smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc(=O)[n-]c(NN=Cc2c(Cl)ccc(Cl)c2Cl)n1	ZINC000004423984	521344667	/nfs/dbraw/zinc/34/46/67/521344667.db2.gz	VPTOSACAIXYAMU-CNHKJKLMSA-N	-1	1	359.644	4.129	50	30		FIEAMM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1	ZINC000033826081	570587592	/nfs/dbraw/zinc/58/75/92/570587592.db2.gz	RWLUUVGYDYELMD-HMAPJEAMSA-N	-1	1	367.365	4.197	50	30		FIEAMM
O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1	ZINC000170612954	1115738420	/nfs/dbraw/zinc/73/84/20/1115738420.db2.gz	VEBSYKTVMMNJIM-LREOWRDNSA-N	-1	1	369.726	4.443	50	30		FIEAMM
COc1cc(/C=N/[O-])c(Br)cc1OCc1ccccc1Cl	ZINC000002763589	204056396	/nfs/dbraw/zinc/05/63/96/204056396.db2.gz	JOWOPESHAKPWCC-QGMBQPNBSA-N	-1	1	370.630	4.498	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000005593826	204217339	/nfs/dbraw/zinc/21/73/39/204217339.db2.gz	FVRYMKDHGYPBNP-LJQANCHMSA-N	-1	1	374.371	4.004	50	30		FIEAMM
CCOc1nc2sc3c([n-]cnc3=S)c2c(-c2ccccc2)c1C#N	ZINC000008705189	204338794	/nfs/dbraw/zinc/33/87/94/204338794.db2.gz	OKFHCVIKIQRGSF-UHFFFAOYSA-N	-1	1	364.455	4.466	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1cccc(F)c1)c1ccccc1	ZINC000009090148	204354392	/nfs/dbraw/zinc/35/43/92/204354392.db2.gz	OOSJFLCUJDXWFR-LJQANCHMSA-N	-1	1	374.371	4.004	50	30		FIEAMM
COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(Cl)c1OC	ZINC000046706650	522172335	/nfs/dbraw/zinc/17/23/35/522172335.db2.gz	YQOXBPGBRGIELF-LLVKDONJSA-N	-1	1	372.833	4.457	50	30		FIEAMM
Cc1ccc(/C=C\C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1	ZINC000096055663	525961596	/nfs/dbraw/zinc/96/15/96/525961596.db2.gz	JPWPOXGWWLVVGD-SEYXRHQNSA-N	-1	1	367.426	4.285	50	30		FIEAMM
COc1cc(Br)c([O-])c(/C=N/Cc2ccc(Cl)cc2)c1	ZINC000100318587	570503079	/nfs/dbraw/zinc/50/30/79/570503079.db2.gz	OSNAMLJWCONQHT-GIJQJNRQSA-N	-1	1	354.631	4.436	50	30		FIEAMM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000078899979	571321500	/nfs/dbraw/zinc/32/15/00/571321500.db2.gz	JODILOJRBAERPD-UHFFFAOYSA-N	-1	1	369.490	4.060	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000100439880	206223451	/nfs/dbraw/zinc/22/34/51/206223451.db2.gz	BQEHVJQOZUWCQY-YDJIHCHBSA-N	-1	1	373.383	4.452	50	30		FIEAMM
N#CC(=N[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1	ZINC000033826079	570587527	/nfs/dbraw/zinc/58/75/27/570587527.db2.gz	RWLUUVGYDYELMD-HYARGMPZSA-N	-1	1	367.365	4.197	50	30		FIEAMM
C=CCn1c2nc(-c3cccc(OCC(=C)C)c3)[n-]c(=O)c2sc1=S	ZINC000001444478	571123918	/nfs/dbraw/zinc/12/39/18/571123918.db2.gz	IDIQKYBUMROKAN-UHFFFAOYSA-N	-1	1	371.487	4.323	50	30		FIEAMM
C=CCON=C(C)c1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000252626737	571289029	/nfs/dbraw/zinc/28/90/29/571289029.db2.gz	RETLYVZCTPFEQX-UHFFFAOYSA-N	-1	1	360.413	4.137	50	30		FIEAMM
O=C1c2cccc(Cl)c2O/C1=C\c1ccc([O-])c(Br)c1	ZINC000299738213	527125718	/nfs/dbraw/zinc/12/57/18/527125718.db2.gz	JZGYCYJKBMHRDY-QPEQYQDCSA-N	-1	1	351.583	4.424	50	30		FIEAMM
C=CCSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1	ZINC000012650193	571118423	/nfs/dbraw/zinc/11/84/23/571118423.db2.gz	XMCXGOXGFGPZAR-UHFFFAOYSA-N	-1	1	370.499	4.496	50	30		FIEAMM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccco2)C1=C([O-])c1cccs1	ZINC000001050102	571144672	/nfs/dbraw/zinc/14/46/72/571144672.db2.gz	KWEAFEKYWITKJC-MRXNPFEDSA-N	-1	1	351.383	4.124	50	30		FIEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccco1	ZINC000001050102	571144675	/nfs/dbraw/zinc/14/46/75/571144675.db2.gz	KWEAFEKYWITKJC-MRXNPFEDSA-N	-1	1	351.383	4.124	50	30		FIEAMM
COc1cc(-c2cc(-c3ccc(F)c(F)c3)nc(N)c2C#N)cc(F)c1[O-]	ZINC000067921928	571321929	/nfs/dbraw/zinc/32/19/29/571321929.db2.gz	MFDGDQONZKMOSN-UHFFFAOYSA-N	-1	1	371.318	4.001	50	30		FIEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)no1	ZINC000005884193	206199292	/nfs/dbraw/zinc/19/92/92/206199292.db2.gz	AJFHTSIKSWURBR-IBGZPJMESA-N	-1	1	374.396	4.074	50	30		FIEAMM
CC1(C#N)CCN(Cc2cc(-c3ccsc3)ccc2OCC(=O)[O-])CC1	ZINC000215260335	568060545	/nfs/dbraw/zinc/06/05/45/568060545.db2.gz	ODZOTZIFKXFFCH-UHFFFAOYSA-N	-1	1	370.474	4.004	50	30		FIEAMM
COc1ccc(Cl)cc1NC(=O)C([O-])=CC(=O)c1ccc(Cl)cc1	ZINC000101355171	570818989	/nfs/dbraw/zinc/81/89/89/570818989.db2.gz	PEYBTHBLGVGDJK-DHDCSXOGSA-N	-1	1	366.200	4.265	50	30		FIEAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2ccc(C#N)cc2)S1	ZINC000085412094	571113381	/nfs/dbraw/zinc/11/33/81/571113381.db2.gz	MEHNHDMSUZTOTC-KRWDZBQOSA-N	-1	1	352.463	4.439	50	30		FIEAMM
