smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C=Nn2c(C)n[n-]c2=S)c1	ZINC000000454798	371619916	/nfs/dbraw/zinc/61/99/16/371619916.db2.gz	VGRHXDMNEMXUSY-MDWZMJQESA-N	-1	1	262.338	2.530	50	30		CFEAMM
CC(C)(C)S(=O)(=O)/C(C#N)=N/[N-]c1ccc(Cl)cc1	ZINC000003047656	371771156	/nfs/dbraw/zinc/77/11/56/371771156.db2.gz	VLCPUAZUQXIQNA-LFIBNONCSA-N	-1	1	299.783	2.802	50	30		CFEAMM
Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(F)c1	ZINC000012788951	371987100	/nfs/dbraw/zinc/98/71/00/371987100.db2.gz	GSEHOTXJWVKLFS-UHFFFAOYSA-N	-1	1	290.319	2.807	50	30		CFEAMM
CCOC(=O)C(C#N)=N[N-]c1cc(Cl)ccc1Cl	ZINC000252624204	383422344	/nfs/dbraw/zinc/42/23/44/383422344.db2.gz	PIWHYKVIOPXAML-UHFFFAOYSA-N	-1	1	286.118	2.848	50	30		CFEAMM
CCCCCCCCNC=C1SC(=S)[N-]C1=O	ZINC000109113714	397598322	/nfs/dbraw/zinc/59/83/22/397598322.db2.gz	VUFSLCPATPVFFO-KTKRTIGZSA-N	-1	1	272.439	2.926	50	30		CFEAMM
COc1ccc(-c2c(C#N)c(=O)[n-]c3c2CCCC3)cc1	ZINC000000411721	286263158	/nfs/dbraw/zinc/26/31/58/286263158.db2.gz	WVMKMEZHYXURSG-UHFFFAOYSA-N	-1	1	280.327	2.801	50	30		CFEAMM
CCOc1cc(Br)c(/C=N/[O-])cc1OC	ZINC000005953383	170161379	/nfs/dbraw/zinc/16/13/79/170161379.db2.gz	RZYQWZHRCHHFBV-WUXMJOGZSA-N	-1	1	274.114	2.665	50	30		CFEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1	ZINC000006352469	170194782	/nfs/dbraw/zinc/19/47/82/170194782.db2.gz	TXBXYISFJKBICM-UHFFFAOYSA-N	-1	1	298.367	2.848	50	30		CFEAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(C(C)C)cc2)n1	ZINC000006382143	170196789	/nfs/dbraw/zinc/19/67/89/170196789.db2.gz	QYILVWTWKZQMEA-CXUHLZMHSA-N	-1	1	270.336	2.648	50	30		CFEAMM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1F	ZINC000040231119	174209930	/nfs/dbraw/zinc/20/99/30/174209930.db2.gz	VQZJQRWRKPYSHJ-UHFFFAOYSA-N	-1	1	294.282	2.637	50	30		CFEAMM
O=C1c2ccccc2N[C@H](c2ccccc2[N+](=O)[O-])N1[O-]	ZINC000000444843	280332504	/nfs/dbraw/zinc/33/25/04/280332504.db2.gz	FNBGTIABOVYVKH-ZDUSSCGKSA-N	-1	1	285.259	2.551	50	30		CFEAMM
C=CCSc1nc([O-])c(CC)c(=O)n1[C@@H](C)CC	ZINC000002493841	618170714	/nfs/dbraw/zinc/17/07/14/618170714.db2.gz	SQBAWYKPTIKLLW-VIFPVBQESA-N	-1	1	268.382	2.760	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1cccc(O)c1	ZINC000009154782	647875195	/nfs/dbraw/zinc/87/51/95/647875195.db2.gz	ZVSCXJXQVYHWIJ-VGOFMYFVSA-N	-1	1	254.241	2.714	50	30		CFEAMM
N#Cc1c([N-]C(=O)c2csnn2)sc2c1CCCC2	ZINC000020894188	283083315	/nfs/dbraw/zinc/08/33/15/283083315.db2.gz	DXPQEHRFDUYBSX-UHFFFAOYSA-N	-1	1	290.373	2.602	50	30		CFEAMM
N#Cc1c([N-]C(=O)c2ccno2)sc2c1CCCC2	ZINC000010253912	283082432	/nfs/dbraw/zinc/08/24/32/283082432.db2.gz	FDQRDDKPPHPEGX-UHFFFAOYSA-N	-1	1	273.317	2.739	50	30		CFEAMM
C=CCn1c(=S)[n-]nc1-c1ccc(OC)c(OC)c1	ZINC000000245347	371568233	/nfs/dbraw/zinc/56/82/33/371568233.db2.gz	JCRDSESGVZXDSC-UHFFFAOYSA-N	-1	1	277.349	2.811	50	30		CFEAMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000000378893	371600721	/nfs/dbraw/zinc/60/07/21/371600721.db2.gz	VYLGTYJQVUXXIJ-UHFFFAOYSA-N	-1	1	290.319	2.693	50	30		CFEAMM
C=CCn1c(=S)[n-]nc1-c1cc(OC)cc(OC)c1	ZINC000002477764	371728201	/nfs/dbraw/zinc/72/82/01/371728201.db2.gz	GQNBPSAIMKYLNC-UHFFFAOYSA-N	-1	1	277.349	2.811	50	30		CFEAMM
N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F	ZINC000012794679	371986851	/nfs/dbraw/zinc/98/68/51/371986851.db2.gz	FODOVBGNMKLMIB-UHFFFAOYSA-N	-1	1	294.282	2.637	50	30		CFEAMM
CC(C)COC(=O)[N-]C1=NC(=S)N(C)C12CCCCC2	ZINC000016102158	372100035	/nfs/dbraw/zinc/10/00/35/372100035.db2.gz	JLAZKDFJOHPBPV-UHFFFAOYSA-N	-1	1	297.424	2.700	50	30		CFEAMM
Cc1ccccc1CC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036714218	372586470	/nfs/dbraw/zinc/58/64/70/372586470.db2.gz	IZXFSIZOKGCKCX-UHFFFAOYSA-N	-1	1	284.241	2.963	50	30		CFEAMM
COc1ccc(C(=O)/C(=N\[O-])c2ccc(OC)cc2)cc1	ZINC000059556816	373683359	/nfs/dbraw/zinc/68/33/59/373683359.db2.gz	JIDNNCOZIXYDDS-ICFOKQHNSA-N	-1	1	285.299	2.765	50	30		CFEAMM
O=c1[nH]c2ccccc2nc1C=C([O-])c1cccs1	ZINC000096316004	375485351	/nfs/dbraw/zinc/48/53/51/375485351.db2.gz	JYDAKFBJRTTXHA-DHZHZOJOSA-N	-1	1	270.313	2.879	50	30		CFEAMM
O=C([O-])C(=CC(=O)c1ccccc1)Nc1ccccc1	ZINC000100316634	375619670	/nfs/dbraw/zinc/61/96/70/375619670.db2.gz	YHFPFWGKTZTMBI-KAMYIIQDSA-N	-1	1	267.284	2.950	50	30		CFEAMM
COc1cccc(NC(=O)C(=O)C=C([O-])c2ccccc2)c1	ZINC000101355152	375635906	/nfs/dbraw/zinc/63/59/06/375635906.db2.gz	KKHKTLVFVCVYOB-WJDWOHSUSA-N	-1	1	297.310	2.959	50	30		CFEAMM
COc1cccc(NC(=O)C([O-])=CC(=O)c2ccccc2)c1	ZINC000101355152	375635913	/nfs/dbraw/zinc/63/59/13/375635913.db2.gz	KKHKTLVFVCVYOB-WJDWOHSUSA-N	-1	1	297.310	2.959	50	30		CFEAMM
O=c1[nH]c2ccccc2c([O-])c1C=Nc1ccc(F)cc1	ZINC000016524225	284929737	/nfs/dbraw/zinc/92/97/37/284929737.db2.gz	KCSFKGAWJLPVFB-LCYFTJDESA-N	-1	1	282.274	2.957	50	30		CFEAMM
CC1(C)CCCN(C(=O)c2cc(F)ccc2[O-])[C@@H]1C#N	ZINC000277617961	384354181	/nfs/dbraw/zinc/35/41/81/384354181.db2.gz	VYQAKTPYRPHSQJ-CYBMUJFWSA-N	-1	1	276.311	2.686	50	30		CFEAMM
COC1=C(C(C)(C)C)C(=O)C([O-])=C(C(C)(C)C)C1=O	ZINC000000492415	292150445	/nfs/dbraw/zinc/15/04/45/292150445.db2.gz	AYICBCLLPISQIE-UHFFFAOYSA-N	-1	1	266.337	2.943	50	30		CFEAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1	ZINC000006315787	170190626	/nfs/dbraw/zinc/19/06/26/170190626.db2.gz	PDKMELDNLZQGMC-UHFFFAOYSA-N	-1	1	286.356	2.976	50	30		CFEAMM
CC(C)c1ccc(C=CC(=O)Nc2nnn[n-]2)cc1	ZINC000007009302	170262269	/nfs/dbraw/zinc/26/22/69/170262269.db2.gz	OUQJUQDRHRVMFL-VMPITWQZSA-N	-1	1	257.297	2.625	50	30		CFEAMM
CC(C)c1ccc(C=CC(=O)Nc2nn[n-]n2)cc1	ZINC000007009302	170262271	/nfs/dbraw/zinc/26/22/71/170262271.db2.gz	OUQJUQDRHRVMFL-VMPITWQZSA-N	-1	1	257.297	2.625	50	30		CFEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1	ZINC000007405427	170283285	/nfs/dbraw/zinc/28/32/85/170283285.db2.gz	VTSCWAZDZQAXOB-UHFFFAOYSA-N	-1	1	294.282	2.637	50	30		CFEAMM
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000007405635	170283455	/nfs/dbraw/zinc/28/34/55/170283455.db2.gz	ZTHCNIFBFDUAKE-UHFFFAOYSA-N	-1	1	290.319	2.807	50	30		CFEAMM
O=C1Nc2ccccc2C1=N[N-]c1nc2ccccc2o1	ZINC000006117581	280303448	/nfs/dbraw/zinc/30/34/48/280303448.db2.gz	NWUCBUGDPJNKAC-UHFFFAOYSA-N	-1	1	278.271	2.596	50	30		CFEAMM
O=C([O-])c1ccc(NC=CC(=O)c2ccccc2O)cc1	ZINC000071772505	539462489	/nfs/dbraw/zinc/46/24/89/539462489.db2.gz	CVCXVILFTAMXBE-MDZDMXLPSA-N	-1	1	283.283	2.899	50	30		CFEAMM
O=c1[nH]c2ccccc2c([O-])c1C=Nc1ccccc1	ZINC000107464785	347735358	/nfs/dbraw/zinc/73/53/58/347735358.db2.gz	OPRCAIYSBBFTJE-JLHYYAGUSA-N	-1	1	264.284	2.817	50	30		CFEAMM
CC(C)(C)/C=N/[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000000095945	371529510	/nfs/dbraw/zinc/52/95/10/371529510.db2.gz	IVCXOSSVNFXKSZ-IZZDOVSWSA-N	-1	1	280.802	2.712	50	30		CFEAMM
Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN(C)C)C2=O)o1	ZINC000002342109	371721503	/nfs/dbraw/zinc/72/15/03/371721503.db2.gz	SMXYDMGRVSVYHB-NVNXTCNLSA-N	-1	1	299.326	2.971	50	30		CFEAMM
O=C([O-])c1ccccc1C=NNc1ncnc2ccccc21	ZINC000004536862	371862020	/nfs/dbraw/zinc/86/20/20/371862020.db2.gz	RQKISKWDLYBFGZ-DJKKODMXSA-N	-1	1	292.298	2.774	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc2c(c1)OCO2	ZINC000002160762	285015892	/nfs/dbraw/zinc/01/58/92/285015892.db2.gz	VDONNSGYFLFOCD-UUASQNMZSA-N	-1	1	282.251	2.737	50	30		CFEAMM
[O-]N=C(Cc1nc2ccccc2[nH]1)c1ccccc1	ZINC000254478601	383468112	/nfs/dbraw/zinc/46/81/12/383468112.db2.gz	YMHSLWUPHSLIJT-UHFFFAOYSA-N	-1	1	251.289	2.984	50	30		CFEAMM
N#CCSc1nnc(NN=Cc2cccc(Cl)c2)[n-]1	ZINC000020437107	393485175	/nfs/dbraw/zinc/48/51/75/393485175.db2.gz	WTHYWNDCAGXZRR-VGOFMYFVSA-N	-1	1	292.755	2.520	50	30		CFEAMM
Cc1cc(C)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000102500618	397594228	/nfs/dbraw/zinc/59/42/28/397594228.db2.gz	RNMFNJCMYYZCPP-DWTRPJMMSA-N	-1	1	284.311	2.532	50	30		CFEAMM
Cc1n[n-]c(=S)n1N=Cc1ccccc1Br	ZINC000005730846	170134557	/nfs/dbraw/zinc/13/45/57/170134557.db2.gz	LCFBUNGJAZANOX-WUXMJOGZSA-N	-1	1	297.181	2.894	50	30		CFEAMM
Cc1nn(C)c(C)c1/C=C/C(=O)c1ccc([O-])cc1	ZINC000006526088	170210395	/nfs/dbraw/zinc/21/03/95/170210395.db2.gz	RMXLVBGAJLITFE-CMDGGOBGSA-N	-1	1	256.305	2.639	50	30		CFEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1	ZINC000007056132	170265071	/nfs/dbraw/zinc/26/50/71/170265071.db2.gz	OQBLGBAWCWVLHV-UHFFFAOYSA-N	-1	1	298.367	2.848	50	30		CFEAMM
N/C(=N\[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002547487	260009595	/nfs/dbraw/zinc/00/95/95/260009595.db2.gz	GGAPMNUHESBFNK-UHFFFAOYSA-N	-1	1	272.148	2.819	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(C)cc2C)c(=O)o1	ZINC000105640863	301161010	/nfs/dbraw/zinc/16/10/10/301161010.db2.gz	IHSYLMREHRFCQP-KEGWNNHHSA-N	-1	1	298.338	2.840	50	30		CFEAMM
C=C(C)Cc1c(COC)nc(SCC2CC2)[n-]c1=O	ZINC000017952443	518636495	/nfs/dbraw/zinc/63/64/95/518636495.db2.gz	ZCNIQSUWGIDQPB-UHFFFAOYSA-N	-1	1	280.393	2.537	50	30		CFEAMM
CCN(C[C@H](C)C#N)C(=O)c1c([O-])cnc2ccccc21	ZINC000095978377	185051907	/nfs/dbraw/zinc/05/19/07/185051907.db2.gz	OZVGYYYTERYIAC-LLVKDONJSA-N	-1	1	283.331	2.562	50	30		CFEAMM
Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/[O-])cc1	ZINC000000297895	371581642	/nfs/dbraw/zinc/58/16/42/371581642.db2.gz	XQFLPTJKLFFEFH-LICLKQGHSA-N	-1	1	294.314	2.555	50	30		CFEAMM
Cc1cc(=O)[n-]c(NN=Cc2cccc(C(F)(F)F)c2)n1	ZINC000003909594	371826037	/nfs/dbraw/zinc/82/60/37/371826037.db2.gz	VAIJSZJHHGYOKW-REZTVBANSA-N	-1	1	296.252	2.543	50	30		CFEAMM
C=CCn1c(COc2ccccc2OC)n[n-]c1=S	ZINC000005486331	371882782	/nfs/dbraw/zinc/88/27/82/371882782.db2.gz	DABRDESRHVVWCY-UHFFFAOYSA-N	-1	1	277.349	2.714	50	30		CFEAMM
