV-CQSZACIVSA-N	-1	1	384.438	3.693	50	30		GHEAMM
CCCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)n1	ZINC000011438402	571046095	/nfs/dbraw/zinc/04/60/95/571046095.db2.gz	BRXZWBPETBKELW-UHFFFAOYSA-N	-1	1	384.505	3.791	50	30		GHEAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005868780	220904750	/nfs/dbraw/zinc/90/47/50/220904750.db2.gz	PJSIWJUQMKQYGA-OAHLLOKOSA-N	-1	1	382.489	3.622	50	30		GHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1	ZINC000001153123	570249127	/nfs/dbraw/zinc/24/91/27/570249127.db2.gz	RXGYWEVZFMGQIN-HNNXBMFYSA-N	-1	1	381.775	3.506	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1ccccn1	ZINC000006786989	570493409	/nfs/dbraw/zinc/49/34/09/570493409.db2.gz	MGGIOTRMSFZSAE-SFHVURJKSA-N	-1	1	392.436	3.935	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)no1	ZINC000005800525	570693599	/nfs/dbraw/zinc/69/35/99/570693599.db2.gz	ARHCITKVWVTSBY-INIZCTEOSA-N	-1	1	384.388	3.967	50	30		GHEAMM
N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCCC2	ZINC000002091830	570939683	/nfs/dbraw/zinc/93/96/83/570939683.db2.gz	MHBYKDOTOWEDMY-UHFFFAOYSA-N	-1	1	386.389	3.957	50	30		GHEAMM
N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccc([O-])cc1	ZINC000020029207	860469837	/nfs/dbraw/zinc/46/98/37/860469837.db2.gz	YIKRLMMDPINYAR-UHFFFAOYSA-N	-1	1	386.436	3.755	50	30		GHEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN=Nc2nc(C)cc(C)n2)cc1	ZINC000825181541	864302569	/nfs/dbraw/zinc/30/25/69/864302569.db2.gz	CUGVMHLGZOORSG-FYJGNVAPSA-N	-1	1	395.488	3.649	50	30		GHEAMM
COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218359971	895453972	/nfs/dbraw/zinc/45/39/72/895453972.db2.gz	GDORWVZSHUYQCT-LBPRGKRZSA-N	-1	1	390.313	3.642	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)s1	ZINC000001103586	212216986	/nfs/dbraw/zinc/21/69/86/212216986.db2.gz	BSNVQIHCAHPFQX-OAHLLOKOSA-N	-1	1	397.481	3.999	50	30		GHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)c1	ZINC000013569370	221274097	/nfs/dbraw/zinc/27/40/97/221274097.db2.gz	WZHFWVSXYGJGNI-KRWDZBQOSA-N	-1	1	396.424	3.836	50	30		GHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)c1	ZINC000013569370	221274101	/nfs/dbraw/zinc/27/41/01/221274101.db2.gz	WZHFWVSXYGJGNI-KRWDZBQOSA-N	-1	1	396.424	3.836	50	30		GHEAMM
C#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1	ZINC000058230365	518364774	/nfs/dbraw/zinc/36/47/74/518364774.db2.gz	QEXUPLXTZWHZIA-OAQYLSRUSA-N	-1	1	384.435	3.770	50	30		GHEAMM
CCCCCCCn1c([O-])c(C(=O)Nc2cnccn2)c(=O)c2ccccc21	ZINC000102499028	520071940	/nfs/dbraw/zinc/07/19/40/520071940.db2.gz	FRORGZTWHVJFFL-UHFFFAOYSA-N	-1	1	380.448	3.720	50	30		GHEAMM
CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102555559	524033656	/nfs/dbraw/zinc/03/36/56/524033656.db2.gz	JDEPLYXFKSEQCZ-SELCWUDQSA-N	-1	1	378.384	3.765	50	30		GHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)cc1	ZINC000001153124	570249504	/nfs/dbraw/zinc/24/95/04/570249504.db2.gz	RXGYWEVZFMGQIN-OAHLLOKOSA-N	-1	1	381.775	3.506	50	30		GHEAMM
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)CCC(=O)[O-])c1ccnc2ccccc21	ZINC000244774142	570433609	/nfs/dbraw/zinc/43/36/09/570433609.db2.gz	PONBXSSHHMVDIH-PRLPJYAQSA-N	-1	1	394.471	3.580	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2	ZINC000005923784	570804473	/nfs/dbraw/zinc/80/44/73/570804473.db2.gz	ONGGRVLZNVRERD-OAHLLOKOSA-N	-1	1	385.464	3.976	50	30		GHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1	ZINC000012560993	570865293	/nfs/dbraw/zinc/86/52/93/570865293.db2.gz	ULYCXKZXCOLUSG-UHFFFAOYSA-N	-1	1	384.486	3.569	50	30		GHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2	ZINC000004944449	571025525	/nfs/dbraw/zinc/02/55/25/571025525.db2.gz	FCRHOLHKCNXJOP-JTQLQIEISA-N	-1	1	381.379	3.541	50	30		GHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)cc2)s1	ZINC000001464677	212246781	/nfs/dbraw/zinc/24/67/81/212246781.db2.gz	UCSJLIKOWGXICD-HNNXBMFYSA-N	-1	1	381.413	3.531	50	30		GHEAMM
COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1cc(C)on1	ZINC000008740964	221054327	/nfs/dbraw/zinc/05/43/27/221054327.db2.gz	IEXPPDQZYJHXTM-KRWDZBQOSA-N	-1	1	396.424	3.836	50	30		GHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1	ZINC000102805260	523378823	/nfs/dbraw/zinc/37/88/23/523378823.db2.gz	PQGZXOAFINWNIQ-GROYHEBESA-N	-1	1	396.424	3.679	50	30		GHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1	ZINC000102805260	523378827	/nfs/dbraw/zinc/37/88/27/523378827.db2.gz	PQGZXOAFINWNIQ-GROYHEBESA-N	-1	1	396.424	3.679	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)no1	ZINC000102801138	525047254	/nfs/dbraw/zinc/04/72/54/525047254.db2.gz	UNDACALHLPDPFD-GHNGSUTGSA-N	-1	1	378.359	3.748	50	30		GHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)no1	ZINC000102803959	525047439	/nfs/dbraw/zinc/04/74/39/525047439.db2.gz	RRIWIRZHFVYHKC-UYTDBDHRSA-N	-1	1	384.775	3.856	50	30		GHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2ccc(F)cc2)cc1	ZINC000017057968	526031489	/nfs/dbraw/zinc/03/14/89/526031489.db2.gz	SIGOKSIQDVLCCN-INIZCTEOSA-N	-1	1	395.415	3.769	50	30		GHEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(N=Cc2ccc(C)s2)cc1	ZINC000004502110	570379644	/nfs/dbraw/zinc/37/96/44/570379644.db2.gz	USBCGMLVVCHKQL-XDHOZWIPSA-N	-1	1	379.507	3.800	50	30		GHEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(N=Cc2ccc(C)s2)cc1	ZINC000004502110	570379645	/nfs/dbraw/zinc/37/96/45/570379645.db2.gz	USBCGMLVVCHKQL-XDHOZWIPSA-N	-1	1	379.507	3.800	50	30		GHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005923852	570461914	/nfs/dbraw/zinc/46/19/14/570461914.db2.gz	XZDULZDJCUGEQR-HNNXBMFYSA-N	-1	1	396.516	3.868	50	30		GHEAMM