COc1ccc(N=C2S/C(=C/c3ccc([O-])c(Cl)c3)C(=O)N2C)cc1	ZINC000252620267	571287406	/nfs/dbraw/zinc/28/74/06/571287406.db2.gz	MAORBJNTYAZFIF-MSWOZKQMSA-N	-1	1	374.849	4.288	50	30		FIEAMM
S=c1[n-]nc(NN=Cc2ccccc2OCc2ccccc2Cl)[nH]1	ZINC000035657501	526389220	/nfs/dbraw/zinc/38/92/20/526389220.db2.gz	OVORHOAHSLROKJ-NVMNQCDNSA-N	-1	1	359.842	4.146	50	30		FIEAMM
Cc1ccc(NC(=O)C([O-])=CC(=O)c2ccccc2)cc1Br	ZINC000100126696	570521331	/nfs/dbraw/zinc/52/13/31/570521331.db2.gz	CXMSVQCZDNRAHM-YBEGLDIGSA-N	-1	1	360.207	4.021	50	30		FIEAMM
O=C(C=CNc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)c(Cl)c1	ZINC000101406817	570819997	/nfs/dbraw/zinc/81/99/97/570819997.db2.gz	PPLNHBJAIHQYCZ-AATRIKPKSA-N	-1	1	353.161	4.416	50	30		FIEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1c(Cl)cccc1Cl)O2	ZINC000033363120	571064687	/nfs/dbraw/zinc/06/46/87/571064687.db2.gz	RDYSUKIAMIAUHK-LZYBPNLTSA-N	-1	1	364.228	4.377	50	30		FIEAMM
COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)c1[O-]	ZINC000001095400	571146171	/nfs/dbraw/zinc/14/61/71/571146171.db2.gz	JKBXHXJBZDQYHE-ZVBGSRNCSA-N	-1	1	373.865	4.435	50	30		FIEAMM
CN(Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2	ZINC000020533358	571330808	/nfs/dbraw/zinc/33/08/08/571330808.db2.gz	OMWLWEJRTTUCGC-NDENLUEZSA-N	-1	1	361.397	4.233	50	30		FIEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)s2)c(=O)o1	ZINC000101006956	1102224206	/nfs/dbraw/zinc/22/42/06/1102224206.db2.gz	DMXONLDRYUZPGO-IWHGQQBYSA-N	-1	1	372.829	4.297	50	30		FIEAMM
CC(=O)NC([N-]c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000002344650	204034934	/nfs/dbraw/zinc/03/49/34/204034934.db2.gz	LHZUJPPMZNOVAM-UHFFFAOYSA-N	-1	1	368.199	4.074	50	30		FIEAMM
O=C([O-])c1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1	ZINC000003115638	204078175	/nfs/dbraw/zinc/07/81/75/204078175.db2.gz	ZSZYFUXVSQRWKU-REZTVBANSA-N	-1	1	354.587	4.257	50	30		FIEAMM
CCOC(=O)c1sc([N-]c2nc3ccccc3nc2Cl)c(C#N)c1C	ZINC000003300088	204088947	/nfs/dbraw/zinc/08/89/47/204088947.db2.gz	ACHWBZSNHFJTFT-UHFFFAOYSA-N	-1	1	372.837	4.445	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(F)c1)c1ccccc1	ZINC000009087943	204354068	/nfs/dbraw/zinc/35/40/68/204354068.db2.gz	WQPJTSPKZZGEFA-IBGZPJMESA-N	-1	1	374.371	4.004	50	30		FIEAMM
CCC(=O)[N-]C(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000002937660	206157237	/nfs/dbraw/zinc/15/72/37/206157237.db2.gz	IILAITWECJKYJP-UHFFFAOYSA-N	-1	1	366.664	4.238	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1	ZINC000104130202	206236159	/nfs/dbraw/zinc/23/61/59/206236159.db2.gz	BBAYGBXOSDVSBC-YDJIHCHBSA-N	-1	1	373.383	4.452	50	30		FIEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1	ZINC000012561036	206293613	/nfs/dbraw/zinc/29/36/13/206293613.db2.gz	FFCCKQUWVLBQKA-UHFFFAOYSA-N	-1	1	350.399	4.151	50	30		FIEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC=C2CCCCC2=O)cc1	ZINC000001207384	570492470	/nfs/dbraw/zinc/49/24/70/570492470.db2.gz	LUFVELJVLAEYFM-JQIJEIRASA-N	-1	1	370.474	4.235	50	30		FIEAMM
COc1ccccc1N=C([S-])NN=C1CC(C)(C)Oc2ccc(O)cc21	ZINC000013520715	571103877	/nfs/dbraw/zinc/10/38/77/571103877.db2.gz	OIGCEPOHCUFFRN-RCCKNPSSSA-N	-1	1	371.462	4.064	50	30		FIEAMM
[O-]c1ccc(Cl)cc1/N=C/c1cc2c(cc1Br)OCO2	ZINC000001102915	571147130	/nfs/dbraw/zinc/14/71/30/571147130.db2.gz	GABPGVBIFQRJPZ-UBKPWBPPSA-N	-1	1	354.587	4.287	50	30		FIEAMM
Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)cs1	ZINC000013358041	571323216	/nfs/dbraw/zinc/32/32/16/571323216.db2.gz	YNILQLGHHPAOBW-UHFFFAOYSA-N	-1	1	369.471	4.099	50	30		FIEAMM
COc1cc(Br)c(/C=C\C(=O)c2ccc([O-])cc2)c(OC)c1	ZINC000098056627	1112396241	/nfs/dbraw/zinc/39/62/41/1112396241.db2.gz	XGDSPQNLQAHYGZ-FPLPWBNLSA-N	-1	1	363.207	4.068	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000004312041	204130993	/nfs/dbraw/zinc/13/09/93/204130993.db2.gz	DKBXFDQZINNKNM-IBGZPJMESA-N	-1	1	374.371	4.004	50	30		FIEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2	ZINC000008990265	204351655	/nfs/dbraw/zinc/35/16/55/204351655.db2.gz	HSEGDYOTYNYWKK-UNOMPAQXSA-N	-1	1	351.446	4.368	50	30		FIEAMM
Cc1n[n-]c(=S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1	ZINC000006056452	526481059	/nfs/dbraw/zinc/48/10/59/526481059.db2.gz	OMUXJOYQDRNEOP-VXLYETTFSA-N	-1	1	358.854	4.364	50	30		FIEAMM