Cn1c(Cl)cnc1/C=C/C(=O)c1ccc([O-])cc1	ZINC000004137212	371836094	/nfs/dbraw/zinc/83/60/94/371836094.db2.gz	HEHOHKSRKWTFFB-VOTSOKGWSA-N	-1	1	262.696	2.675	50	30		CFEAMM
C=CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000016196202	372101616	/nfs/dbraw/zinc/10/16/16/372101616.db2.gz	BIJSDXPMZRSRTF-WQLSENKSSA-N	-1	1	291.328	2.584	50	30		CFEAMM
C=CCc1c(CCC)nc(-c2ccccn2)[n-]c1=O	ZINC000017859725	372136568	/nfs/dbraw/zinc/13/65/68/372136568.db2.gz	SJJRPPDSAGRZRG-UHFFFAOYSA-N	-1	1	255.321	2.513	50	30		CFEAMM
Cn1cc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cn1	ZINC000049372107	412939934	/nfs/dbraw/zinc/93/99/34/412939934.db2.gz	QIMJNICWXVGCKX-DUXPYHPUSA-N	-1	1	262.696	2.675	50	30		CFEAMM
C=CCN(Cc1cccs1)C(=O)c1cccc2nn[nH]c21	ZINC000189703326	382636426	/nfs/dbraw/zinc/63/64/26/382636426.db2.gz	JFUPAGLVZMJRLX-UHFFFAOYSA-N	-1	1	298.371	2.848	50	30		CFEAMM
Cn1c(CC(=N[O-])c2ccccc2)nc2ccccc21	ZINC000606315629	383132211	/nfs/dbraw/zinc/13/22/11/383132211.db2.gz	VCGVKTADLHNERP-UHFFFAOYSA-N	-1	1	265.316	2.994	50	30		CFEAMM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1cccnc1)O2	ZINC000006669299	393464535	/nfs/dbraw/zinc/46/45/35/393464535.db2.gz	GQEJWALMKZTDDM-MLPAPPSSSA-N	-1	1	253.257	2.712	50	30		CFEAMM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3nc[nH]c3c2)c1	ZINC000005003835	170053719	/nfs/dbraw/zinc/05/37/19/170053719.db2.gz	BOIIDPVLBLMMOV-VIZOYTHASA-N	-1	1	282.259	2.927	50	30		CFEAMM
C=CCn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1	ZINC000006293531	170188935	/nfs/dbraw/zinc/18/89/35/170188935.db2.gz	UXWIWMSECBUGBZ-LLVKDONJSA-N	-1	1	275.333	2.639	50	30		CFEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1	ZINC000006315186	170190488	/nfs/dbraw/zinc/19/04/88/170190488.db2.gz	YYNXUAKGLVBVMP-UHFFFAOYSA-N	-1	1	298.367	2.848	50	30		CFEAMM
Cc1c(/C=C/C(=O)c2ccc([O-])cc2)cc(C#N)n1C	ZINC000007718026	170298940	/nfs/dbraw/zinc/29/89/40/170298940.db2.gz	PSEJFIFETBIJDK-VMPITWQZSA-N	-1	1	266.300	2.807	50	30		CFEAMM
C=CCSc1nc(C)c(CCC(C)C)c(=O)[n-]1	ZINC000008767735	170354835	/nfs/dbraw/zinc/35/48/35/170354835.db2.gz	JBGPIEUSMSSQRP-UHFFFAOYSA-N	-1	1	252.383	2.945	50	30		CFEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000022475055	171388631	/nfs/dbraw/zinc/38/86/31/171388631.db2.gz	AIYXPQRUHBNZPW-UHFFFAOYSA-N	-1	1	275.304	2.608	50	30		CFEAMM
O=C1c2cccc3c(Br)ccc(c32)C(=O)N1[O-]	ZINC000000096989	280330912	/nfs/dbraw/zinc/33/09/12/280330912.db2.gz	SMFFDONWMCQXFW-UHFFFAOYSA-N	-1	1	292.088	2.588	50	30		CFEAMM
Cc1c(/C=C2\Oc3cc([O-])ccc3C2=O)cc(C#N)n1C	ZINC000096930450	185132498	/nfs/dbraw/zinc/13/24/98/185132498.db2.gz	ZAUZWHKLWMVOMC-UUASQNMZSA-N	-1	1	280.283	2.527	50	30		CFEAMM
O=C(C=C([O-])C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000106650166	347732074	/nfs/dbraw/zinc/73/20/74/347732074.db2.gz	KIWJUJSYTPFRDA-WEVVVXLNSA-N	-1	1	261.155	2.782	50	30		CFEAMM
O=C(/C=C/c1ccccc1O)c1cc(O)ccc1[O-]	ZINC000004252711	371846223	/nfs/dbraw/zinc/84/62/23/371846223.db2.gz	NXTSNFDLQUTBRV-FNORWQNLSA-N	-1	1	256.257	2.700	50	30	biogenic,in-vitro	CFEAMM
CCCc1cc(=O)c2ccc(OC/C(C)=N/[O-])cc2o1	ZINC000015923513	372095945	/nfs/dbraw/zinc/09/59/45/372095945.db2.gz	WPXRRJCOJXFIPU-MHWRWJLKSA-N	-1	1	275.304	2.974	50	30		CFEAMM
C=C(C)CSc1nc(C)c(CC(=C)C)c(=O)[n-]1	ZINC000018178285	372142883	/nfs/dbraw/zinc/14/28/83/372142883.db2.gz	KYILTJNEFZECHG-UHFFFAOYSA-N	-1	1	250.367	2.865	50	30		CFEAMM
O=[N+]([O-])c1ccc([O-])c(C=NNc2nc3ccccc3[nH]2)c1	ZINC000036081502	372555873	/nfs/dbraw/zinc/55/58/73/372555873.db2.gz	INTFNAOTAHTHOX-OVCLIPMQSA-N	-1	1	297.274	2.623	50	30		CFEAMM
Cc1ccc(NC=CC(=O)C2=C([O-])CCCC2=O)cc1C	ZINC000100102446	375613172	/nfs/dbraw/zinc/61/31/72/375613172.db2.gz	MBTWVNKZOUHKBT-HJWRWDBZSA-N	-1	1	285.343	2.736	50	30		CFEAMM
Cc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccn2)c(C)c1	ZINC000100141763	375614663	/nfs/dbraw/zinc/61/46/63/375614663.db2.gz	VNCIVEZNYQCWGE-GDNBJRDFSA-N	-1	1	296.326	2.962	50	30		CFEAMM
Cc1ccc(C(=O)C=C([O-])C(=O)Nc2ccccn2)c(C)c1	ZINC000100141763	375614670	/nfs/dbraw/zinc/61/46/70/375614670.db2.gz	VNCIVEZNYQCWGE-GDNBJRDFSA-N	-1	1	296.326	2.962	50	30		CFEAMM
COc1cccc(C(=O)/C=C2/Nc3cc([O-])ccc3C2=O)c1	ZINC000100224333	375615728	/nfs/dbraw/zinc/61/57/28/375615728.db2.gz	LGUGVUVTMUQGND-OQLLNIDSSA-N	-1	1	295.294	2.776	50	30		CFEAMM
O=C(C=C([O-])C(=O)Nc1ccccc1)c1ccccc1	ZINC000100330964	375619382	/nfs/dbraw/zinc/61/93/82/375619382.db2.gz	VYTANSFCJLTITO-PTNGSMBKSA-N	-1	1	267.284	2.950	50	30		CFEAMM
CC1(C)CC(=O)C(C(=O)C=Cc2ccccc2)=C([O-])C1	ZINC000100551778	375624405	/nfs/dbraw/zinc/62/44/05/375624405.db2.gz	DQKSJYDDCARFFO-CMDGGOBGSA-N	-1	1	270.328	2.843	50	30		CFEAMM
N#Cc1ccc([O-])c(-c2ccc(CN3CCOCC3)cc2)c1	ZINC000521398613	383294537	/nfs/dbraw/zinc/29/45/37/383294537.db2.gz	UHTKEGVMJUZLKW-UHFFFAOYSA-N	-1	1	294.354	2.763	50	30		CFEAMM
CC(COc1ccc2c3c(c(=O)oc2c1)CCC3)=N[O-]	ZINC000252590310	383420897	/nfs/dbraw/zinc/42/08/97/383420897.db2.gz	AREHSBFXUSWZPZ-UHFFFAOYSA-N	-1	1	273.288	2.511	50	30		CFEAMM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccno3)sc2C1	ZINC000010253917	393470801	/nfs/dbraw/zinc/47/08/01/393470801.db2.gz	ITFKFAABBCZLLF-QMMMGPOBSA-N	-1	1	287.344	2.985	50	30		CFEAMM
Cc1n[n-]c(=S)n1N=Cc1ccc(OC(F)F)cc1	ZINC000008511552	170338346	/nfs/dbraw/zinc/33/83/46/170338346.db2.gz	RDLJAFPYZQKTIO-MKMNVTDBSA-N	-1	1	284.291	2.733	50	30		CFEAMM
CCOc1ccc(-c2[nH]c(=S)[n-]c(=O)c2C#N)cc1	ZINC000008730731	170350545	/nfs/dbraw/zinc/35/05/45/170350545.db2.gz	AEMVTDYMJXBYBO-UHFFFAOYSA-N	-1	1	273.317	2.782	50	30		CFEAMM
CCCCCCCNC=C1SC(=S)[N-]C1=O	ZINC000109837580	539439980	/nfs/dbraw/zinc/43/99/80/539439980.db2.gz	JKUWJYLEHLZLIH-CMDGGOBGSA-N	-1	1	258.412	2.536	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(Cl)c2)c(=O)o1	ZINC000105639387	186067163	/nfs/dbraw/zinc/06/71/63/186067163.db2.gz	ZJPFWLZDCFWUQD-GEXIGZQTSA-N	-1	1	290.702	2.568	50	30		CFEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000003170783	371777534	/nfs/dbraw/zinc/77/75/34/371777534.db2.gz	NMPJMAWITDKNNJ-UHFFFAOYSA-N	-1	1	271.341	2.777	50	30		CFEAMM
S=c1[n-]ncn1N=Cc1ccc(Br)cc1	ZINC000018119517	372140844	/nfs/dbraw/zinc/14/08/44/372140844.db2.gz	BPJDVCYIMVDSFB-LFYBBSHMSA-N	-1	1	283.154	2.585	50	30		CFEAMM
N#Cc1c(=O)[n-]c2c(c1-c1ccccc1)CCCC2	ZINC000039259382	372775004	/nfs/dbraw/zinc/77/50/04/372775004.db2.gz	KIAKRKJPPWTPJE-UHFFFAOYSA-N	-1	1	250.301	2.792	50	30		CFEAMM
N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O	ZINC000008619718	393469187	/nfs/dbraw/zinc/46/91/87/393469187.db2.gz	UYBXUZBWQBNSNV-UHFFFAOYSA-N	-1	1	254.333	2.714	50	30		CFEAMM
Cc1cc([O-])c(CN(C)C)c2c1C(=O)/C(=C/c1ccco1)O2	ZINC000020573663	393486718	/nfs/dbraw/zinc/48/67/18/393486718.db2.gz	HOBSMAHCDHPHMN-ZSOIEALJSA-N	-1	1	299.326	2.971	50	30		CFEAMM
COc1cccc([C@H]2Nc3ccccc3C(=O)N2[O-])c1	ZINC000000374743	286469832	/nfs/dbraw/zinc/46/98/32/286469832.db2.gz	BRVSWDGLHOBBKR-AWEZNQCLSA-N	-1	1	270.288	2.651	50	30		CFEAMM
CCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000007057501	170265108	/nfs/dbraw/zinc/26/51/08/170265108.db2.gz	INBNMBDBLDBYLD-UHFFFAOYSA-N	-1	1	286.356	2.921	50	30		CFEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000040116198	260135726	/nfs/dbraw/zinc/13/57/26/260135726.db2.gz	FXXMUIOXUGJJKO-UHFFFAOYSA-N	-1	1	298.408	2.802	50	30		CFEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(C(C)C)cc1	ZINC000040116198	260135728	/nfs/dbraw/zinc/13/57/28/260135728.db2.gz	FXXMUIOXUGJJKO-UHFFFAOYSA-N	-1	1	298.408	2.802	50	30		CFEAMM
[O-]/N=C1\C[C@](O)(C(F)(F)F)Oc2ccc(Cl)cc21	ZINC000004996720	295390732	/nfs/dbraw/zinc/39/07/32/295390732.db2.gz	XCZYMAYEBAWIIK-NEFPKRPYSA-N	-1	1	281.617	2.552	50	30		CFEAMM
CCCc1cc(=O)[n-]c(NN=C(C)c2cccs2)n1	ZINC000007994951	521343601	/nfs/dbraw/zinc/34/36/01/521343601.db2.gz	OHYHQMADQHPHQC-CXUHLZMHSA-N	-1	1	276.365	2.620	50	30		CFEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C#N	ZINC000000990491	346205723	/nfs/dbraw/zinc/20/57/23/346205723.db2.gz	UTZPSNPPSOBFMI-UHFFFAOYSA-N	-1	1	272.329	2.668	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(Cl)c2)c(=O)o1	ZINC000105639381	186066806	/nfs/dbraw/zinc/06/68/06/186066806.db2.gz	ZJPFWLZDCFWUQD-GXMNPTEKSA-N	-1	1	290.702	2.568	50	30		CFEAMM
O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1[O-]	ZINC000000444804	371616501	/nfs/dbraw/zinc/61/65/01/371616501.db2.gz	PLMQFSYKWPUFMJ-CYBMUJFWSA-N	-1	1	285.259	2.551	50	30		CFEAMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000003348360	371792901	/nfs/dbraw/zinc/79/29/01/371792901.db2.gz	ATAWIGJBYXVNOR-UHFFFAOYSA-N	-1	1	290.319	2.807	50	30		CFEAMM
O=C(C=C([O-])C(=O)Nc1ccccc1O)c1ccccc1	ZINC000100672396	375626256	/nfs/dbraw/zinc/62/62/56/375626256.db2.gz	HQCFFKFRQAFBBM-XNTDXEJSSA-N	-1	1	283.283	2.656	50	30		CFEAMM
O=C(C=C([O-])C(=O)Nc1ccccc1)c1ccccc1	ZINC000100668151	375626274	/nfs/dbraw/zinc/62/62/74/375626274.db2.gz	VYTANSFCJLTITO-RVDMUPIBSA-N	-1	1	267.284	2.950	50	30		CFEAMM
N#CC(=C([O-])c1cccnc1)c1cnc2ccccc2n1	ZINC000170611866	379128525	/nfs/dbraw/zinc/12/85/25/379128525.db2.gz	QTADGMWQLZCUST-GFCCVEGCSA-N	-1	1	274.283	2.515	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000000536677	285015989	/nfs/dbraw/zinc/01/59/89/285015989.db2.gz	SJNIVFZEKRLLEP-AUWJEWJLSA-N	-1	1	283.239	2.917	50	30		CFEAMM
CC(C)(C)c1ccc(-c2[nH]c(=S)[n-]c(=O)c2C#N)cc1	ZINC000005238823	393460990	/nfs/dbraw/zinc/46/09/90/393460990.db2.gz	IIJVFFBOWAKJOE-UHFFFAOYSA-N	-1	1	285.372	2.895	50	30		CFEAMM
O=C1c2ccc([O-])c(O)c2O/C1=C\c1ccccc1F	ZINC000072238401	393650463	/nfs/dbraw/zinc/65/04/63/393650463.db2.gz	SQOTXSUGLGKCHH-GHXNOFRVSA-N	-1	1	272.231	2.853	50	30		CFEAMM
N#CCc1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1	ZINC000004344019	260014983	/nfs/dbraw/zinc/01/49/83/260014983.db2.gz	BBHMKDTZUOFHFA-UHFFFAOYSA-N	-1	1	252.199	2.557	50	30		CFEAMM
Cc1ccc(O)cc1/N=N/c1nc(C#N)c(C#N)[n-]1	ZINC000004817945	301654900	/nfs/dbraw/zinc/65/49/00/301654900.db2.gz	UWZIOWFLJWCGGE-ISLYRVAYSA-N	-1	1	252.237	2.582	50	30		CFEAMM
Cn1cc(C#N)cc1C(=O)Nc1ccc(Cl)cc1[O-]	ZINC000096484150	230380708	/nfs/dbraw/zinc/38/07/08/230380708.db2.gz	UZFFNIFTTVOVOT-UHFFFAOYSA-N	-1	1	275.695	2.508	50	30		CFEAMM
O=[N+]([O-])c1cccc(/N=C/c2cccc([O-])c2O)c1	ZINC000000065250	371521290	/nfs/dbraw/zinc/52/12/90/371521290.db2.gz	HVVAPTGSJJLYHM-RIYZIHGNSA-N	-1	1	258.233	2.757	50	30		CFEAMM
O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1[O-]	ZINC000000444803	371616467	/nfs/dbraw/zinc/61/64/67/371616467.db2.gz	PLMQFSYKWPUFMJ-ZDUSSCGKSA-N	-1	1	285.259	2.551	50	30		CFEAMM
COc1ccc2c(c1)C(=N[O-])c1cc(OC)ccc1-2	ZINC000000235325	371562376	/nfs/dbraw/zinc/56/23/76/371562376.db2.gz	JXJWUGYSTWEARC-UHFFFAOYSA-N	-1	1	255.273	2.911	50	30		CFEAMM
C=CCn1c([C@@H](CC)CC(C)(C)O)n[n-]c1=S	ZINC000001256226	371665010	/nfs/dbraw/zinc/66/50/10/371665010.db2.gz	XTNUQFPJPWKBNJ-VIFPVBQESA-N	-1	1	255.387	2.781	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1cccc(O)c1	ZINC000011990412	371938679	/nfs/dbraw/zinc/93/86/79/371938679.db2.gz	ZVSCXJXQVYHWIJ-AUWJEWJLSA-N	-1	1	254.241	2.714	50	30		CFEAMM
O=C(NCC#Cc1ccccc1)c1ccc(Cl)cc1[O-]	ZINC000089821662	374957357	/nfs/dbraw/zinc/95/73/57/374957357.db2.gz	QRDPBRIDDUDDNV-UHFFFAOYSA-N	-1	1	285.730	2.827	50	30		CFEAMM
Cc1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1	ZINC000252623949	383422004	/nfs/dbraw/zinc/42/20/04/383422004.db2.gz	PCULAIQHZZGBRM-UHFFFAOYSA-N	-1	1	252.730	2.785	50	30		CFEAMM
O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1[O-]	ZINC000000445005	296440778	/nfs/dbraw/zinc/44/07/78/296440778.db2.gz	SKFJGBYTAFUYJS-ZDUSSCGKSA-N	-1	1	285.259	2.551	50	30		CFEAMM
CCCCCCCCNC=C1SC(=S)[N-]C1=O	ZINC000109113716	397598500	/nfs/dbraw/zinc/59/85/00/397598500.db2.gz	VUFSLCPATPVFFO-MDZDMXLPSA-N	-1	1	272.439	2.926	50	30		CFEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000007056082	170264877	/nfs/dbraw/zinc/26/48/77/170264877.db2.gz	KHKYIDIZBIORBR-UHFFFAOYSA-N	-1	1	294.282	2.637	50	30		CFEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2	ZINC000020504012	276809799	/nfs/dbraw/zinc/80/97/99/276809799.db2.gz	YCBWIPVGHBHOHK-ZSOIEALJSA-N	-1	1	285.299	2.663	50	30		CFEAMM
N#Cc1c(=O)[n-]c2c(c1-c1cccs1)CCCC2	ZINC000013465525	279493095	/nfs/dbraw/zinc/49/30/95/279493095.db2.gz	ZSDGAUOTLSZBIE-UHFFFAOYSA-N	-1	1	256.330	2.854	50	30		CFEAMM
CN(C)c1ccc(-c2c(C#N)c(=O)[n-]c3c2CCCC3)cc1	ZINC000041483486	282279661	/nfs/dbraw/zinc/27/96/61/282279661.db2.gz	ZYNILYPPAVWSHI-UHFFFAOYSA-N	-1	1	293.370	2.858	50	30		CFEAMM
Cc1cc(N=Cc2nc(-c3ccco3)oc2[O-])no1	ZINC000000481117	371628000	/nfs/dbraw/zinc/62/80/00/371628000.db2.gz	HZSSNNRXMOKFHV-AWNIVKPZSA-N	-1	1	259.221	2.687	50	30		CFEAMM
C=C(C)Cc1c(C)nc(SCC(=O)C(C)(C)C)[n-]c1=O	ZINC000018156699	372141013	/nfs/dbraw/zinc/14/10/13/372141013.db2.gz	SEFNZQKYVPQHHS-UHFFFAOYSA-N	-1	1	294.420	2.904	50	30		CFEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000041636845	372854687	/nfs/dbraw/zinc/85/46/87/372854687.db2.gz	JVACVINWWKJWSP-UHFFFAOYSA-N	-1	1	293.294	2.747	50	30		CFEAMM
CCCCCOc1c(O)c(/C=N/[O-])ccc1OC	ZINC000095470428	375460024	/nfs/dbraw/zinc/46/00/24/375460024.db2.gz	JJVKWUQYYCJQKW-NTEUORMPSA-N	-1	1	253.298	2.778	50	30		CFEAMM
CC1(C)CC(=O)C(C(=O)C=CNc2ccccc2)=C([O-])C1	ZINC000100098430	375613594	/nfs/dbraw/zinc/61/35/94/375613594.db2.gz	BHTVLCWBRJSFDG-HJWRWDBZSA-N	-1	1	285.343	2.756	50	30		CFEAMM
COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)c1	ZINC000103503666	397595268	/nfs/dbraw/zinc/59/52/68/397595268.db2.gz	ABVKRQOXYCKCMG-ZDUSSCGKSA-N	-1	1	298.298	2.558	50	30		CFEAMM
C=CCn1c(=S)[n-]nc1-c1ccc2c(c1)OCO2	ZINC000005624819	170121425	/nfs/dbraw/zinc/12/14/25/170121425.db2.gz	SISWGCCVSKAIFN-UHFFFAOYSA-N	-1	1	261.306	2.522	50	30		CFEAMM
Cc1n[n-]c(=S)n1N=Cc1c(O)ccc2ccccc21	ZINC000005730842	170134295	/nfs/dbraw/zinc/13/42/95/170134295.db2.gz	LYUPTNYKJLOAKU-OVCLIPMQSA-N	-1	1	284.344	2.990	50	30		CFEAMM
COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000005999049	170166678	/nfs/dbraw/zinc/16/66/78/170166678.db2.gz	JVGNTXGHBHMJDO-QHHAFSJGSA-N	-1	1	286.283	2.708	50	30	biogenic,in-vitro	CFEAMM
Cc1cc(=O)[n-]c(NN=Cc2cccc3ccccc23)n1	ZINC000007891459	170306286	/nfs/dbraw/zinc/30/62/86/170306286.db2.gz	OAXWPNMYCBEQSJ-LICLKQGHSA-N	-1	1	278.315	2.678	50	30		CFEAMM
Cc1cc(-c2ccc(Br)cc2)c(C#N)c(=O)[n-]1	ZINC000000546988	278618598	/nfs/dbraw/zinc/61/85/98/278618598.db2.gz	HOUMLSSTOWODNN-UHFFFAOYSA-N	-1	1	289.132	2.985	50	30		CFEAMM
N#Cc1c(=O)[n-]c(-c2ccccc2)c2c1CCCC2	ZINC000008772684	279493149	/nfs/dbraw/zinc/49/31/49/279493149.db2.gz	FEVDPUCGQBSYBW-UHFFFAOYSA-N	-1	1	250.301	2.792	50	30		CFEAMM
O=C(c1ccccc1)C1=C[N-]c2ccccc2S1(=O)=O	ZINC000067340750	526789331	/nfs/dbraw/zinc/78/93/31/526789331.db2.gz	UACZPBKFOGIIRQ-UHFFFAOYSA-N	-1	1	285.324	2.610	50	30		CFEAMM
COC(=O)c1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1	ZINC000012860406	371991098	/nfs/dbraw/zinc/99/10/98/371991098.db2.gz	WKCCLTCDMHZBDV-NVNXTCNLSA-N	-1	1	296.278	2.795	50	30		CFEAMM
O=C1C(=O)C(c2cccc([N+](=O)[O-])c2)=C([O-])c2ccccc21	ZINC000013110466	372015157	/nfs/dbraw/zinc/01/51/57/372015157.db2.gz	NKTVDNQYNHDVFI-UHFFFAOYSA-N	-1	1	295.250	2.943	50	30		CFEAMM
CSC(=S)[N-]CCN=C(SC)SC	ZINC000013409709	372026136	/nfs/dbraw/zinc/02/61/36/372026136.db2.gz	UJGVITGIWYKPOV-UHFFFAOYSA-N	-1	1	254.471	2.717	50	30		CFEAMM
O=c1cc(N=Cc2coc3ccccc3c2=O)[nH]c(=S)[n-]1	ZINC000018023629	372138357	/nfs/dbraw/zinc/13/83/57/372138357.db2.gz	GPABFBXRSJRYDK-GIDUJCDVSA-N	-1	1	299.311	2.702	50	30		CFEAMM
C#Cc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1	ZINC000041636937	372855329	/nfs/dbraw/zinc/85/53/29/372855329.db2.gz	MNERNHYLSJYDIK-UHFFFAOYSA-N	-1	1	299.351	2.671	50	30		CFEAMM
O=C(C=C([O-])C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000100879579	375629535	/nfs/dbraw/zinc/62/95/35/375629535.db2.gz	WRARGKXNXDIYCL-WEVVVXLNSA-N	-1	1	261.155	2.782	50	30		CFEAMM
COc1ccc(/C(Cc2ccccc2)=N\[O-])c(O)c1	ZINC000103922186	375761015	/nfs/dbraw/zinc/76/10/15/375761015.db2.gz	ZWZONOUUSIGLOE-PEZBUJJGSA-N	-1	1	257.289	2.822	50	30		CFEAMM
O=C1Nc2ccccc2/C1=C1\[N-]c2ccccc2C1=O	ZINC000100015416	284929068	/nfs/dbraw/zinc/92/90/68/284929068.db2.gz	CRDNMYFJWFXOCH-BUHFOSPRSA-N	-1	1	262.268	2.658	50	30	aggregator,biogenic,investigational	CFEAMM
C=C(C)Cc1c(C)nc(SCC(C)C)[n-]c1=O	ZINC000008169746	170322854	/nfs/dbraw/zinc/32/28/54/170322854.db2.gz	LHBBQJAFWTWTOT-UHFFFAOYSA-N	-1	1	252.383	2.945	50	30		CFEAMM
C=CCOc1ccc(Br)cc1/C=N/[O-]	ZINC000008579713	170341906	/nfs/dbraw/zinc/34/19/06/170341906.db2.gz	QUXREYUICQSXSX-KPKJPENVSA-N	-1	1	256.099	2.822	50	30		CFEAMM
C=CCSc1nnc(NC(=O)c2ccccc2[O-])s1	ZINC000008917154	170359017	/nfs/dbraw/zinc/35/90/17/170359017.db2.gz	UATDOQYUWHTPKC-UHFFFAOYSA-N	-1	1	293.373	2.774	50	30		CFEAMM
N#Cc1cc2c([n-]c1=O)CC[C@@H](c1ccccc1)C2	ZINC000043404413	279507686	/nfs/dbraw/zinc/50/76/86/279507686.db2.gz	DSRINXYIXGEMTH-GFCCVEGCSA-N	-1	1	250.301	2.519	50	30		CFEAMM
O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1[O-]	ZINC000000444844	280332273	/nfs/dbraw/zinc/33/22/73/280332273.db2.gz	FNBGTIABOVYVKH-CYBMUJFWSA-N	-1	1	285.259	2.551	50	30		CFEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(C)c1	ZINC000102500366	618837189	/nfs/dbraw/zinc/83/71/89/618837189.db2.gz	KOVDDKZXZITNQO-FYCOFBDGSA-N	-1	1	284.311	2.532	50	30		CFEAMM
Cc1[nH]c2ccccc2c1C=NNc1nc(C)cc(=O)[n-]1	ZINC000606346902	351262608	/nfs/dbraw/zinc/26/26/08/351262608.db2.gz	ZCNMDWHWQNWMIW-UHFFFAOYSA-N	-1	1	281.319	2.726	50	30		CFEAMM
N#Cc1cc2c([n-]c1=O)CC[C@H](c1ccccc1)C2	ZINC000043404415	283115597	/nfs/dbraw/zinc/11/55/97/283115597.db2.gz	DSRINXYIXGEMTH-LBPRGKRZSA-N	-1	1	250.301	2.519	50	30		CFEAMM
O=C1c2ccccc2N[C@H](c2cnc3ccccc3n2)N1[O-]	ZINC000000213925	371561362	/nfs/dbraw/zinc/56/13/62/371561362.db2.gz	KQTRFZPOCHAMMM-HNNXBMFYSA-N	-1	1	292.298	2.586	50	30		CFEAMM
COc1ccc(C(=O)/C(=N\[O-])c2ccccc2)cc1	ZINC000013466710	372028831	/nfs/dbraw/zinc/02/88/31/372028831.db2.gz	SDDQJPHXDSRUQR-PEZBUJJGSA-N	-1	1	255.273	2.756	50	30		CFEAMM
N#Cc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c1	ZINC000033559259	372496848	/nfs/dbraw/zinc/49/68/48/372496848.db2.gz	VPPPUXXDHZUJRJ-UHFFFAOYSA-N	-1	1	263.256	2.800	50	30		CFEAMM
C/C(COc1ccc2c3c(c(=O)oc2c1)CCC3)=N/[O-]	ZINC000097466839	375562603	/nfs/dbraw/zinc/56/26/03/375562603.db2.gz	AREHSBFXUSWZPZ-SXGWCWSVSA-N	-1	1	273.288	2.511	50	30		CFEAMM
O=c1[nH]c2ccccc2c([O-])c1C=Nc1ccccc1	ZINC000100296777	284929751	/nfs/dbraw/zinc/92/97/51/284929751.db2.gz	OPRCAIYSBBFTJE-RAXLEYEMSA-N	-1	1	264.284	2.817	50	30		CFEAMM
Cc1cc(C)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000104150765	397595921	/nfs/dbraw/zinc/59/59/21/397595921.db2.gz	RNMFNJCMYYZCPP-AWFCHZOYSA-N	-1	1	284.311	2.532	50	30		CFEAMM
C=CCn1c([C@H](C)NC(=O)c2ccccc2)n[n-]c1=S	ZINC000005912062	170154438	/nfs/dbraw/zinc/15/44/38/170154438.db2.gz	OODBLQPWXIRSTF-JTQLQIEISA-N	-1	1	288.376	2.618	50	30		CFEAMM
C#CCN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O	ZINC000015012740	170653420	/nfs/dbraw/zinc/65/34/20/170653420.db2.gz	KKKXMBVDCOTEPP-XFFZJAGNSA-N	-1	1	293.731	2.715	50	30		CFEAMM