COc1cc(C=N[O-])c(Br)cc1OCc1ccccc1Cl	ZINC000252615101	571285967	/nfs/dbraw/zinc/28/59/67/571285967.db2.gz	JOWOPESHAKPWCC-UHFFFAOYSA-N	-1	1	370.630	4.498	50	30		FIEAMM
Clc1cccc(Cl)c1C=N[N-]c1nnc2c3ccccc3[nH]c2n1	ZINC000004996137	207070890	/nfs/dbraw/zinc/07/08/90/207070890.db2.gz	OKHFFZKVALYHCF-UFWORHAWSA-N	-1	1	357.204	4.259	50	30		FIEAMM
COc1cc(Br)c(/C=C\C(=O)c2ccc([O-])cc2)cc1OC	ZINC000033474169	208094897	/nfs/dbraw/zinc/09/48/97/208094897.db2.gz	SCBVXMKSYFGQTA-YVMONPNESA-N	-1	1	363.207	4.068	50	30		FIEAMM
O=[N+]([O-])c1ccc2c(ccc([O-])c2C=Nc2ccc(Br)cn2)c1	ZINC000252679390	527379613	/nfs/dbraw/zinc/37/96/13/527379613.db2.gz	LRYMEAXUMWVDPB-UHFFFAOYSA-N	-1	1	372.178	4.362	50	30		FIEAMM
CCN1C2=C(C(=O)CCC2)C(c2ccc([O-])c(Cl)c2)C2=C1CCCC2=O	ZINC000000780241	568215332	/nfs/dbraw/zinc/21/53/32/568215332.db2.gz	RXZLEGCHWRAPCT-UHFFFAOYSA-N	-1	1	371.864	4.479	50	30		FIEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)cc2Cl)cc1	ZINC000001234465	570495806	/nfs/dbraw/zinc/49/58/06/570495806.db2.gz	JLILJPFSTIOLGJ-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(Cl)cc2Cl)cc1	ZINC000001234465	570495807	/nfs/dbraw/zinc/49/58/07/570495807.db2.gz	JLILJPFSTIOLGJ-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000100439875	570557427	/nfs/dbraw/zinc/55/74/27/570557427.db2.gz	BQEHVJQOZUWCQY-NHFXJNLRSA-N	-1	1	373.383	4.452	50	30		FIEAMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3ccccc3C(=O)N2[O-])o1	ZINC000000651709	570874692	/nfs/dbraw/zinc/87/46/92/570874692.db2.gz	RGOSQAVXTWDXKA-GOSISDBHSA-N	-1	1	365.345	4.119	50	30		FIEAMM
[O-]/N=C/c1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21	ZINC000000860659	571094528	/nfs/dbraw/zinc/09/45/28/571094528.db2.gz	MEGBUZOFMDCCMS-YXUUZYBBSA-N	-1	1	360.413	4.043	50	30		FIEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000012541907	571177715	/nfs/dbraw/zinc/17/77/15/571177715.db2.gz	IOHCQPMRKDKVGW-UHFFFAOYSA-N	-1	1	359.756	4.141	50	30		FIEAMM
COc1cc(Br)c(/C=C/C(=O)c2ccc([O-])cc2)c(OC)c1	ZINC000079107911	1086030135	/nfs/dbraw/zinc/03/01/35/1086030135.db2.gz	XGDSPQNLQAHYGZ-BQYQJAHWSA-N	-1	1	363.207	4.068	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000004312104	207012229	/nfs/dbraw/zinc/01/22/29/207012229.db2.gz	XIGUOQIINOUMRE-LJQANCHMSA-N	-1	1	374.371	4.004	50	30		FIEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O	ZINC000040382573	208248322	/nfs/dbraw/zinc/24/83/22/208248322.db2.gz	DJGSBWHBQCNESO-CQSZACIVSA-N	-1	1	373.437	4.069	50	30		FIEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000001231743	570495704	/nfs/dbraw/zinc/49/57/04/570495704.db2.gz	MXILLRCGSZKZNF-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000001231743	570495702	/nfs/dbraw/zinc/49/57/02/570495702.db2.gz	MXILLRCGSZKZNF-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)no1	ZINC000017245809	570747956	/nfs/dbraw/zinc/74/79/56/570747956.db2.gz	DPWRSMMXBGISFS-LJQANCHMSA-N	-1	1	374.396	4.074	50	30		FIEAMM
C=CCN(Cc1nc(-c2ccccc2)no1)Cc1ccc([O-])c(Cl)c1	ZINC000055154378	571058133	/nfs/dbraw/zinc/05/81/33/571058133.db2.gz	KDZASOHXQMEXLF-UHFFFAOYSA-N	-1	1	355.825	4.284	50	30		FIEAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2ccc(C#N)cc2)S1	ZINC000085412098	571113497	/nfs/dbraw/zinc/11/34/97/571113497.db2.gz	MEHNHDMSUZTOTC-QGZVFWFLSA-N	-1	1	352.463	4.439	50	30		FIEAMM
C=CCN1C(=O)C(=Cc2cc(C)n(C3CCCCC3)c2C)C(=O)[N-]C1=S	ZINC000015837290	571122425	/nfs/dbraw/zinc/12/24/25/571122425.db2.gz	ODOAUFMPPOQTKB-SFQUDFHCSA-N	-1	1	371.506	4.263	50	30		FIEAMM
C=CCn1c(-c2sc(NC(=O)CCCCC)nc2C)n[n-]c1=S	ZINC000012938092	571152008	/nfs/dbraw/zinc/15/20/08/571152008.db2.gz	XGUCCQDZDYAKOD-UHFFFAOYSA-N	-1	1	351.501	4.077	50	30		FIEAMM
C=CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cccc(OC)c2O3)cc1	ZINC000006748562	571244877	/nfs/dbraw/zinc/24/48/77/571244877.db2.gz	PELZCGKFJRODOL-UHFFFAOYSA-N	-1	1	362.385	4.119	50	30		FIEAMM
Cc1ccc(NC(=CC(=O)c2ccc(Br)cc2)C(=O)[O-])cc1	ZINC000004499357	207022407	/nfs/dbraw/zinc/02/24/07/207022407.db2.gz	AKJIVUFOVCGXCK-GDNBJRDFSA-N	-1	1	360.207	4.021	50	30		FIEAMM
[O-]c1c(I)cccc1/C=N/c1cc(Cl)ccc1O	ZINC000003084997	571053729	/nfs/dbraw/zinc/05/37/29/571053729.db2.gz	OMHBEPKOZAIHHD-FRKPEAEDSA-N	-1	1	373.577	4.106	50	30		FIEAMM