CSc1nc(N)c(C#N)c(-c2ccc([O-])cc2)c1C#N	ZINC000021630125	260121938	/nfs/dbraw/zinc/12/19/38/260121938.db2.gz	QIESNCHLZIRXAB-UHFFFAOYSA-N	-1	1	282.328	2.502	50	30		CFEAMM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccccn1)O2	ZINC000045918859	280635934	/nfs/dbraw/zinc/63/59/34/280635934.db2.gz	HIQNITIKNNMHQY-QPEQYQDCSA-N	-1	1	253.257	2.712	50	30		CFEAMM
CCO[N-]C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000049346401	520389247	/nfs/dbraw/zinc/38/92/47/520389247.db2.gz	MGXXPTMKPPUDKM-NSHDSACASA-N	-1	1	282.727	2.601	50	30		CFEAMM
C#CC[C@H](CC)NC(=O)c1ccc(Br)c([O-])c1	ZINC000095978846	185053072	/nfs/dbraw/zinc/05/30/72/185053072.db2.gz	FNMYGEDUPFFDBW-JTQLQIEISA-N	-1	1	296.164	2.686	50	30		CFEAMM
Cc1c(/C=C\C(=O)c2ccc([O-])cc2)cc(C#N)n1C	ZINC000096766237	185111920	/nfs/dbraw/zinc/11/19/20/185111920.db2.gz	PSEJFIFETBIJDK-YVMONPNESA-N	-1	1	266.300	2.807	50	30		CFEAMM
C=CCOc1ccccc1C=C1SC(=S)[N-]C1=O	ZINC000002688968	371746045	/nfs/dbraw/zinc/74/60/45/371746045.db2.gz	YKKMFKQWHIAXEG-DHZHZOJOSA-N	-1	1	277.370	2.740	50	30		CFEAMM
C=CCn1c(SCCCC)nc([O-])c(CC)c1=O	ZINC000016513163	372108933	/nfs/dbraw/zinc/10/89/33/372108933.db2.gz	PFGMNWYUKVOHAS-UHFFFAOYSA-N	-1	1	268.382	2.590	50	30		CFEAMM
CCCc1cc(=O)[n-]c(SCc2ccccc2C#N)n1	ZINC000014638095	372072305	/nfs/dbraw/zinc/07/23/05/372072305.db2.gz	IDRVLDABGDAYAN-UHFFFAOYSA-N	-1	1	285.372	2.886	50	30		CFEAMM
COc1ccc(NC(=O)C(=O)C=C([O-])c2ccccc2)cc1	ZINC000100223203	375615698	/nfs/dbraw/zinc/61/56/98/375615698.db2.gz	CPGYXQXLKIJUIX-WJDWOHSUSA-N	-1	1	297.310	2.959	50	30		CFEAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccccc2)cc1	ZINC000100223203	375615700	/nfs/dbraw/zinc/61/57/00/375615700.db2.gz	CPGYXQXLKIJUIX-WJDWOHSUSA-N	-1	1	297.310	2.959	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc2c(c1)OCCO2	ZINC000034568731	285015940	/nfs/dbraw/zinc/01/59/40/285015940.db2.gz	ZGHCVSBYCRXULK-PXNMLYILSA-N	-1	1	296.278	2.780	50	30		CFEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CC=CCC1	ZINC000036396953	393523732	/nfs/dbraw/zinc/52/37/32/393523732.db2.gz	SVWYLUSZEOJQBO-ZCFIWIBFSA-N	-1	1	260.219	2.768	50	30		CFEAMM
C=CCN(CC=C)C(=O)c1c([O-])cnc2ccccc21	ZINC000193122342	393643374	/nfs/dbraw/zinc/64/33/74/393643374.db2.gz	GMJWZPGQGGPHIA-UHFFFAOYSA-N	-1	1	268.316	2.755	50	30		CFEAMM
CC(N=Nc1ccccc1C(=O)[O-])c1ccc(O)cc1O	ZINC000004715997	170004411	/nfs/dbraw/zinc/00/44/11/170004411.db2.gz	MEDHVLZKWZIAFB-CXUHLZMHSA-N	-1	1	286.287	2.632	50	30		CFEAMM
CCN(CC)c1ccc2cc(/C(C)=N/[O-])c(=O)oc2c1	ZINC000005322096	170085671	/nfs/dbraw/zinc/08/56/71/170085671.db2.gz	SIYIBERFBCXCDF-MHWRWJLKSA-N	-1	1	274.320	2.837	50	30		CFEAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C	ZINC000007053062	170264569	/nfs/dbraw/zinc/26/45/69/170264569.db2.gz	LWXVCEPZWVTINX-UHFFFAOYSA-N	-1	1	286.356	2.976	50	30		CFEAMM
N#Cc1ccc(CSc2nc3c(c(=O)[n-]2)CCCC3)cc1	ZINC000008830976	170357038	/nfs/dbraw/zinc/35/70/38/170357038.db2.gz	GGLKEJUACHWTQN-UHFFFAOYSA-N	-1	1	297.383	2.813	50	30		CFEAMM
C#Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000022475057	171388859	/nfs/dbraw/zinc/38/88/59/171388859.db2.gz	FFMFFOHLYJRZDH-UHFFFAOYSA-N	-1	1	275.304	2.608	50	30		CFEAMM
O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3[nH]2)ccc1[O-]	ZINC000035391966	172177317	/nfs/dbraw/zinc/17/73/17/172177317.db2.gz	ZWIOFXDTZIYXGN-OVCLIPMQSA-N	-1	1	297.274	2.623	50	30		CFEAMM
CCCCCCCNC=C1SC(=S)[N-]C1=O	ZINC000109837577	539439626	/nfs/dbraw/zinc/43/96/26/539439626.db2.gz	JKUWJYLEHLZLIH-HJWRWDBZSA-N	-1	1	258.412	2.536	50	30		CFEAMM
Cc1ccc(C(=O)C=C([O-])C(=O)Nc2nccs2)cc1	ZINC000100838691	347714103	/nfs/dbraw/zinc/71/41/03/347714103.db2.gz	UDYPYPBKIULXMV-WQLSENKSSA-N	-1	1	288.328	2.715	50	30		CFEAMM
Cc1cc(NC(=O)C([O-])=CC(=O)c2ccc(C)cc2)no1	ZINC000108423833	186216718	/nfs/dbraw/zinc/21/67/18/186216718.db2.gz	HAOXFAOFCDGUSK-JYRVWZFOSA-N	-1	1	286.287	2.555	50	30		CFEAMM
C=CCN1C(=O)C(=Cc2ccc(C)s2)C(=O)[N-]C1=S	ZINC000000457673	371620110	/nfs/dbraw/zinc/62/01/10/371620110.db2.gz	MWBFGFYGKHRXDW-JXMROGBWSA-N	-1	1	292.385	2.710	50	30		CFEAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1	ZINC000002635692	371742951	/nfs/dbraw/zinc/74/29/51/371742951.db2.gz	VEWOLQGBXUAYNV-UHFFFAOYSA-N	-1	1	286.356	2.976	50	30		CFEAMM
O=C(/C=C/c1ccc(O)cc1)c1cc(O)ccc1[O-]	ZINC000004252715	371845498	/nfs/dbraw/zinc/84/54/98/371845498.db2.gz	NMANELLSWUVZNL-XVNBXDOJSA-N	-1	1	256.257	2.700	50	30	biogenic,in-vitro	CFEAMM
C=CCc1c(CCC)nc(SCC2CC2)[n-]c1=O	ZINC000018090052	372139309	/nfs/dbraw/zinc/13/93/09/372139309.db2.gz	HFFWRPZOTAMABO-UHFFFAOYSA-N	-1	1	264.394	2.953	50	30		CFEAMM
O=C(Cc1ccccc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026254507	372316626	/nfs/dbraw/zinc/31/66/26/372316626.db2.gz	QHDRIQIGNVARAP-UHFFFAOYSA-N	-1	1	270.214	2.654	50	30		CFEAMM
N#CCCCS(=O)(=O)[N-]c1ccccc1OCC1CC1	ZINC000072293464	374241827	/nfs/dbraw/zinc/24/18/27/374241827.db2.gz	YSIOAHHRRNAACJ-UHFFFAOYSA-N	-1	1	294.376	2.521	50	30		CFEAMM
Cn1ncc2c1CC/C(=C\c1ccc([O-])c(Cl)c1)C2=O	ZINC000049372062	412939830	/nfs/dbraw/zinc/93/98/30/412939830.db2.gz	AJQNRLUGRRBCQT-UXBLZVDNSA-N	-1	1	288.734	2.992	50	30		CFEAMM
c1ccc(N=NC(N=Nc2nn[n-]n2)c2ccccc2)cc1	ZINC000252678026	383427094	/nfs/dbraw/zinc/42/70/94/383427094.db2.gz	CMGSWPMEQNAYSM-UHFFFAOYSA-N	-1	1	292.306	2.757	50	30		CFEAMM
[O-]N=CC(=NN=CN1CCCCC1)c1ccc(F)cc1	ZINC000252620988	383422080	/nfs/dbraw/zinc/42/20/80/383422080.db2.gz	MQJBJLZQNUUQDB-UHFFFAOYSA-N	-1	1	276.315	2.504	50	30		CFEAMM
O=[N+]([O-])c1ccc(/C(=N/[O-])Nc2ccccc2)cc1	ZINC000004955377	170045111	/nfs/dbraw/zinc/04/51/11/170045111.db2.gz	WQCNJFOUQZHSOW-UHFFFAOYSA-N	-1	1	257.249	2.843	50	30		CFEAMM
C=CCn1c([C@@H](C)NC(=O)c2ccccc2)n[n-]c1=S	ZINC000005954530	170161951	/nfs/dbraw/zinc/16/19/51/170161951.db2.gz	OODBLQPWXIRSTF-SNVBAGLBSA-N	-1	1	288.376	2.618	50	30		CFEAMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000007052660	170264504	/nfs/dbraw/zinc/26/45/04/170264504.db2.gz	CANHFUNZBKEBQO-UHFFFAOYSA-N	-1	1	272.329	2.668	50	30		CFEAMM
O=C(C=C([O-])c1ccc2c(c1)OCO2)C(F)(F)F	ZINC000827598162	779040525	/nfs/dbraw/zinc/04/05/25/779040525.db2.gz	ABHHLCJTZGOUII-ONNFQVAWSA-N	-1	1	260.167	2.602	50	30		CFEAMM
C#CC[C@@H](CC)NC(=O)c1ccc(Br)c([O-])c1	ZINC000095978847	185052529	/nfs/dbraw/zinc/05/25/29/185052529.db2.gz	FNMYGEDUPFFDBW-SNVBAGLBSA-N	-1	1	296.164	2.686	50	30		CFEAMM
C=CCn1c(-c2ccc(NC(C)=O)cc2)n[n-]c1=S	ZINC000075283622	347064297	/nfs/dbraw/zinc/06/42/97/347064297.db2.gz	FKAOCPZOEHOCDI-UHFFFAOYSA-N	-1	1	274.349	2.752	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1ccc(O)cc1	ZINC000000897630	371655047	/nfs/dbraw/zinc/65/50/47/371655047.db2.gz	KEZLDSPIRVZOKZ-VGOFMYFVSA-N	-1	1	254.241	2.714	50	30	in-vitro	CFEAMM
C=CCc1cccc(C=C2SC(=S)[N-]C2=O)c1O	ZINC000003159084	371777359	/nfs/dbraw/zinc/77/73/59/371777359.db2.gz	CKTLSDZDNUXODW-YFHOEESVSA-N	-1	1	277.370	2.610	50	30		CFEAMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C	ZINC000003348270	371793348	/nfs/dbraw/zinc/79/33/48/371793348.db2.gz	WABPJBZQXXIGSA-UHFFFAOYSA-N	-1	1	286.356	2.976	50	30		CFEAMM
COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1O	ZINC000004252639	371843629	/nfs/dbraw/zinc/84/36/29/371843629.db2.gz	WKFRQLXEGGKRPP-GORDUTHDSA-N	-1	1	286.283	2.708	50	30		CFEAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000022841670	372246822	/nfs/dbraw/zinc/24/68/22/372246822.db2.gz	DSJDIFBPKAEXHC-UHFFFAOYSA-N	-1	1	290.319	2.807	50	30		CFEAMM
N#CCOc1ccccc1/C=C1\Oc2cc([O-])ccc2C1=O	ZINC000048290753	412902017	/nfs/dbraw/zinc/90/20/17/412902017.db2.gz	ZXCUVNJTMALGEH-SXGWCWSVSA-N	-1	1	293.278	2.911	50	30		CFEAMM
COc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1	ZINC000004737525	170007778	/nfs/dbraw/zinc/00/77/78/170007778.db2.gz	WUFSCZGAQIOILP-MHWRWJLKSA-N	-1	1	270.288	2.839	50	30		CFEAMM
C=CCn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1	ZINC000006293530	170189139	/nfs/dbraw/zinc/18/91/39/170189139.db2.gz	UXWIWMSECBUGBZ-NSHDSACASA-N	-1	1	275.333	2.639	50	30		CFEAMM
Cn1c(=O)c(C=Nc2ccccc2)c([O-])c2ccccc21	ZINC000100294389	277217260	/nfs/dbraw/zinc/21/72/60/277217260.db2.gz	COXZQGYYWPNXKI-KAMYIIQDSA-N	-1	1	278.311	2.842	50	30		CFEAMM
[O-]/N=C1/C[C@@](O)(C(F)(F)F)Oc2ccc(Cl)cc21	ZINC000100450738	617944854	/nfs/dbraw/zinc/94/48/54/617944854.db2.gz	XCZYMAYEBAWIIK-KLLFSAEGSA-N	-1	1	281.617	2.552	50	30		CFEAMM
CCCCCCCC(=O)c1c([O-])cc(C)oc1=O	ZINC000002495935	618171807	/nfs/dbraw/zinc/17/18/07/618171807.db2.gz	PDDXPXTUPUYVPJ-CYBMUJFWSA-N	-1	1	252.310	2.562	50	30		CFEAMM
Cc1ccc(C)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000105639730	186066868	/nfs/dbraw/zinc/06/68/68/186066868.db2.gz	RUEBLLMGVZUQIU-WLMCBFPDSA-N	-1	1	284.311	2.532	50	30		CFEAMM
COC(=O)c1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1	ZINC000000490856	371630187	/nfs/dbraw/zinc/63/01/87/371630187.db2.gz	WKCCLTCDMHZBDV-OVCLIPMQSA-N	-1	1	296.278	2.795	50	30		CFEAMM
CCCCCCCCn1ncc(=O)c(Cl)c1[O-]	ZINC000002865216	371760974	/nfs/dbraw/zinc/76/09/74/371760974.db2.gz	UIBCJJGPGDNUNK-UHFFFAOYSA-N	-1	1	258.749	2.963	50	30		CFEAMM
CCCCCCCCn1ncc([O-])c(Cl)c1=O	ZINC000002865216	371760980	/nfs/dbraw/zinc/76/09/80/371760980.db2.gz	UIBCJJGPGDNUNK-UHFFFAOYSA-N	-1	1	258.749	2.963	50	30		CFEAMM
CN(/C=C1\Oc2cc([O-])ccc2C1=O)Cc1ccccc1	ZINC000012442686	371964797	/nfs/dbraw/zinc/96/47/97/371964797.db2.gz	GQTOUFNCASIXMZ-WJDWOHSUSA-N	-1	1	281.311	2.941	50	30		CFEAMM
C=CCOc1ccccc1C=C1SC(=S)[N-]C1=O	ZINC000012363636	371955889	/nfs/dbraw/zinc/95/58/89/371955889.db2.gz	YKKMFKQWHIAXEG-FLIBITNWSA-N	-1	1	277.370	2.740	50	30		CFEAMM
Cc1ccc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000036394837	372578621	/nfs/dbraw/zinc/57/86/21/372578621.db2.gz	YMGVXUPVDHUPEG-UHFFFAOYSA-N	-1	1	284.241	2.963	50	30		CFEAMM
[O-]/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1	ZINC000100467534	375623146	/nfs/dbraw/zinc/62/31/46/375623146.db2.gz	YMHSLWUPHSLIJT-NBVRZTHBSA-N	-1	1	251.289	2.984	50	30		CFEAMM
[O-]N=C(Cc1nc2ccccc2[nH]1)c1ccccc1	ZINC000100467534	375623153	/nfs/dbraw/zinc/62/31/53/375623153.db2.gz	YMHSLWUPHSLIJT-NBVRZTHBSA-N	-1	1	251.289	2.984	50	30		CFEAMM
CC(=Nc1ccccn1)c1c([O-])c2ccccc2oc1=O	ZINC000103447422	375747927	/nfs/dbraw/zinc/74/79/27/375747927.db2.gz	BUICQSTXYUZRMD-GXDHUFHOSA-N	-1	1	280.283	2.569	50	30		CFEAMM
C=CCn1c([C@@H](C)NC(=O)c2cccs2)n[n-]c1=S	ZINC000006556235	170212816	/nfs/dbraw/zinc/21/28/16/170212816.db2.gz	NSEYUDBAPWGUMK-MRVPVSSYSA-N	-1	1	294.405	2.679	50	30		CFEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1	ZINC000007057262	170265212	/nfs/dbraw/zinc/26/52/12/170265212.db2.gz	YSYFJUJDKFXLFP-UHFFFAOYSA-N	-1	1	298.367	2.848	50	30		CFEAMM
C=CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1	ZINC000009045091	170362152	/nfs/dbraw/zinc/36/21/52/170362152.db2.gz	IGQPVLSKYIZBMV-DHZHZOJOSA-N	-1	1	261.302	2.575	50	30		CFEAMM
CCCc1[n-]c(=O)c(C#N)c2c1CSC(C)(C)C2	ZINC000002207963	276054258	/nfs/dbraw/zinc/05/42/58/276054258.db2.gz	KKXJNXSLUMGQNP-UHFFFAOYSA-N	-1	1	262.378	2.767	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(C)cc2C)c(=O)o1	ZINC000102500281	301161106	/nfs/dbraw/zinc/16/11/06/301161106.db2.gz	IHSYLMREHRFCQP-FUTAKVPZSA-N	-1	1	298.338	2.840	50	30		CFEAMM
CCCCCCCC(=O)c1c([O-])cc(C)oc1=O	ZINC000102990878	618672642	/nfs/dbraw/zinc/67/26/42/618672642.db2.gz	PDDXPXTUPUYVPJ-ZDUSSCGKSA-N	-1	1	252.310	2.562	50	30		CFEAMM
Cc1cc(=O)[n-]c(NN=Cc2ccccc2OC(F)F)n1	ZINC000606346885	351262619	/nfs/dbraw/zinc/26/26/19/351262619.db2.gz	SQJJUUKBMVFWLL-UHFFFAOYSA-N	-1	1	294.261	2.538	50	30		CFEAMM
C=CCn1c([C@H](CC)CC(C)(C)O)n[n-]c1=S	ZINC000001256227	371664841	/nfs/dbraw/zinc/66/48/41/371664841.db2.gz	XTNUQFPJPWKBNJ-SECBINFHSA-N	-1	1	255.387	2.781	50	30		CFEAMM
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc([O-])cc1)OCO2	ZINC000018275940	372145413	/nfs/dbraw/zinc/14/54/13/372145413.db2.gz	QWCNWHXWJSPLEG-VIZOYTHASA-N	-1	1	286.243	2.780	50	30		CFEAMM
COc1cc(/C(C)=N\[O-])ccc1OCC(F)(F)F	ZINC000019441261	372164251	/nfs/dbraw/zinc/16/42/51/372164251.db2.gz	IWOCXHLWPPMDCS-CHHVJCJISA-N	-1	1	263.215	2.835	50	30		CFEAMM
N#CCCN(CCC#N)C(=O)c1ccc2ccccc2c1[O-]	ZINC000173064826	379691584	/nfs/dbraw/zinc/69/15/84/379691584.db2.gz	JDCJQXHHMDYPCC-UHFFFAOYSA-N	-1	1	293.326	2.815	50	30		CFEAMM
C=CCn1c(Cc2ccc(OC)cc2)n[n-]c1=S	ZINC000005910830	170154162	/nfs/dbraw/zinc/15/41/62/170154162.db2.gz	JPOUKOSETNCWJH-UHFFFAOYSA-N	-1	1	261.350	2.726	50	30		CFEAMM
N#CCOc1ccccc1/C=C1/Oc2cc([O-])ccc2C1=O	ZINC000022016530	171349686	/nfs/dbraw/zinc/34/96/86/171349686.db2.gz	ZXCUVNJTMALGEH-CXUHLZMHSA-N	-1	1	293.278	2.911	50	30		CFEAMM
COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2)cc1	ZINC000100339733	617782388	/nfs/dbraw/zinc/78/23/88/617782388.db2.gz	UBTHBUQWHDBSCI-LFIBNONCSA-N	-1	1	297.310	2.959	50	30		CFEAMM
COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccccc2)cc1	ZINC000100339733	617782390	/nfs/dbraw/zinc/78/23/90/617782390.db2.gz	UBTHBUQWHDBSCI-LFIBNONCSA-N	-1	1	297.310	2.959	50	30		CFEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(C)c1	ZINC000105639716	186067146	/nfs/dbraw/zinc/06/71/46/186067146.db2.gz	KOVDDKZXZITNQO-WLMCBFPDSA-N	-1	1	284.311	2.532	50	30		CFEAMM
COC(=O)c1c[n-]c(S[C@H](C)c2ccc(C#N)cc2)n1	ZINC000193549384	189645015	/nfs/dbraw/zinc/64/50/15/189645015.db2.gz	ZWXVFCRAOOSCNP-SECBINFHSA-N	-1	1	287.344	2.921	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(Cl)c2)c(=O)o1	ZINC000003095545	371772377	/nfs/dbraw/zinc/77/23/77/371772377.db2.gz	ZJPFWLZDCFWUQD-VBROQKIQSA-N	-1	1	290.702	2.568	50	30		CFEAMM
CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000003398181	371797224	/nfs/dbraw/zinc/79/72/24/371797224.db2.gz	QVUDCOWXRDIZNH-UHFFFAOYSA-N	-1	1	286.356	2.921	50	30		CFEAMM
CC1(C)CCCN(C(=O)c2cc(F)ccc2[O-])[C@H]1C#N	ZINC000277617965	384354647	/nfs/dbraw/zinc/35/46/47/384354647.db2.gz	VYQAKTPYRPHSQJ-ZDUSSCGKSA-N	-1	1	276.311	2.686	50	30		CFEAMM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccncc1)O2	ZINC000006662177	393464236	/nfs/dbraw/zinc/46/42/36/393464236.db2.gz	FUHZCSXZVIACBA-QPEQYQDCSA-N	-1	1	253.257	2.712	50	30		CFEAMM
Cc1n[n-]c(=S)n1N=Cc1cccc(Cl)c1	ZINC000005730843	170134410	/nfs/dbraw/zinc/13/44/10/170134410.db2.gz	HZPJNCFRFKPROB-WUXMJOGZSA-N	-1	1	252.730	2.785	50	30		CFEAMM
S=c1[n-]nc(NN=Cc2cccc(Br)c2)[nH]1	ZINC000006330567	170192204	/nfs/dbraw/zinc/19/22/04/170192204.db2.gz	RDXFVLSHWKMULQ-VZUCSPMQSA-N	-1	1	298.169	2.676	50	30		CFEAMM
C=CCn1c([C@H](C)NC(=O)c2cccs2)n[n-]c1=S	ZINC000006556174	170212812	/nfs/dbraw/zinc/21/28/12/170212812.db2.gz	NSEYUDBAPWGUMK-QMMMGPOBSA-N	-1	1	294.405	2.679	50	30		CFEAMM
c1ccc2c(c1)cc1ccccc1c2CN=Nc1nn[n-]n1	ZINC000239046633	275389337	/nfs/dbraw/zinc/38/93/37/275389337.db2.gz	FVBJYULTVHHCDR-UHFFFAOYSA-N	-1	1	288.314	2.952	50	30		CFEAMM
c1ccc2c(c1)cc1ccccc1c2CN=Nc1nn[n-]n1	ZINC000004181238	275389374	/nfs/dbraw/zinc/38/93/74/275389374.db2.gz	FVBJYULTVHHCDR-LICLKQGHSA-N	-1	1	288.314	2.952	50	30		CFEAMM
CCc1ccc(-c2[nH]c(=S)[n-]c(=O)c2C#N)cc1	ZINC000008730729	276686121	/nfs/dbraw/zinc/68/61/21/276686121.db2.gz	AOROGSGMECMRSH-UHFFFAOYSA-N	-1	1	257.318	2.946	50	30		CFEAMM
N#Cc1c(=O)[n-]ccc1-c1cccc(C(F)(F)F)c1	ZINC000004025016	303174168	/nfs/dbraw/zinc/17/41/68/303174168.db2.gz	KKXQQWLUTICLFC-UHFFFAOYSA-N	-1	1	264.206	2.932	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1ccccc1O	ZINC000000935987	371655065	/nfs/dbraw/zinc/65/50/65/371655065.db2.gz	WEEYRFRNWMFAKW-VGOFMYFVSA-N	-1	1	254.241	2.714	50	30		CFEAMM
Cc1ccc(C(=O)C=C(Nc2ccccc2N)C(=O)[O-])cc1	ZINC000002304009	371722165	/nfs/dbraw/zinc/72/21/65/371722165.db2.gz	PNZHGWLRXBKWPP-GDNBJRDFSA-N	-1	1	296.326	2.841	50	30		CFEAMM
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccccc1[O-])OCO2	ZINC000003080640	371771095	/nfs/dbraw/zinc/77/10/95/371771095.db2.gz	SFAYXCJEONLIHI-VIZOYTHASA-N	-1	1	286.243	2.780	50	30		CFEAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000016101172	372100125	/nfs/dbraw/zinc/10/01/25/372100125.db2.gz	PCPJCCGFOTUOMJ-UHFFFAOYSA-N	-1	1	272.329	2.668	50	30		CFEAMM
[O-]/N=C/c1ccccc1OCc1cn2ccccc2n1	ZINC000100611063	375625064	/nfs/dbraw/zinc/62/50/64/375625064.db2.gz	AOYSLDHTDNNBDE-CXUHLZMHSA-N	-1	1	267.288	2.721	50	30		CFEAMM
COc1ccccc1NC(=O)C(=O)C=C([O-])c1ccccc1	ZINC000100763978	375628762	/nfs/dbraw/zinc/62/87/62/375628762.db2.gz	RPYFKUNJJXTMKJ-PTNGSMBKSA-N	-1	1	297.310	2.959	50	30		CFEAMM
COc1ccccc1NC(=O)C([O-])=CC(=O)c1ccccc1	ZINC000100763978	375628768	/nfs/dbraw/zinc/62/87/68/375628768.db2.gz	RPYFKUNJJXTMKJ-PTNGSMBKSA-N	-1	1	297.310	2.959	50	30		CFEAMM
CCOc1ccc(Cl)cc1C=Nn1cn[n-]c1=S	ZINC000252638214	383423344	/nfs/dbraw/zinc/42/33/44/383423344.db2.gz	YAHRHUIFICGIAA-UHFFFAOYSA-N	-1	1	282.756	2.875	50	30		CFEAMM
CCCCCCCc1c(C)nc(N2CCOCC2)[n-]c1=O	ZINC000008828733	260033779	/nfs/dbraw/zinc/03/37/79/260033779.db2.gz	MIEXTCFOSLOJFZ-UHFFFAOYSA-N	-1	1	293.411	2.840	50	30		CFEAMM
Cc1cc(C)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000102500623	397594240	/nfs/dbraw/zinc/59/42/40/397594240.db2.gz	RNMFNJCMYYZCPP-APHBUQMISA-N	-1	1	284.311	2.532	50	30		CFEAMM
COc1cc(C=Nn2cn[n-]c2=S)ccc1OC(C)C	ZINC000005686002	170128979	/nfs/dbraw/zinc/12/89/79/170128979.db2.gz	ZMZWIEQHLRUJHF-VIZOYTHASA-N	-1	1	292.364	2.619	50	30		CFEAMM
CCOc1cc(/C=N/[O-])c(Br)cc1OC	ZINC000005953384	170161552	/nfs/dbraw/zinc/16/15/52/170161552.db2.gz	MQGAYKBPOKITJK-WUXMJOGZSA-N	-1	1	274.114	2.665	50	30		CFEAMM
COC(=O)c1cccc2c1-c1ccccc1/C2=N/[O-]	ZINC000100281717	277164022	/nfs/dbraw/zinc/16/40/22/277164022.db2.gz	NGVLXRBIJYFIFM-PEZBUJJGSA-N	-1	1	253.257	2.680	50	30		CFEAMM
C=CCn1c(CC[C@H](O)COCCCCC)n[n-]c1=S	ZINC000005825012	519178387	/nfs/dbraw/zinc/17/83/87/519178387.db2.gz	YNJYJFXTTAVMHE-LBPRGKRZSA-N	-1	1	299.440	2.627	50	30		CFEAMM
Cc1[n-]c(=O)c(C#N)c(C)c1CSCc1ccco1	ZINC000000032666	371512495	/nfs/dbraw/zinc/51/24/95/371512495.db2.gz	LRICFIYSTRGVRM-UHFFFAOYSA-N	-1	1	274.345	2.890	50	30		CFEAMM
C=CCn1c(=S)[n-]nc1-c1ccc(N(C)C)cc1	ZINC000002526675	371733717	/nfs/dbraw/zinc/73/37/17/371733717.db2.gz	STLICZRBJOVEPW-UHFFFAOYSA-N	-1	1	260.366	2.860	50	30		CFEAMM
CCn1cc(/C=C/C(=O)c2ccc([O-])cc2)c(C)n1	ZINC000004349830	371850596	/nfs/dbraw/zinc/85/05/96/371850596.db2.gz	SFCUSJOYYNAHAS-RMKNXTFCSA-N	-1	1	256.305	2.813	50	30	biogenic,in-vitro	CFEAMM
CCOC(=O)C(C#N)=N[N-]c1cc(Cl)ccc1Cl	ZINC000016682064	372117714	/nfs/dbraw/zinc/11/77/14/372117714.db2.gz	PIWHYKVIOPXAML-YBEGLDIGSA-N	-1	1	286.118	2.848	50	30		CFEAMM
Cc1nc(C)c(C([O-])=Cc2nc3ccccc3[nH]c2=O)s1	ZINC000017885100	372136174	/nfs/dbraw/zinc/13/61/74/372136174.db2.gz	JQHSZCXVPWSBSU-KPKJPENVSA-N	-1	1	299.355	2.891	50	30		CFEAMM
Cn1c(C(C#N)=C([O-])c2ccoc2)nnc1-c1ccccc1	ZINC000058179706	373631288	/nfs/dbraw/zinc/63/12/88/373631288.db2.gz	KEYHDAPIYBNFOS-ZDUSSCGKSA-N	-1	1	292.298	2.565	50	30		CFEAMM
Cc1cccc2c1ccc1c2C(=O)C([O-])=C([C@H](C)CO)C1=O	ZINC000100230821	375617148	/nfs/dbraw/zinc/61/71/48/375617148.db2.gz	MHCXKYJBQMJPRJ-SNVBAGLBSA-N	-1	1	296.322	2.968	50	30	biogenic,in-vitro	CFEAMM
Cc1nn(C)cc1C(=O)/C=C\c1ccc([O-])c(Cl)c1	ZINC000096313709	256773502	/nfs/dbraw/zinc/77/35/02/256773502.db2.gz	MUXSOAOXZHQWEM-HYXAFXHYSA-N	-1	1	276.723	2.984	50	30		CFEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1	ZINC000022408422	171387059	/nfs/dbraw/zinc/38/70/59/171387059.db2.gz	YTENLOAVNPCQMS-UHFFFAOYSA-N	-1	1	299.351	2.671	50	30		CFEAMM
Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)on1	ZINC000011693204	280375908	/nfs/dbraw/zinc/37/59/08/280375908.db2.gz	OUZSFUTYZKCNQC-UHFFFAOYSA-N	-1	1	273.317	2.657	50	30		CFEAMM
C=CCn1c(CC[C@@H](O)COCCCCC)n[n-]c1=S	ZINC000005825011	519178166	/nfs/dbraw/zinc/17/81/66/519178166.db2.gz	YNJYJFXTTAVMHE-GFCCVEGCSA-N	-1	1	299.440	2.627	50	30		CFEAMM
Cc1ccc(C)c(C=NNc2nc(C)cc(=O)[n-]2)c1	ZINC000606346861	351262591	/nfs/dbraw/zinc/26/25/91/351262591.db2.gz	ITVRDAPFLZMAIK-UHFFFAOYSA-N	-1	1	256.309	2.553	50	30		CFEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1	ZINC000000001514	371508139	/nfs/dbraw/zinc/50/81/39/371508139.db2.gz	RIGBPMDIGYBTBJ-UHFFFAOYSA-N	-1	1	296.392	2.520	50	30	in-man	CFEAMM
Cc1ccc(S(=O)(=O)N=C([O-])NC2CCCCC2)cc1	ZINC000000001514	371508142	/nfs/dbraw/zinc/50/81/42/371508142.db2.gz	RIGBPMDIGYBTBJ-UHFFFAOYSA-N	-1	1	296.392	2.520	50	30	in-man	CFEAMM
COC(=O)c1ccc(COc2ccccc2/C=N/[O-])cc1	ZINC000000258644	371571862	/nfs/dbraw/zinc/57/18/62/371571862.db2.gz	RGNRJAZBANWNAV-LICLKQGHSA-N	-1	1	285.299	2.860	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000000536898	371637290	/nfs/dbraw/zinc/63/72/90/371637290.db2.gz	SUTFIKFMHUZTQQ-AUWJEWJLSA-N	-1	1	283.239	2.917	50	30		CFEAMM
COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1O	ZINC000014728999	372072672	/nfs/dbraw/zinc/07/26/72/372072672.db2.gz	UHTPCVRQVSJRLW-CHHVJCJISA-N	-1	1	284.267	2.723	50	30		CFEAMM
O=[N+]([O-])c1cccc(/C(=N/[O-])Nc2ccccc2)c1	ZINC000017951748	372138079	/nfs/dbraw/zinc/13/80/79/372138079.db2.gz	SYFGRNYJBOXRJN-UHFFFAOYSA-N	-1	1	257.249	2.843	50	30		CFEAMM
CC(=O)Nc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1	ZINC000028621497	372367640	/nfs/dbraw/zinc/36/76/40/372367640.db2.gz	QFHLXDVKXCRKHZ-PXNMLYILSA-N	-1	1	295.294	2.967	50	30		CFEAMM
COc1ccc(NN=C(/C=N/[O-])C(=O)c2ccccc2)cc1	ZINC000100364237	375619821	/nfs/dbraw/zinc/61/98/21/375619821.db2.gz	PZAMJUMJUNTHSW-DEBUNUGRSA-N	-1	1	297.314	2.806	50	30		CFEAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=NO)c1ccccc1	ZINC000100946277	375631003	/nfs/dbraw/zinc/63/10/03/375631003.db2.gz	MVRJKCVBRDYVOI-NXSRCCIVSA-N	-1	1	293.326	2.904	50	30		CFEAMM
C=CCCS(=O)(=O)[N-]c1cccc(C)c1C(C)=O	ZINC000129289317	377409680	/nfs/dbraw/zinc/40/96/80/377409680.db2.gz	CJELMOUDIQNCCF-UHFFFAOYSA-N	-1	1	267.350	2.515	50	30		CFEAMM
[O-]C(=Cc1c(Cl)cccc1Cl)NC1=NCCS1	ZINC000000344152	169612316	/nfs/dbraw/zinc/61/23/16/169612316.db2.gz	QQFBIKDVDZYLQW-UHFFFAOYSA-N	-1	1	289.187	2.755	50	30		CFEAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=NO)c1ccccc1	ZINC000005536192	170110397	/nfs/dbraw/zinc/11/03/97/170110397.db2.gz	MVRJKCVBRDYVOI-ZBQKJFDRSA-N	-1	1	293.326	2.904	50	30		CFEAMM
CC(=Nn1cn[n-]c1=S)c1ccc(Br)cc1	ZINC000006185465	170181084	/nfs/dbraw/zinc/18/10/84/170181084.db2.gz	UTZWMQGVKDNHFR-VGOFMYFVSA-N	-1	1	297.181	2.975	50	30		CFEAMM
COc1cc(C#N)cc(NC(=O)c2ccccc2)c1[O-]	ZINC000085412493	179057632	/nfs/dbraw/zinc/05/76/32/179057632.db2.gz	ROEPQNDRTJWYIK-UHFFFAOYSA-N	-1	1	268.272	2.525	50	30		CFEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(C)c1	ZINC000105639710	186067182	/nfs/dbraw/zinc/06/71/82/186067182.db2.gz	KOVDDKZXZITNQO-MWWKQMNYSA-N	-1	1	284.311	2.532	50	30		CFEAMM
O=C1c2ccccc2N[C@@H](c2ccccc2F)N1[O-]	ZINC000000374817	371598569	/nfs/dbraw/zinc/59/85/69/371598569.db2.gz	CIEPWGHZSVLFOH-CYBMUJFWSA-N	-1	1	258.252	2.781	50	30		CFEAMM
C=CCn1c(Cc2nc3ccccc3[nH]2)n[n-]c1=S	ZINC000002480330	371727676	/nfs/dbraw/zinc/72/76/76/371727676.db2.gz	RPGMYBQMVSVJFS-UHFFFAOYSA-N	-1	1	271.349	2.594	50	30		CFEAMM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1F	ZINC000012785391	371986874	/nfs/dbraw/zinc/98/68/74/371986874.db2.gz	XHNSTTXUTAJABD-UHFFFAOYSA-N	-1	1	294.282	2.637	50	30		CFEAMM
C#Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1	ZINC000041636934	372854771	/nfs/dbraw/zinc/85/47/71/372854771.db2.gz	VGDPAOQTUYHZCH-UHFFFAOYSA-N	-1	1	271.341	2.777	50	30		CFEAMM
O=C(C=C([O-])C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000100745904	375627339	/nfs/dbraw/zinc/62/73/39/375627339.db2.gz	WRARGKXNXDIYCL-UITAMQMPSA-N	-1	1	261.155	2.782	50	30		CFEAMM
COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c(O)c1	ZINC000096341526	256792268	/nfs/dbraw/zinc/79/22/68/256792268.db2.gz	XDMXZBNIOIWILE-RUDMXATFSA-N	-1	1	298.294	2.995	50	30		CFEAMM
C#CCN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O	ZINC000004675704	169997124	/nfs/dbraw/zinc/99/71/24/169997124.db2.gz	KKKXMBVDCOTEPP-YRNVUSSQSA-N	-1	1	293.731	2.715	50	30		CFEAMM
C=CCn1c(CC(=O)Nc2ccccc2C)n[n-]c1=S	ZINC000004739113	170008529	/nfs/dbraw/zinc/00/85/29/170008529.db2.gz	YKEMNFWFHYQVBO-UHFFFAOYSA-N	-1	1	288.376	2.616	50	30		CFEAMM
Cc1ccc(C)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000105639725	186066636	/nfs/dbraw/zinc/06/66/36/186066636.db2.gz	RUEBLLMGVZUQIU-MWWKQMNYSA-N	-1	1	284.311	2.532	50	30		CFEAMM
O=[N+]([O-])c1ccc(F)c(/N=C/c2cccc([O-])c2O)c1	ZINC000000357946	371593863	/nfs/dbraw/zinc/59/38/63/371593863.db2.gz	QIARCELABVEZLM-VIZOYTHASA-N	-1	1	276.223	2.896	50	30		CFEAMM
O=S1(=O)c2ccccc2/C(=N\[O-])C=C1c1ccccc1	ZINC000005772779	371886006	/nfs/dbraw/zinc/88/60/06/371886006.db2.gz	MCRMMWSCVACIJL-SSZFMOIBSA-N	-1	1	285.324	2.693	50	30		CFEAMM
COc1ccccc1CN=Nc1ccccc1C(=O)[O-]	ZINC000011770000	371930234	/nfs/dbraw/zinc/93/02/34/371930234.db2.gz	QPAJRQJJRWOQQS-MHWRWJLKSA-N	-1	1	270.288	2.839	50	30		CFEAMM
O=c1[nH]c2ccccc2nc1C=C([O-])c1cccs1	ZINC000012356991	371955522	/nfs/dbraw/zinc/95/55/22/371955522.db2.gz	JYDAKFBJRTTXHA-FLIBITNWSA-N	-1	1	270.313	2.879	50	30		CFEAMM
[O-]/N=C/C(=N\N=C\N1CCCCC1)c1ccc(F)cc1	ZINC000101814853	375655238	/nfs/dbraw/zinc/65/52/38/375655238.db2.gz	MQJBJLZQNUUQDB-HGAGMUQNSA-N	-1	1	276.315	2.504	50	30		CFEAMM
O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)cc1	ZINC000014454948	285015918	/nfs/dbraw/zinc/01/59/18/285015918.db2.gz	CWFKSHWAQPOKQP-YRNVUSSQSA-N	-1	1	268.268	2.757	50	30	biogenic,in-vitro	CFEAMM
Cc1c(C=Nn2cn[n-]c2=S)c2ccccc2n1C	ZINC000252624056	383421899	/nfs/dbraw/zinc/42/18/99/383421899.db2.gz	PFFVAEQQRWTFRL-UHFFFAOYSA-N	-1	1	271.349	2.623	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1ccc2c(c1)OCCO2	ZINC000014198346	296438765	/nfs/dbraw/zinc/43/87/65/296438765.db2.gz	ZGHCVSBYCRXULK-LZYBPNLTSA-N	-1	1	296.278	2.780	50	30		CFEAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1	ZINC000005260175	170080963	/nfs/dbraw/zinc/08/09/63/170080963.db2.gz	VMNVUUOZLUTUCX-UHFFFAOYSA-N	-1	1	272.329	2.668	50	30		CFEAMM
Cc1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)on1	ZINC000012422447	280375970	/nfs/dbraw/zinc/37/59/70/280375970.db2.gz	HUPCFHYWJXNWQP-UHFFFAOYSA-N	-1	1	261.306	2.785	50	30		CFEAMM
Cc1ccc(C)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000003549160	371807843	/nfs/dbraw/zinc/80/78/43/371807843.db2.gz	RUEBLLMGVZUQIU-MOEXGYKKSA-N	-1	1	284.311	2.532	50	30		CFEAMM
O=C(/C=C/c1ccccc1)c1ccc(O)c(O)c1[O-]	ZINC000004252713	371846242	/nfs/dbraw/zinc/84/62/42/371846242.db2.gz	MSDGTBGJKOTHCN-SOFGYWHQSA-N	-1	1	256.257	2.700	50	30	biogenic,in-vitro	CFEAMM
CCCc1cc(=O)[n-]c(NN=C(C)c2ccc(F)cc2)n1	ZINC000004368659	371852461	/nfs/dbraw/zinc/85/24/61/371852461.db2.gz	MXJKGBPCNWVWBZ-GRSHGNNSSA-N	-1	1	288.326	2.698	50	30		CFEAMM
C=CCn1c(=S)[n-]nc1-c1cccc(OC)c1OC	ZINC000013496952	372030692	/nfs/dbraw/zinc/03/06/92/372030692.db2.gz	VHJNLUZERSHLPD-UHFFFAOYSA-N	-1	1	277.349	2.811	50	30		CFEAMM
CC(=Nc1ccccn1)c1c([O-])c2ccccc2oc1=O	ZINC000100835192	375629822	/nfs/dbraw/zinc/62/98/22/375629822.db2.gz	BUICQSTXYUZRMD-UVTDQMKNSA-N	-1	1	280.283	2.569	50	30		CFEAMM
[O-]N=Cc1ccccc1OCc1cn2ccccc2n1	ZINC000252452283	383408538	/nfs/dbraw/zinc/40/85/38/383408538.db2.gz	AOYSLDHTDNNBDE-UHFFFAOYSA-N	-1	1	267.288	2.721	50	30		CFEAMM
Cn1ncc2c1CC/C(=C/c1ccc([O-])c(Cl)c1)C2=O	ZINC000096313708	393819334	/nfs/dbraw/zinc/81/93/34/393819334.db2.gz	AJQNRLUGRRBCQT-POHAHGRESA-N	-1	1	288.734	2.992	50	30		CFEAMM
O=c1[n-]c(=S)[nH]cc1C(F)(F)C(F)(F)C(F)(F)F	ZINC000005313994	170085318	/nfs/dbraw/zinc/08/53/18/170085318.db2.gz	ZTESDHKSKFXMLG-UHFFFAOYSA-N	-1	1	296.167	2.722	50	30		CFEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000005602143	170118627	/nfs/dbraw/zinc/11/86/27/170118627.db2.gz	LXMQNJHXOKUOIV-UHFFFAOYSA-N	-1	1	294.282	2.637	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2)c(=O)o1	ZINC000021475696	171304188	/nfs/dbraw/zinc/30/41/88/171304188.db2.gz	XUCGYWMEZZRXCD-BTKRWWFXSA-N	-1	1	290.702	2.568	50	30		CFEAMM
O=C1c2ccccc2N[C@H](c2ccccc2F)N1[O-]	ZINC000000374815	371598576	/nfs/dbraw/zinc/59/85/76/371598576.db2.gz	CIEPWGHZSVLFOH-ZDUSSCGKSA-N	-1	1	258.252	2.781	50	30		CFEAMM
N#Cc1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000002642307	371745289	/nfs/dbraw/zinc/74/52/89/371745289.db2.gz	NHDFDUQLJAEMNW-UHFFFAOYSA-N	-1	1	279.302	2.842	50	30		CFEAMM
C=CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000002932219	371764228	/nfs/dbraw/zinc/76/42/28/371764228.db2.gz	BIJSDXPMZRSRTF-XYOKQWHBSA-N	-1	1	291.328	2.584	50	30		CFEAMM
C=CCOc1ccccc1CNn1c(C)n[n-]c1=S	ZINC000004475585	371856621	/nfs/dbraw/zinc/85/66/21/371856621.db2.gz	ORQJREZNZGFASY-UHFFFAOYSA-N	-1	1	276.365	2.558	50	30		CFEAMM
Cn1c(C(C#N)=C([O-])c2ccoc2)nnc1-c1ccccc1	ZINC000058179707	373631552	/nfs/dbraw/zinc/63/15/52/373631552.db2.gz	KEYHDAPIYBNFOS-CYBMUJFWSA-N	-1	1	292.298	2.565	50	30		CFEAMM
Cn1cc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cn1	ZINC000096180103	393815891	/nfs/dbraw/zinc/81/58/91/393815891.db2.gz	QIMJNICWXVGCKX-RQOWECAXSA-N	-1	1	262.696	2.675	50	30		CFEAMM