C=CCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Cl)ccc2O3)c1	ZINC000006748572	571244796	/nfs/dbraw/zinc/24/47/96/571244796.db2.gz	YUZQVNHWEHPTFV-UHFFFAOYSA-N	-1	1	366.804	4.352	50	30		FIEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000006935516	571255210	/nfs/dbraw/zinc/25/52/10/571255210.db2.gz	QLVWEDNWZQJVDY-UHFFFAOYSA-N	-1	1	360.744	4.031	50	30		FIEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1ccc(F)cc1	ZINC000018208082	571275075	/nfs/dbraw/zinc/27/50/75/571275075.db2.gz	TVWFYXULZNOFOG-ZDUSSCGKSA-N	-1	1	371.437	4.184	50	30		FIEAMM
CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc([O-])c(Cl)c2)CC(=O)O3)C1=O	ZINC000217910197	571351467	/nfs/dbraw/zinc/35/14/67/571351467.db2.gz	CBIXLPYQLJTDRU-LBPRGKRZSA-N	-1	1	370.788	4.356	50	30	biogenic	FIEAMM
C=CCN1C(=O)C(=Cc2cn([C@@H](C)CC)c3ccccc23)C(=O)[N-]C1=S	ZINC000004124047	571355825	/nfs/dbraw/zinc/35/58/25/571355825.db2.gz	JMTZEFVIHVQALI-XDUBLRSXSA-N	-1	1	367.474	4.265	50	30		FIEAMM
O=C(/C=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc([O-])cc1	ZINC000033751126	1122999207	/nfs/dbraw/zinc/99/92/07/1122999207.db2.gz	SYOJRQGIROWNMN-WZUFQYTHSA-N	-1	1	352.390	4.187	50	30		FIEAMM
Cc1ccc(C(=O)C(C=N[O-])N=Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000100134054	209208467	/nfs/dbraw/zinc/20/84/67/209208467.db2.gz	ABZZAINUSUOQJQ-DBZXCDMESA-N	-1	1	350.205	4.413	50	30		FIEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccs1	ZINC000002601159	570526053	/nfs/dbraw/zinc/52/60/53/570526053.db2.gz	HKHXNMGLXSNQJA-GFCCVEGCSA-N	-1	1	374.468	4.049	50	30		FIEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc(Cl)c2Cl)cc1	ZINC000001234464	571069795	/nfs/dbraw/zinc/06/97/95/571069795.db2.gz	LKSCULOZUNZBRB-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cccc(Cl)c2Cl)cc1	ZINC000001234464	571069797	/nfs/dbraw/zinc/06/97/97/571069797.db2.gz	LKSCULOZUNZBRB-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
Cc1ccc(NC(=CC(=O)c2ccccc2)C(=O)[O-])cc1Br	ZINC000001070532	571144882	/nfs/dbraw/zinc/14/48/82/571144882.db2.gz	GFGAGWFQMWVVMU-XNTDXEJSSA-N	-1	1	360.207	4.021	50	30		FIEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2	ZINC000020646540	571331569	/nfs/dbraw/zinc/33/15/69/571331569.db2.gz	CSOVDQJMPXMQHJ-APSNUPSMSA-N	-1	1	364.228	4.377	50	30		FIEAMM
COc1ccc(/N=C2/S/C(=C\c3ccc([O-])c(Cl)c3)C(=O)N2C)cc1	ZINC000100260727	209211605	/nfs/dbraw/zinc/21/16/05/209211605.db2.gz	MAORBJNTYAZFIF-NIQTYAIASA-N	-1	1	374.849	4.288	50	30		FIEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O	ZINC000040382570	208249649	/nfs/dbraw/zinc/24/96/49/208249649.db2.gz	DJGSBWHBQCNESO-AWEZNQCLSA-N	-1	1	373.437	4.069	50	30		FIEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc(OC(F)F)cc1OC(F)F	ZINC000096920988	527123154	/nfs/dbraw/zinc/12/31/54/527123154.db2.gz	HTKYMYGHQXQJCG-RZNTYIFUSA-N	-1	1	370.254	4.211	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000009089491	571095630	/nfs/dbraw/zinc/09/56/30/571095630.db2.gz	MFCQEJZXBBIFNH-LJQANCHMSA-N	-1	1	374.371	4.004	50	30		FIEAMM
C=CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Cl)ccc2O3)cc1	ZINC000006748565	571244830	/nfs/dbraw/zinc/24/48/30/571244830.db2.gz	UOPYYJYWAQFUBY-UHFFFAOYSA-N	-1	1	366.804	4.352	50	30		FIEAMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1ccc(C)cc1	ZINC000005504452	522002110	/nfs/dbraw/zinc/00/21/10/522002110.db2.gz	AYDISCJYCHFWGB-RGVLZGJSSA-N	-1	1	368.462	4.027	50	30		FIEAMM
O=C(C=Cc1ccc(Br)cc1)C1=C([O-])c2ccccc2C1=O	ZINC000002271770	571294370	/nfs/dbraw/zinc/29/43/70/571294370.db2.gz	MRMBVOJGMKTRLY-JXMROGBWSA-N	-1	1	355.187	4.197	50	30		FIEAMM
Cc1ccc(/C=C/C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1	ZINC000079046989	571326679	/nfs/dbraw/zinc/32/66/79/571326679.db2.gz	JPWPOXGWWLVVGD-OUKQBFOZSA-N	-1	1	367.426	4.285	50	30		FIEAMM
O=C1c2ccc([O-])cc2CC/C1=C/c1cnn(-c2ccc(Cl)cc2)c1	ZINC000096402134	571335833	/nfs/dbraw/zinc/33/58/33/571335833.db2.gz	HIIOGWQHNFZZMJ-DHDCSXOGSA-N	-1	1	350.805	4.444	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1cccc(F)c1)c1ccccc1	ZINC000009090147	207257146	/nfs/dbraw/zinc/25/71/46/207257146.db2.gz	OOSJFLCUJDXWFR-IBGZPJMESA-N	-1	1	374.371	4.004	50	30		FIEAMM
CSc1ccc(C)c(NC(=O)N(Cc2ccccc2)C([O-])=CC#N)c1	ZINC000001040196	570474590	/nfs/dbraw/zinc/47/45/90/570474590.db2.gz	JBDPGTXUGWQDAF-UHFFFAOYSA-N	-1	1	353.447	4.191	50	30		FIEAMM
N#Cc1cccc(COc2cccc(C=C3SC(=S)[N-]C3=O)c2)c1	ZINC000040139532	571082021	/nfs/dbraw/zinc/08/20/21/571082021.db2.gz	PNEKONHYLJPDOG-SXGWCWSVSA-N	-1	1	352.440	4.466	50	30		FIEAMM
[O-]/N=C/c1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21	ZINC000000860661	571094665	/nfs/dbraw/zinc/09/46/65/571094665.db2.gz	MEGBUZOFMDCCMS-WQGFDPGOSA-N	-1	1	360.413	4.043	50	30		FIEAMM