O=C(/C=C\c1cnc(N2CCCC2)nc1)c1ccc([O-])cc1	ZINC000096400700	393820763	/nfs/dbraw/zinc/82/07/63/393820763.db2.gz	RFDALAGOIMHFBO-BAQGIRSFSA-N	-1	1	295.342	2.679	50	30		CFEAMM
Cc1cc(C)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000104150760	397595899	/nfs/dbraw/zinc/59/58/99/397595899.db2.gz	RNMFNJCMYYZCPP-YIEVGGLXSA-N	-1	1	284.311	2.532	50	30		CFEAMM
CCOc1ccc(C=Nn2cn[n-]c2=S)cc1OCC	ZINC000005444621	170099675	/nfs/dbraw/zinc/09/96/75/170099675.db2.gz	TZPJJVFMYNWRDL-OVCLIPMQSA-N	-1	1	292.364	2.620	50	30		CFEAMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000006315339	170190791	/nfs/dbraw/zinc/19/07/91/170190791.db2.gz	LWGZVTAMRDTRFG-UHFFFAOYSA-N	-1	1	290.319	2.807	50	30		CFEAMM
Cn1c(C/C(=N\[O-])c2ccccc2)nc2ccccc21	ZINC000009318764	170371627	/nfs/dbraw/zinc/37/16/27/170371627.db2.gz	VCGVKTADLHNERP-NBVRZTHBSA-N	-1	1	265.316	2.994	50	30		CFEAMM
[O-]/N=C1\C[C@@](O)(C(F)(F)F)Oc2ccc(Cl)cc21	ZINC000004996721	295390623	/nfs/dbraw/zinc/39/06/23/295390623.db2.gz	XCZYMAYEBAWIIK-HXBVQPGFSA-N	-1	1	281.617	2.552	50	30		CFEAMM
C=CCSc1nc([O-])c(CC)c(=O)n1[C@H](C)CC	ZINC000002493842	618170674	/nfs/dbraw/zinc/17/06/74/618170674.db2.gz	SQBAWYKPTIKLLW-SECBINFHSA-N	-1	1	268.382	2.760	50	30		CFEAMM
CC(C)(C(=O)Nc1ccncc1[O-])c1cccc(C#N)c1	ZINC000097237541	347708486	/nfs/dbraw/zinc/70/84/86/347708486.db2.gz	ARYUWQRNCUUABB-UHFFFAOYSA-N	-1	1	281.315	2.575	50	30		CFEAMM
O=C1c2ccccc2N[C@@H](c2cnc3ccccc3n2)N1[O-]	ZINC000000213931	371560494	/nfs/dbraw/zinc/56/04/94/371560494.db2.gz	KQTRFZPOCHAMMM-OAHLLOKOSA-N	-1	1	292.298	2.586	50	30		CFEAMM
C#C[C@](C)(CC)OC(=O)[N-]C(=O)c1c(F)cccc1F	ZINC000002161448	371717277	/nfs/dbraw/zinc/71/72/77/371717277.db2.gz	FIZMVIFLFWKNKN-CQSZACIVSA-N	-1	1	281.258	2.633	50	30		CFEAMM
Cc1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1	ZINC000003441484	371800314	/nfs/dbraw/zinc/80/03/14/371800314.db2.gz	PCULAIQHZZGBRM-WUXMJOGZSA-N	-1	1	252.730	2.785	50	30		CFEAMM
COc1ccc(-c2c(C)c(C)[n-]c(=O)c2C#N)cc1	ZINC000016249031	372102733	/nfs/dbraw/zinc/10/27/33/372102733.db2.gz	DLLGCRYHHMALMU-UHFFFAOYSA-N	-1	1	254.289	2.539	50	30		CFEAMM
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/[O-])cc2)nc1	ZINC000100191505	375615791	/nfs/dbraw/zinc/61/57/91/375615791.db2.gz	ZUGNZWOOATZCJI-VGOFMYFVSA-N	-1	1	259.221	2.590	50	30		CFEAMM
O=[N+]([O-])c1cccc(/C(=N/[O-])N2CCc3ccccc32)c1	ZINC000100467725	375623391	/nfs/dbraw/zinc/62/33/91/375623391.db2.gz	JNRXZOHMEPZNBZ-NXVVXOECSA-N	-1	1	283.287	2.793	50	30		CFEAMM
O=C([O-])c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cc1	ZINC000004653461	393459658	/nfs/dbraw/zinc/45/96/58/393459658.db2.gz	FRDPRSVGUKUCQI-CXUHLZMHSA-N	-1	1	280.287	2.707	50	30		CFEAMM
CC(C)c1[n-]c(=O)c(C#N)c2c1CSC(C)(C)C2	ZINC000008772683	170355368	/nfs/dbraw/zinc/35/53/68/170355368.db2.gz	RVAUOVGJUXOCSJ-UHFFFAOYSA-N	-1	1	262.378	2.938	50	30		CFEAMM
C=CCCCN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1	ZINC000078293761	177330930	/nfs/dbraw/zinc/33/09/30/177330930.db2.gz	BILCJYAMACLJSX-UHFFFAOYSA-N	-1	1	298.390	2.851	50	30		CFEAMM
O=C1c2ccc([O-])c(O)c2O/C1=C\c1cccc(F)c1	ZINC000072238404	280330679	/nfs/dbraw/zinc/33/06/79/280330679.db2.gz	MTKHCEBNOHGONA-GHXNOFRVSA-N	-1	1	272.231	2.853	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(C)cc2C)c(=O)o1	ZINC000102500284	301161241	/nfs/dbraw/zinc/16/12/41/301161241.db2.gz	IHSYLMREHRFCQP-RTRPANQVSA-N	-1	1	298.338	2.840	50	30		CFEAMM
COc1ccccc1NC(=O)C(=O)C=C([O-])c1ccccc1	ZINC000100294494	617684199	/nfs/dbraw/zinc/68/41/99/617684199.db2.gz	RPYFKUNJJXTMKJ-RVDMUPIBSA-N	-1	1	297.310	2.959	50	30		CFEAMM
COc1ccccc1NC(=O)C([O-])=CC(=O)c1ccccc1	ZINC000100294494	617684203	/nfs/dbraw/zinc/68/42/03/617684203.db2.gz	RPYFKUNJJXTMKJ-RVDMUPIBSA-N	-1	1	297.310	2.959	50	30		CFEAMM
O=C1c2cccc3cc(Br)cc(c32)C(=O)N1[O-]	ZINC000023634229	346253377	/nfs/dbraw/zinc/25/33/77/346253377.db2.gz	DAPDTTZROMOMJD-UHFFFAOYSA-N	-1	1	292.088	2.588	50	30		CFEAMM
C#C[C@@](C)(CC)OC(=O)[N-]C(=O)c1c(F)cccc1F	ZINC000002161449	371717046	/nfs/dbraw/zinc/71/70/46/371717046.db2.gz	FIZMVIFLFWKNKN-AWEZNQCLSA-N	-1	1	281.258	2.633	50	30		CFEAMM
Cc1ccc(C)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000003549166	371807375	/nfs/dbraw/zinc/80/73/75/371807375.db2.gz	RUEBLLMGVZUQIU-FYCOFBDGSA-N	-1	1	284.311	2.532	50	30		CFEAMM
Cc1cc(=O)[n-]c(NN=Cc2cccc3ccccc23)n1	ZINC000004693581	371873897	/nfs/dbraw/zinc/87/38/97/371873897.db2.gz	OAXWPNMYCBEQSJ-YVLHZVERSA-N	-1	1	278.315	2.678	50	30		CFEAMM
COc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1O	ZINC000016718957	372117685	/nfs/dbraw/zinc/11/76/85/372117685.db2.gz	MXCFFIZRYGVUHS-VGOFMYFVSA-N	-1	1	284.267	2.723	50	30		CFEAMM
Cc1cc(N=Cc2nc(-c3ccco3)oc2[O-])no1	ZINC000252610265	383421735	/nfs/dbraw/zinc/42/17/35/383421735.db2.gz	HZSSNNRXMOKFHV-UHFFFAOYSA-N	-1	1	259.221	2.687	50	30		CFEAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C	ZINC000002636430	371743689	/nfs/dbraw/zinc/74/36/89/371743689.db2.gz	WMQONBJULDSNMR-UHFFFAOYSA-N	-1	1	286.356	2.976	50	30		CFEAMM
O=C1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C([O-])c2ccccc21	ZINC000005080698	371877598	/nfs/dbraw/zinc/87/75/98/371877598.db2.gz	LNOXMCSXGIDVIJ-UHFFFAOYSA-N	-1	1	295.250	2.943	50	30		CFEAMM
C=CCn1c(-c2cnn(-c3ccccc3)c2N)n[n-]c1=S	ZINC000013658620	372039163	/nfs/dbraw/zinc/03/91/63/372039163.db2.gz	LXLBDYMGCCJMMK-UHFFFAOYSA-N	-1	1	298.375	2.562	50	30		CFEAMM
Cc1nc(Nc2ccc(Cl)cc2)c(C#N)c(=O)[n-]1	ZINC000017111482	372127558	/nfs/dbraw/zinc/12/75/58/372127558.db2.gz	GORZEKPNVNJNAZ-UHFFFAOYSA-N	-1	1	260.684	2.759	50	30		CFEAMM
Cc1cccc(C(=O)C=C([O-])C(=O)Nc2nccs2)c1	ZINC000100682924	375625961	/nfs/dbraw/zinc/62/59/61/375625961.db2.gz	CDRCOHJWEFRGSC-WQLSENKSSA-N	-1	1	288.328	2.715	50	30		CFEAMM
COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2)cc1	ZINC000100798233	375628274	/nfs/dbraw/zinc/62/82/74/375628274.db2.gz	UBTHBUQWHDBSCI-WJDWOHSUSA-N	-1	1	297.310	2.959	50	30		CFEAMM
COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccccc2)cc1	ZINC000100798233	375628285	/nfs/dbraw/zinc/62/82/85/375628285.db2.gz	UBTHBUQWHDBSCI-WJDWOHSUSA-N	-1	1	297.310	2.959	50	30		CFEAMM
COc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1OC	ZINC000101774627	375654686	/nfs/dbraw/zinc/65/46/86/375654686.db2.gz	FSJGPQVLROEHOE-WDZFZDKYSA-N	-1	1	276.210	2.891	50	30		CFEAMM
COC(=O)c1c[n-]c(S[C@@H](C)c2ccc(C#N)cc2)n1	ZINC000193549372	382720825	/nfs/dbraw/zinc/72/08/25/382720825.db2.gz	ZWXVFCRAOOSCNP-VIFPVBQESA-N	-1	1	287.344	2.921	50	30		CFEAMM
O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1[O-]	ZINC000000445006	285024970	/nfs/dbraw/zinc/02/49/70/285024970.db2.gz	SKFJGBYTAFUYJS-CYBMUJFWSA-N	-1	1	285.259	2.551	50	30		CFEAMM
[O-]N=C1CCCOc2ccc(Br)cc21	ZINC000254615764	383469305	/nfs/dbraw/zinc/46/93/05/383469305.db2.gz	VBZGBCSHRUMCAQ-UHFFFAOYSA-N	-1	1	256.099	2.800	50	30		CFEAMM
O=C(Oc1ccc(/C=N/[O-])cc1)c1ccc(F)cc1	ZINC000020423881	393485470	/nfs/dbraw/zinc/48/54/70/393485470.db2.gz	UBHXLOBFYILJIZ-CXUHLZMHSA-N	-1	1	259.236	2.853	50	30		CFEAMM
COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)c1	ZINC000103503663	397595132	/nfs/dbraw/zinc/59/51/32/397595132.db2.gz	ABVKRQOXYCKCMG-CYBMUJFWSA-N	-1	1	298.298	2.558	50	30		CFEAMM
COc1ccc2ccccc2c1C=Nn1cn[n-]c1=S	ZINC000006093375	170175749	/nfs/dbraw/zinc/17/57/49/170175749.db2.gz	RIOZBVFTUFNPAQ-LZYBPNLTSA-N	-1	1	284.344	2.985	50	30		CFEAMM
C=CCn1c(Cc2ccc(OC)c(OC)c2)n[n-]c1=S	ZINC000006556074	170212669	/nfs/dbraw/zinc/21/26/69/170212669.db2.gz	TVRKUJHDBCLRPX-UHFFFAOYSA-N	-1	1	291.376	2.735	50	30		CFEAMM
CCCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2)n1	ZINC000008628396	170343544	/nfs/dbraw/zinc/34/35/44/170343544.db2.gz	QOOTUDDHUBMRLN-UHFFFAOYSA-N	-1	1	285.372	2.886	50	30		CFEAMM
C=CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1	ZINC000020161122	171040938	/nfs/dbraw/zinc/04/09/38/171040938.db2.gz	IGQPVLSKYIZBMV-FLIBITNWSA-N	-1	1	261.302	2.575	50	30		CFEAMM
N#Cc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1	ZINC000053298372	283121290	/nfs/dbraw/zinc/12/12/90/283121290.db2.gz	WTQVEWVEMJJXEE-CHHVJCJISA-N	-1	1	263.252	2.880	50	30		CFEAMM
Cc1n[n-]c(=S)n1N=Cc1ccccc1OC(F)F	ZINC000002791836	371755092	/nfs/dbraw/zinc/75/50/92/371755092.db2.gz	YUUYKLKITYEAIB-MKMNVTDBSA-N	-1	1	284.291	2.733	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc(Cl)c2)c(=O)o1	ZINC000003095547	371771876	/nfs/dbraw/zinc/77/18/76/371771876.db2.gz	ZJPFWLZDCFWUQD-GJBLVYBDSA-N	-1	1	290.702	2.568	50	30		CFEAMM
C=CCn1c(COc2ccc(OC)cc2)n[n-]c1=S	ZINC000005484306	371881898	/nfs/dbraw/zinc/88/18/98/371881898.db2.gz	QRETVRFAPFWBRB-UHFFFAOYSA-N	-1	1	277.349	2.714	50	30		CFEAMM
N#Cc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1	ZINC000009691033	371900812	/nfs/dbraw/zinc/90/08/12/371900812.db2.gz	WTQVEWVEMJJXEE-VIZOYTHASA-N	-1	1	263.252	2.880	50	30		CFEAMM
O=[N+]([O-])c1cccc(C=NNc2nc3ccccc3[nH]2)c1[O-]	ZINC000038169203	372772963	/nfs/dbraw/zinc/77/29/63/372772963.db2.gz	VHMQWIUCGJAVDL-OVCLIPMQSA-N	-1	1	297.274	2.623	50	30		CFEAMM
CC(C)(C)OC(=O)Nc1nccc(Cl)c1/C=N/[O-]	ZINC000100002203	375611819	/nfs/dbraw/zinc/61/18/19/375611819.db2.gz	JOGZHNYBXXWRCI-MKMNVTDBSA-N	-1	1	271.704	2.890	50	30		CFEAMM
O=C1Nc2ccccc2/C1=C1/[N-]c2ccccc2C1=O	ZINC000018825333	393483726	/nfs/dbraw/zinc/48/37/26/393483726.db2.gz	CRDNMYFJWFXOCH-YPKPFQOOSA-N	-1	1	262.268	2.658	50	30	aggregator,biogenic,in-vitro	CFEAMM
O=C1c2ccc([O-])c(O)c2O/C1=C\c1cccs1	ZINC000072238411	393650194	/nfs/dbraw/zinc/65/01/94/393650194.db2.gz	SZUMBNYNCQHTHL-POHAHGRESA-N	-1	1	260.270	2.776	50	30		CFEAMM