C=CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(F)ccc2O3)cc1	ZINC000006748558	571244888	/nfs/dbraw/zinc/24/48/88/571244888.db2.gz	SDKDNAHVQAFXQD-UHFFFAOYSA-N	-1	1	350.349	4.250	50	30		FIEAMM
C=CCON=C(C)c1c([O-])c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000252593597	571284326	/nfs/dbraw/zinc/28/43/26/571284326.db2.gz	BLAWSDSRGLMSEA-UHFFFAOYSA-N	-1	1	374.440	4.445	50	30		FIEAMM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN(C)C)C2=O)c2ccccc21	ZINC000028182784	210242123	/nfs/dbraw/zinc/24/21/23/210242123.db2.gz	NEHVMHHNIOSNQY-JAIQZWGSSA-N	-1	1	362.429	4.045	50	30		FIEAMM
O=[N+]([O-])c1ccc2c(ccc([O-])c2/C=N/c2ccc(Br)cn2)c1	ZINC000001883784	210372704	/nfs/dbraw/zinc/37/27/04/210372704.db2.gz	LRYMEAXUMWVDPB-DJKKODMXSA-N	-1	1	372.178	4.362	50	30		FIEAMM
N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl	ZINC000010514976	571127803	/nfs/dbraw/zinc/12/78/03/571127803.db2.gz	HFDLVJNLBGCHHP-UHFFFAOYSA-N	-1	1	360.744	4.031	50	30		FIEAMM
N#Cc1c([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCC2	ZINC000002846189	571341318	/nfs/dbraw/zinc/34/13/18/571341318.db2.gz	WCSHJWWEIGGOOU-UHFFFAOYSA-N	-1	1	358.291	4.056	50	30		FIEAMM
C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c([O-])c1	ZINC000013127203	210233793	/nfs/dbraw/zinc/23/37/93/210233793.db2.gz	APRGBLOXXLPHPL-UHFFFAOYSA-N	-1	1	363.417	4.062	50	30	aggregator	FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000004312042	570584418	/nfs/dbraw/zinc/58/44/18/570584418.db2.gz	DKBXFDQZINNKNM-LJQANCHMSA-N	-1	1	374.371	4.004	50	30		FIEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)no1	ZINC000005883719	571167601	/nfs/dbraw/zinc/16/76/01/571167601.db2.gz	AJFHTSIKSWURBR-LJQANCHMSA-N	-1	1	374.396	4.074	50	30		FIEAMM
[O-]N=C1c2ccccc2OC(c2ccccc2)Oc2ccccc2C1=NO	ZINC000252627408	571289207	/nfs/dbraw/zinc/28/92/07/571289207.db2.gz	RTMRPUVMTWGJQN-UHFFFAOYSA-N	-1	1	360.369	4.213	50	30		FIEAMM
Cc1ccc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000003907095	571353144	/nfs/dbraw/zinc/35/31/44/571353144.db2.gz	SOWOEMHGWPBDRP-CQSZACIVSA-N	-1	1	367.474	4.354	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000102925525	222313222	/nfs/dbraw/zinc/31/32/22/222313222.db2.gz	WAZBIZRDEGJKCF-YDJIHCHBSA-N	-1	1	373.383	4.452	50	30		FIEAMM
[O-]N=Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21	ZINC000252620437	571287563	/nfs/dbraw/zinc/28/75/63/571287563.db2.gz	MEGBUZOFMDCCMS-KRWDZBQOSA-N	-1	1	360.413	4.043	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000009089490	210250247	/nfs/dbraw/zinc/25/02/47/210250247.db2.gz	MFCQEJZXBBIFNH-IBGZPJMESA-N	-1	1	374.371	4.004	50	30		FIEAMM
C=CCO/N=C(\C)c1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000100292858	222240772	/nfs/dbraw/zinc/24/07/72/222240772.db2.gz	RETLYVZCTPFEQX-XQNSMLJCSA-N	-1	1	360.413	4.137	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000104124496	222350024	/nfs/dbraw/zinc/35/00/24/222350024.db2.gz	SEERVJRHIZOEMS-NHFXJNLRSA-N	-1	1	373.383	4.452	50	30		FIEAMM
CCN(CC)Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)ccc1OC	ZINC000013366010	520741499	/nfs/dbraw/zinc/74/14/99/520741499.db2.gz	ZPQODFHUVJMVRV-XYOKQWHBSA-N	-1	1	367.445	4.131	50	30		FIEAMM
Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)OCO4)n2)cc1	ZINC000007778851	525784929	/nfs/dbraw/zinc/78/49/29/525784929.db2.gz	CEBRKYOCIDAPGD-HNNXBMFYSA-N	-1	1	362.410	4.337	50	30		FIEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1ccc(OC(F)F)cc1OC(F)F	ZINC000007779515	527123389	/nfs/dbraw/zinc/12/33/89/527123389.db2.gz	HTKYMYGHQXQJCG-LHHJGKSTSA-N	-1	1	370.254	4.211	50	30		FIEAMM
CC1(C)CC(=O)C2C(=NC(=S)[C@@H](C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)C1	ZINC000004844154	570543078	/nfs/dbraw/zinc/54/30/78/570543078.db2.gz	VGWAAZWZWIXQIV-SWLSCSKDSA-N	-1	1	355.419	4.232	50	30		FIEAMM
C=CCSc1nnc([N-]C(=O)c2nc(-c3ccccc3)oc2C)s1	ZINC000006542410	571208530	/nfs/dbraw/zinc/20/85/30/571208530.db2.gz	VNHADYAHXYZRIZ-UHFFFAOYSA-N	-1	1	358.448	4.032	50	30		FIEAMM
C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccccc2OC)c([O-])c1	ZINC000015952641	210234265	/nfs/dbraw/zinc/23/42/65/210234265.db2.gz	RCTKUXTUNFRIHB-UHFFFAOYSA-N	-1	1	363.417	4.062	50	30		FIEAMM
C=CCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cccc(OC)c2O3)c1	ZINC000006748569	210108693	/nfs/dbraw/zinc/10/86/93/210108693.db2.gz	GKANXKVCVVRPKB-UHFFFAOYSA-N	-1	1	362.385	4.119	50	30		FIEAMM
C=CCn1c([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n[n-]c1=S	ZINC000005063601	210106307	/nfs/dbraw/zinc/10/63/07/210106307.db2.gz	GESDDPBNKYTCBA-AWEZNQCLSA-N	-1	1	364.902	4.297	50	30		FIEAMM
Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C#N)c3)c2)cs1	ZINC000013358061	211030275	/nfs/dbraw/zinc/03/02/75/211030275.db2.gz	XIYYVMDMZUEWQF-UHFFFAOYSA-N	-1	1	369.471	4.099	50	30		FIEAMM
CCO/N=C(/C)c1c([O-])c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000013122219	211024556	/nfs/dbraw/zinc/02/45/56/211024556.db2.gz	JELBDDXUKFNALO-KQWNVCNZSA-N	-1	1	362.429	4.279	50	30		FIEAMM
Cc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(Br)cc2)cc1	ZINC000100330912	222241667	/nfs/dbraw/zinc/24/16/67/222241667.db2.gz	DGYHZZAPFSGQHX-YBEGLDIGSA-N	-1	1	360.207	4.021	50	30		FIEAMM
C=CCO/N=C(\C)c1c([O-])c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000101680342	222280375	/nfs/dbraw/zinc/28/03/75/222280375.db2.gz	BLAWSDSRGLMSEA-JJIBRWJFSA-N	-1	1	374.440	4.445	50	30		FIEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccs1	ZINC000002601158	570526034	/nfs/dbraw/zinc/52/60/34/570526034.db2.gz	HKHXNMGLXSNQJA-LBPRGKRZSA-N	-1	1	374.468	4.049	50	30		FIEAMM
[O-]N=Cc1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21	ZINC000252620438	571287500	/nfs/dbraw/zinc/28/75/00/571287500.db2.gz	MEGBUZOFMDCCMS-QGZVFWFLSA-N	-1	1	360.413	4.043	50	30		FIEAMM
COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc(Cl)c1OC(F)F	ZINC000036391059	1082894403	/nfs/dbraw/zinc/89/44/03/1082894403.db2.gz	UHDVOONHOOQQRI-ACAGNQJTSA-N	-1	1	368.719	4.272	50	30		FIEAMM
C=CCN1C(=O)C(=Cc2cn([C@H](C)CC)c3ccccc23)C(=O)[N-]C1=S	ZINC000004124046	210103540	/nfs/dbraw/zinc/10/35/40/210103540.db2.gz	JMTZEFVIHVQALI-KWWJGWKXSA-N	-1	1	367.474	4.265	50	30		FIEAMM
N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc([O-])cc1	ZINC000019805695	211257167	/nfs/dbraw/zinc/25/71/67/211257167.db2.gz	IFPNWUPLRFRCRO-UHFFFAOYSA-N	-1	1	358.426	4.072	50	30		FIEAMM
[O-]c1ccc(Cl)cc1/N=C/c1cc(I)ccc1O	ZINC000001434349	210353573	/nfs/dbraw/zinc/35/35/73/210353573.db2.gz	GQVDOAXAMBDRTF-FRKPEAEDSA-N	-1	1	373.577	4.106	50	30		FIEAMM
Cc1nc(C)c(-c2nnc([N-]C(=O)c3nc4ccccc4s3)o2)s1	ZINC000049029325	526686541	/nfs/dbraw/zinc/68/65/41/526686541.db2.gz	WHTXEVKDWIAZGO-UHFFFAOYSA-N	-1	1	357.420	4.056	50	30		FIEAMM
COc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1	ZINC000103655387	570851865	/nfs/dbraw/zinc/85/18/65/570851865.db2.gz	GRSYWEYICSQHMD-FMIVXFBMSA-N	-1	1	355.337	4.067	50	30		FIEAMM
CC1(C#N)CCN(C(=O)c2cccc(-c3ccc([O-])c(Cl)c3)c2)CC1	ZINC000426405156	571220673	/nfs/dbraw/zinc/22/06/73/571220673.db2.gz	OJYRFJZPZFFFJO-UHFFFAOYSA-N	-1	1	354.837	4.478	50	30		FIEAMM
Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C1\Oc2cc([O-])ccc2C1=O	ZINC000032853630	1121515998	/nfs/dbraw/zinc/51/59/98/1121515998.db2.gz	SZPAPQHQSNUUOH-NHDPSOOVSA-N	-1	1	360.413	4.178	50	30		FIEAMM
CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1[O-]	ZINC000000665494	210260027	/nfs/dbraw/zinc/26/00/27/210260027.db2.gz	PYNPFPVRXHFVOK-UHFFFAOYSA-N	-1	1	373.202	4.016	50	30		FIEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C=NNc2ccccc2)cc1	ZINC000067317221	221251668	/nfs/dbraw/zinc/25/16/68/221251668.db2.gz	DMWDLQDRMNIIAV-RCCKNPSSSA-N	-1	1	365.458	4.242	50	30		FIEAMM
CCON=C(C)c1c([O-])c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000252613907	571285884	/nfs/dbraw/zinc/28/58/84/571285884.db2.gz	JELBDDXUKFNALO-UHFFFAOYSA-N	-1	1	362.429	4.279	50	30		FIEAMM
Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)OCO4)n2)cc1	ZINC000007778852	525786120	/nfs/dbraw/zinc/78/61/20/525786120.db2.gz	CEBRKYOCIDAPGD-OAHLLOKOSA-N	-1	1	362.410	4.337	50	30		FIEAMM
CCOC(=O)NC([N-]c1cc(F)ccc1C)(C(F)(F)F)C(F)(F)F	ZINC000002937632	570544471	/nfs/dbraw/zinc/54/44/71/570544471.db2.gz	NYERTDFFRRVKON-UHFFFAOYSA-N	-1	1	362.245	4.113	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000004312103	570584489	/nfs/dbraw/zinc/58/44/89/570584489.db2.gz	XIGUOQIINOUMRE-IBGZPJMESA-N	-1	1	374.371	4.004	50	30		FIEAMM
COc1cc(Br)cc(/C=N/c2cc(Cl)ccc2[O-])c1O	ZINC000005320483	570647445	/nfs/dbraw/zinc/64/74/45/570647445.db2.gz	MAYUTEXFMJRMFS-REZTVBANSA-N	-1	1	356.603	4.273	50	30		FIEAMM