COc1cc(C#C[Si](C)(C)C)c([O-])c(Cl)n1	ZINC000169811382	286191610	/nfs/dbraw/zinc/19/16/10/286191610.db2.gz	UVJDGLRCSIFECD-UHFFFAOYSA-N	-1	1	255.777	2.678	50	30		CFEAMM
CC(=O)Nc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1	ZINC000096930345	185132104	/nfs/dbraw/zinc/13/21/04/185132104.db2.gz	QFHLXDVKXCRKHZ-LZYBPNLTSA-N	-1	1	295.294	2.967	50	30		CFEAMM
CN(C)c1ccc(/C=C2/Oc3c(ccc([O-])c3O)C2=O)cc1	ZINC000000085783	282280294	/nfs/dbraw/zinc/28/02/94/282280294.db2.gz	SRLRCHHHTVDWFX-NTEUORMPSA-N	-1	1	297.310	2.780	50	30		CFEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2)cc1	ZINC000000381047	371600361	/nfs/dbraw/zinc/60/03/61/371600361.db2.gz	BBQLCKFJEDETJU-UHFFFAOYSA-N	-1	1	290.344	2.710	50	30		CFEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccccc2)cc1	ZINC000000381047	371600364	/nfs/dbraw/zinc/60/03/64/371600364.db2.gz	BBQLCKFJEDETJU-UHFFFAOYSA-N	-1	1	290.344	2.710	50	30		CFEAMM
O=[N+]([O-])c1cccc(/N=C/c2ccc(O)c([O-])c2)c1	ZINC000000561346	371639806	/nfs/dbraw/zinc/63/98/06/371639806.db2.gz	FXNDICDJLSNFNO-RIYZIHGNSA-N	-1	1	258.233	2.757	50	30		CFEAMM
CC(=NNc1cccc(C)c1C)c1ccc([O-])c(C(N)=O)c1	ZINC000003908992	371825898	/nfs/dbraw/zinc/82/58/98/371825898.db2.gz	MKTZHHVCXQKBIM-UNOMPAQXSA-N	-1	1	297.358	2.944	50	30		CFEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)cc1	ZINC000013481340	372029742	/nfs/dbraw/zinc/02/97/42/372029742.db2.gz	KEZLDSPIRVZOKZ-AUWJEWJLSA-N	-1	1	254.241	2.714	50	30	endogenous,in-man	CFEAMM
Cc1ccc2nc(Nc3ccccc3)c(/C=N/[O-])c(=O)n2c1	ZINC000018038262	372139703	/nfs/dbraw/zinc/13/97/03/372139703.db2.gz	WQAMFFJSEXOHTM-RQZCQDPDSA-N	-1	1	294.314	2.555	50	30		CFEAMM
N#Cc1ccc([O-])c(-n2ccnc2-c2ccco2)c1	ZINC000067688418	373991665	/nfs/dbraw/zinc/99/16/65/373991665.db2.gz	MQSKCAURBZPOBA-UHFFFAOYSA-N	-1	1	251.245	2.710	50	30		CFEAMM
COC(=O)c1sccc1-c1ccc(/C=N/[O-])o1	ZINC000100277755	375618057	/nfs/dbraw/zinc/61/80/57/375618057.db2.gz	RPJZAXLNIDSWLN-WUXMJOGZSA-N	-1	1	251.263	2.603	50	30		CFEAMM
Oc1ccc2ccccc2c1CN=Nc1ccccn1	ZINC000004974637	170047357	/nfs/dbraw/zinc/04/73/57/170047357.db2.gz	SJAJMGQSQCLFSP-WQRHYEAKSA-N	-1	1	263.300	2.808	50	30		CFEAMM
Cc1nnsc1C(=O)[N-]c1nnc(CC(C)C)s1	ZINC000027988709	260134104	/nfs/dbraw/zinc/13/41/04/260134104.db2.gz	KEJGDZHOXYLUJM-UHFFFAOYSA-N	-1	1	283.382	2.533	50	30		CFEAMM
COC(=O)c1cccc2c1-c1ccccc1/C2=N\[O-]	ZINC000012378336	277164014	/nfs/dbraw/zinc/16/40/14/277164014.db2.gz	NGVLXRBIJYFIFM-JQIJEIRASA-N	-1	1	253.257	2.680	50	30		CFEAMM
[O-]/N=C1/C[C@](O)(C(F)(F)F)Oc2ccc(Cl)cc21	ZINC000100450729	617944714	/nfs/dbraw/zinc/94/47/14/617944714.db2.gz	XCZYMAYEBAWIIK-KIKKFWRUSA-N	-1	1	281.617	2.552	50	30		CFEAMM
N#Cc1c(=O)[n-]ccc1Nc1ccc(Br)cc1	ZINC000108355970	347741104	/nfs/dbraw/zinc/74/11/04/347741104.db2.gz	JINXEXFVPMWMRS-UHFFFAOYSA-N	-1	1	290.120	2.753	50	30		CFEAMM
COc1ccc(N/C(=N/[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000004357402	371852676	/nfs/dbraw/zinc/85/26/76/371852676.db2.gz	MLSNGUJMPCHUJV-UHFFFAOYSA-N	-1	1	287.275	2.851	50	30		CFEAMM
C=CCOc1ccc(C(=O)Nc2ccncc2[O-])cc1	ZINC000095394589	375430434	/nfs/dbraw/zinc/43/04/34/375430434.db2.gz	MEIAHVSKNWCNSL-UHFFFAOYSA-N	-1	1	270.288	2.604	50	30		CFEAMM
COc1ccc(C(=O)Oc2ccc(/C=N/[O-])cc2)cc1	ZINC000100339624	375619607	/nfs/dbraw/zinc/61/96/07/375619607.db2.gz	UHHJKERSXUMNII-MHWRWJLKSA-N	-1	1	271.272	2.723	50	30		CFEAMM
Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C=N[O-]	ZINC000252640478	383423237	/nfs/dbraw/zinc/42/32/37/383423237.db2.gz	YUVMJYFFUIYJGS-UHFFFAOYSA-N	-1	1	265.700	2.982	50	30		CFEAMM
Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000006316534	170190730	/nfs/dbraw/zinc/19/07/30/170190730.db2.gz	CEWMUOYAXWNHDE-UHFFFAOYSA-N	-1	1	290.319	2.807	50	30		CFEAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000007050670	170264663	/nfs/dbraw/zinc/26/46/63/170264663.db2.gz	HBCUMMYCKLZGPJ-UHFFFAOYSA-N	-1	1	286.356	2.921	50	30		CFEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000009303967	170370466	/nfs/dbraw/zinc/37/04/66/170370466.db2.gz	CXLFZVUSUBLADF-VMPITWQZSA-N	-1	1	286.283	2.559	50	30		CFEAMM
O=C(/C=C/c1cnc(N2CCCC2)nc1)c1ccc([O-])cc1	ZINC000044012729	175138478	/nfs/dbraw/zinc/13/84/78/175138478.db2.gz	RFDALAGOIMHFBO-FPYGCLRLSA-N	-1	1	295.342	2.679	50	30		CFEAMM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccno3)sc2C1	ZINC000010253914	278617618	/nfs/dbraw/zinc/61/76/18/278617618.db2.gz	ITFKFAABBCZLLF-MRVPVSSYSA-N	-1	1	287.344	2.985	50	30		CFEAMM
Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(C)c1	ZINC000102500371	618260228	/nfs/dbraw/zinc/26/02/28/618260228.db2.gz	KOVDDKZXZITNQO-MOEXGYKKSA-N	-1	1	284.311	2.532	50	30		CFEAMM
Nc1ccccc1NC(=CC(=O)c1ccccc1)C(=O)[O-]	ZINC000001825811	371708535	/nfs/dbraw/zinc/70/85/35/371708535.db2.gz	VZORQHWLQWBSHQ-GXDHUFHOSA-N	-1	1	282.299	2.532	50	30		CFEAMM
C=CCOc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1	ZINC000002472207	371728127	/nfs/dbraw/zinc/72/81/27/371728127.db2.gz	FKZIDBGIZLBDDF-UHFFFAOYSA-N	-1	1	290.340	2.790	50	30		CFEAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C)c1	ZINC000003328527	371791129	/nfs/dbraw/zinc/79/11/29/371791129.db2.gz	CTVMEGBCKINSJV-UHFFFAOYSA-N	-1	1	286.356	2.976	50	30		CFEAMM
Cc1c(/C=C2/Oc3cc([O-])ccc3C2=O)cc(C#N)n1C	ZINC000009154988	371900545	/nfs/dbraw/zinc/90/05/45/371900545.db2.gz	ZAUZWHKLWMVOMC-GIDUJCDVSA-N	-1	1	280.283	2.527	50	30		CFEAMM
Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2C#N)c1	ZINC000014251237	372066091	/nfs/dbraw/zinc/06/60/91/372066091.db2.gz	YGGVAMROHIIWHN-UHFFFAOYSA-N	-1	1	290.319	2.807	50	30		CFEAMM
O=C1c2ccc([O-])c(O)c2O/C1=C/c1ccccc1	ZINC000027418245	372341250	/nfs/dbraw/zinc/34/12/50/372341250.db2.gz	WNEHQGPJZOGLMM-XYOKQWHBSA-N	-1	1	254.241	2.714	50	30		CFEAMM
C=CCc1c([O-])c(Br)ccc1C(=O)OC	ZINC000098095592	375601714	/nfs/dbraw/zinc/60/17/14/375601714.db2.gz	ZMUGKMBBGAFSAJ-UHFFFAOYSA-N	-1	1	271.110	2.670	50	30		CFEAMM
O=C1c2ccc([O-])c(O)c2O/C1=C\c1ccc(F)cc1	ZINC000013487310	285015956	/nfs/dbraw/zinc/01/59/56/285015956.db2.gz	GQYNAQANODCSRC-GHXNOFRVSA-N	-1	1	272.231	2.853	50	30		CFEAMM
CCCCC1=C([O-])c2c(O)n(C)c(=O)c3cccc(c32)C1=O	ZINC000252495673	393936127	/nfs/dbraw/zinc/93/61/27/393936127.db2.gz	OVKUSSBZSKDSQB-UHFFFAOYSA-N	-1	1	299.326	2.900	50	30		CFEAMM
C#CCOc1ccc(C(=O)c2ccc([O-])cc2)cc1	ZINC000045370751	175364330	/nfs/dbraw/zinc/36/43/30/175364330.db2.gz	TZKIHDJSIXVMIQ-UHFFFAOYSA-N	-1	1	252.269	2.635	50	30		CFEAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)cc2Cl)n1	ZINC000006962172	280301184	/nfs/dbraw/zinc/30/11/84/280301184.db2.gz	DPOCHLRFJYIZFM-GIDUJCDVSA-N	-1	1	297.145	2.831	50	30		CFEAMM
CCN(C[C@@H](C)C#N)C(=O)c1c([O-])cnc2ccccc21	ZINC000095978376	185052124	/nfs/dbraw/zinc/05/21/24/185052124.db2.gz	OZVGYYYTERYIAC-NSHDSACASA-N	-1	1	283.331	2.562	50	30		CFEAMM
COc1cccc([C@@H]2Nc3ccccc3C(=O)N2[O-])c1	ZINC000000374744	371599120	/nfs/dbraw/zinc/59/91/20/371599120.db2.gz	BRVSWDGLHOBBKR-CQSZACIVSA-N	-1	1	270.288	2.651	50	30		CFEAMM
CCCc1cc(=O)[n-]c(NN=Cc2ccccc2Cl)n1	ZINC000003946818	371826165	/nfs/dbraw/zinc/82/61/65/371826165.db2.gz	DGHDGDAQVARZRY-CXUHLZMHSA-N	-1	1	290.754	2.822	50	30		CFEAMM
C=CCOc1cccc(C=C2SC(=S)[N-]C2=O)c1	ZINC000012343918	371953051	/nfs/dbraw/zinc/95/30/51/371953051.db2.gz	RLHPIBCEINBSOF-FLIBITNWSA-N	-1	1	277.370	2.740	50	30		CFEAMM
C=CCc1c(C)nc(SCC(=O)C(C)(C)C)[n-]c1=O	ZINC000013468266	372028845	/nfs/dbraw/zinc/02/88/45/372028845.db2.gz	YGCBQSHDJBJEDR-UHFFFAOYSA-N	-1	1	280.393	2.514	50	30		CFEAMM
N#Cc1ccccc1SCCC[N-]C(=O)C(F)(F)F	ZINC000089809560	374956156	/nfs/dbraw/zinc/95/61/56/374956156.db2.gz	CSEMYHFDYZUEAP-UHFFFAOYSA-N	-1	1	288.294	2.719	50	30		CFEAMM
N#Cc1cnn2c1nccc2-c1cc(Cl)ccc1[O-]	ZINC000095473311	375459579	/nfs/dbraw/zinc/45/95/79/375459579.db2.gz	PFTYMQMQALHQMV-UHFFFAOYSA-N	-1	1	270.679	2.627	50	30		CFEAMM
N#CC(=C([O-])c1cccnc1)c1cnc2ccccc2n1	ZINC000170611867	379129203	/nfs/dbraw/zinc/12/92/03/379129203.db2.gz	QTADGMWQLZCUST-LBPRGKRZSA-N	-1	1	274.283	2.515	50	30		CFEAMM
Cc1nn(C)cc1C(=O)/C=C/c1ccc([O-])c(Cl)c1	ZINC000049372082	412942547	/nfs/dbraw/zinc/94/25/47/412942547.db2.gz	MUXSOAOXZHQWEM-HWKANZROSA-N	-1	1	276.723	2.984	50	30		CFEAMM
[O-]c1c(Cl)cc(Cl)cc1C=Nc1nnc[nH]1	ZINC000012489252	393473703	/nfs/dbraw/zinc/47/37/03/393473703.db2.gz	TYOUAJGUAOUJES-KGVSQERTSA-N	-1	1	257.080	2.568	50	30		CFEAMM
CCCCc1nnc([N-]C(=O)c2snnc2CC)s1	ZINC000022743096	393489995	/nfs/dbraw/zinc/48/99/95/393489995.db2.gz	IXIVXTPLHLECBO-UHFFFAOYSA-N	-1	1	297.409	2.931	50	30		CFEAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000007052662	170264609	/nfs/dbraw/zinc/26/46/09/170264609.db2.gz	LLDONTRODZTLGV-UHFFFAOYSA-N	-1	1	272.329	2.668	50	30		CFEAMM
C=C(C)CSc1nc(C)c(CC(C)C)c(=O)[n-]1	ZINC000021151138	171298388	/nfs/dbraw/zinc/29/83/88/171298388.db2.gz	CESWOMMNVROECJ-UHFFFAOYSA-N	-1	1	252.383	2.945	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2)c(=O)o1	ZINC000021475699	171304136	/nfs/dbraw/zinc/30/41/36/171304136.db2.gz	XUCGYWMEZZRXCD-GBXSZLQWSA-N	-1	1	290.702	2.568	50	30		CFEAMM
C=CCn1c(CC(=O)Nc2ccc(C)cc2)n[n-]c1=S	ZINC000038536741	174144744	/nfs/dbraw/zinc/14/47/44/174144744.db2.gz	ROSNRECYNRRRJA-UHFFFAOYSA-N	-1	1	288.376	2.616	50	30		CFEAMM
O=C(Cc1nc2c([O-])cccc2[nH]c1=O)c1ccccc1	ZINC000077024286	177153749	/nfs/dbraw/zinc/15/37/49/177153749.db2.gz	MJFNDRGQHWPFJU-FMIVXFBMSA-N	-1	1	280.283	2.523	50	30		CFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(C)cc2C)c(=O)o1	ZINC000105640870	301160961	/nfs/dbraw/zinc/16/09/61/301160961.db2.gz	IHSYLMREHRFCQP-OSJSJHBBSA-N	-1	1	298.338	2.840	50	30		CFEAMM