C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(Cl)c(Cl)cc1[O-]	ZINC000328591392	571323582	/nfs/dbraw/zinc/32/35/82/571323582.db2.gz	BLZHFZWVPCISSY-UHFFFAOYSA-N	-1	1	363.200	4.414	50	30		FIEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000001234459	219391949	/nfs/dbraw/zinc/39/19/49/219391949.db2.gz	XYVLGEPGWBGRGS-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000001234459	219391953	/nfs/dbraw/zinc/39/19/53/219391953.db2.gz	XYVLGEPGWBGRGS-UHFFFAOYSA-N	-1	1	359.234	4.017	50	30		FIEAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1sc(C)c(C)c1C#N	ZINC000013482320	220069286	/nfs/dbraw/zinc/06/92/86/220069286.db2.gz	ASJASRUWLZUSCV-NSIKDUERSA-N	-1	1	373.528	4.133	50	30		FIEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2	ZINC000020533524	220331678	/nfs/dbraw/zinc/33/16/78/220331678.db2.gz	RDYSUKIAMIAUHK-PXNMLYILSA-N	-1	1	364.228	4.377	50	30		FIEAMM
CC1(C)CC(=O)C(C(=O)C=CNc2cc(Cl)ccc2Cl)=C([O-])C1	ZINC000100098423	520252086	/nfs/dbraw/zinc/25/20/86/520252086.db2.gz	BPYPJNFCKILAAX-WAYWQWQTSA-N	-1	1	354.233	4.063	50	30		FIEAMM
CC1(C)CC(=O)C2C(=NC(=S)[C@H](C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)C1	ZINC000004844156	570543016	/nfs/dbraw/zinc/54/30/16/570543016.db2.gz	VGWAAZWZWIXQIV-IUODEOHRSA-N	-1	1	355.419	4.232	50	30		FIEAMM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccco2)C1=C([O-])c1cccs1	ZINC000001050097	219359067	/nfs/dbraw/zinc/35/90/67/219359067.db2.gz	KWEAFEKYWITKJC-INIZCTEOSA-N	-1	1	351.383	4.124	50	30		FIEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccco1	ZINC000001050097	219359068	/nfs/dbraw/zinc/35/90/68/219359068.db2.gz	KWEAFEKYWITKJC-INIZCTEOSA-N	-1	1	351.383	4.124	50	30		FIEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)no1	ZINC000017245812	220212227	/nfs/dbraw/zinc/21/22/27/220212227.db2.gz	DPWRSMMXBGISFS-IBGZPJMESA-N	-1	1	374.396	4.074	50	30		FIEAMM
COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)cc(Cl)c1OC(F)F	ZINC000096930464	222142214	/nfs/dbraw/zinc/14/22/14/222142214.db2.gz	UHDVOONHOOQQRI-WLRTZDKTSA-N	-1	1	368.719	4.272	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000104124503	222349561	/nfs/dbraw/zinc/34/95/61/222349561.db2.gz	SEERVJRHIZOEMS-YDJIHCHBSA-N	-1	1	373.383	4.452	50	30		FIEAMM
C=CCSc1nnc([N-]C(=O)c2c(C)noc2-c2ccccc2)s1	ZINC000035671477	519088655	/nfs/dbraw/zinc/08/86/55/519088655.db2.gz	XDWNONOFMKOKLK-UHFFFAOYSA-N	-1	1	358.448	4.032	50	30		FIEAMM
Cc1n[n-]c(=S)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000006056443	570640519	/nfs/dbraw/zinc/64/05/19/570640519.db2.gz	ZJRRGJAWDDLCKJ-VXLYETTFSA-N	-1	1	358.854	4.364	50	30		FIEAMM
C=CCn1c([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n[n-]c1=S	ZINC000005063604	571102745	/nfs/dbraw/zinc/10/27/45/571102745.db2.gz	GESDDPBNKYTCBA-CQSZACIVSA-N	-1	1	364.902	4.297	50	30		FIEAMM
CC(C)n1cc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc21	ZINC000072404098	571141535	/nfs/dbraw/zinc/14/15/35/571141535.db2.gz	YMROTPLBZLHDOQ-UHFFFAOYSA-N	-1	1	351.332	4.190	50	30		FIEAMM
CCc1c(C)sc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)c1C#N	ZINC000002740343	571146122	/nfs/dbraw/zinc/14/61/22/571146122.db2.gz	BLKFCSMIWBSHTK-UHFFFAOYSA-N	-1	1	360.307	4.438	50	30		FIEAMM
O=c1[n-]c(NN=Cc2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2	ZINC000004786336	571236152	/nfs/dbraw/zinc/23/61/52/571236152.db2.gz	RXYRKPOLEVRXMD-BUVRLJJBSA-N	-1	1	370.456	4.251	50	30		FIEAMM
CCCCCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[n-]c1=O	ZINC000002374642	571320057	/nfs/dbraw/zinc/32/00/57/571320057.db2.gz	CYTXMRFCJPRIAQ-UHFFFAOYSA-N	-1	1	356.466	4.192	50	30		FIEAMM
CN(Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2	ZINC000020519050	220331967	/nfs/dbraw/zinc/33/19/67/220331967.db2.gz	ZYBHPSDDIOOJIH-BKUYFWCQSA-N	-1	1	372.424	4.035	50	30		FIEAMM
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1	ZINC000022344572	220384369	/nfs/dbraw/zinc/38/43/69/220384369.db2.gz	AROSCZBHTYEEIQ-FNORWQNLSA-N	-1	1	360.207	4.009	50	30		FIEAMM
CCCCOc1ccccc1NC(=CC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000003623633	263330656	/nfs/dbraw/zinc/33/06/56/263330656.db2.gz	MOMAVBDWZFQOLR-NBVRZTHBSA-N	-1	1	353.418	4.437	50	30		FIEAMM
COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(Cl)c1OC	ZINC000046706652	522174456	/nfs/dbraw/zinc/17/44/56/522174456.db2.gz	YQOXBPGBRGIELF-NSHDSACASA-N	-1	1	372.833	4.457	50	30		FIEAMM
O=C1c2ccc([O-])cc2CC/C1=C\c1cnn(-c2ccc(Cl)cc2)c1	ZINC000058411370	571132536	/nfs/dbraw/zinc/13/25/36/571132536.db2.gz	HIIOGWQHNFZZMJ-OQLLNIDSSA-N	-1	1	350.805	4.444	50	30		FIEAMM
CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc([O-])c(Cl)c2)CC(=O)O3)C1=O	ZINC000217910305	571351522	/nfs/dbraw/zinc/35/15/22/571351522.db2.gz	CBIXLPYQLJTDRU-GFCCVEGCSA-N	-1	1	370.788	4.356	50	30	biogenic	FIEAMM
CN(Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2	ZINC000020519355	523341958	/nfs/dbraw/zinc/34/19/58/523341958.db2.gz	SZFZDBMNGLIXNL-MTJSOVHGSA-N	-1	1	372.424	4.035	50	30		FIEAMM
S=c1[n-]nc(NN=Cc2ccccc2OCc2ccccc2Cl)[nH]1	ZINC000253470688	526388231	/nfs/dbraw/zinc/38/82/31/526388231.db2.gz	OVORHOAHSLROKJ-UHFFFAOYSA-N	-1	1	359.842	4.146	50	30		FIEAMM
Cc1ccccc1NC(=O)c1nc[n-]c1C(=O)Nc1ccc(Cl)cc1	ZINC000004978921	1086430917	/nfs/dbraw/zinc/43/09/17/1086430917.db2.gz	OTKRCIKLAJKMEZ-UHFFFAOYSA-N	-1	1	354.797	4.260	50	30		FIEAMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Nc3ccccc3C(=O)N2[O-])o1	ZINC000000651707	219309467	/nfs/dbraw/zinc/30/94/67/219309467.db2.gz	RGOSQAVXTWDXKA-SFHVURJKSA-N	-1	1	365.345	4.119	50	30		FIEAMM
CN1C2=C(C(=O)CCC2)C(c2ccc([O-])c(Cl)c2)C2=C1CCCC2=O	ZINC000000780221	219320226	/nfs/dbraw/zinc/32/02/26/219320226.db2.gz	JEPPAMVCEIZIQD-UHFFFAOYSA-N	-1	1	357.837	4.089	50	30		FIEAMM
O=C1CCCC(=O)C1=N[N-]c1c(Cl)cc(C(F)(F)F)cc1Cl	ZINC000001043858	219357515	/nfs/dbraw/zinc/35/75/15/219357515.db2.gz	DYKVUHQACFDAPI-UHFFFAOYSA-N	-1	1	353.127	4.102	50	30		FIEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1ccc(F)cc1	ZINC000018167806	220225419	/nfs/dbraw/zinc/22/54/19/220225419.db2.gz	TVWFYXULZNOFOG-CYBMUJFWSA-N	-1	1	371.437	4.184	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1	ZINC000102925528	222313050	/nfs/dbraw/zinc/31/30/50/222313050.db2.gz	WAZBIZRDEGJKCF-NHFXJNLRSA-N	-1	1	373.383	4.452	50	30		FIEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccccc2O)cc1	ZINC000101447975	570820395	/nfs/dbraw/zinc/82/03/95/570820395.db2.gz	JNCMWKMAZZCNJN-KGENOOAVSA-N	-1	1	366.442	4.252	50	30		FIEAMM
Cc1ccc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000003907094	571353182	/nfs/dbraw/zinc/35/31/82/571353182.db2.gz	SOWOEMHGWPBDRP-AWEZNQCLSA-N	-1	1	367.474	4.354	50	30		FIEAMM
CC(=O)Nc1cccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1	ZINC000096766887	222129574	/nfs/dbraw/zinc/12/95/74/222129574.db2.gz	AROSCZBHTYEEIQ-ALCCZGGFSA-N	-1	1	360.207	4.009	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1	ZINC000104130208	222349753	/nfs/dbraw/zinc/34/97/53/222349753.db2.gz	BBAYGBXOSDVSBC-NHFXJNLRSA-N	-1	1	373.383	4.452	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc(F)c1)c1ccccc1	ZINC000009087944	570691181	/nfs/dbraw/zinc/69/11/81/570691181.db2.gz	WQPJTSPKZZGEFA-LJQANCHMSA-N	-1	1	374.371	4.004	50	30		FIEAMM
O=C([O-])c1cccc(N=Cc2cc(Br)cc(Cl)c2O)c1	ZINC000252643170	571292124	/nfs/dbraw/zinc/29/21/24/571292124.db2.gz	ZSZYFUXVSQRWKU-UHFFFAOYSA-N	-1	1	354.587	4.257	50	30		FIEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2	ZINC000020533286	220330858	/nfs/dbraw/zinc/33/08/58/220330858.db2.gz	CKHSZRZJPOCIOT-PXNMLYILSA-N	-1	1	364.228	4.377	50	30		FIEAMM
O=C1c2cc(Cl)ccc2O/C1=C\c1ccc([O-])c(Br)c1	ZINC000299738274	527120931	/nfs/dbraw/zinc/12/09/31/527120931.db2.gz	PUAQPPGLBZKHAE-NSIKDUERSA-N	-1	1	351.583	4.424	50	30		FIEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000005593781	570631586	/nfs/dbraw/zinc/63/15/86/570631586.db2.gz	FVRYMKDHGYPBNP-IBGZPJMESA-N	-1	1	374.371	4.004	50	30		FIEAMM
COc1ccc(N=C2S/C(=C\c3ccc([O-])c(Cl)c3)C(=O)N2C)cc1	ZINC000252620268	571287493	/nfs/dbraw/zinc/28/74/93/571287493.db2.gz	MAORBJNTYAZFIF-UDIJICLVSA-N	-1	1	374.849	4.288	50	30		FIEAMM
O=[N+]([O-])c1ccc2c(ccc([O-])c2C=Nc2cccc3nsnc32)c1	ZINC000252621918	571288247	/nfs/dbraw/zinc/28/82/47/571288247.db2.gz	NKCMLZZKHNRMDG-UHFFFAOYSA-N	-1	1	350.359	4.209	50	30		FIEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)s2)c(=O)o1	ZINC000101006957	1102224866	/nfs/dbraw/zinc/22/48/66/1102224866.db2.gz	DMXONLDRYUZPGO-JHTBKMLMSA-N	-1	1	372.829	4.297	50	30		FIEAMM
COc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1	ZINC000100560905	222246379	/nfs/dbraw/zinc/24/63/79/222246379.db2.gz	GRSYWEYICSQHMD-XFXZXTDPSA-N	-1	1	355.337	4.067	50	30		FIEAMM
CN(C)c1ccc(/C=N/c2ccc(NC(=O)c3ccccc3[O-])cc2)cc1	ZINC000001041840	570475330	/nfs/dbraw/zinc/47/53/30/570475330.db2.gz	KXHZVLQPYZNPPH-HZHRSRAPSA-N	-1	1	359.429	4.461	50	30		FIEAMM
N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000001438243	571102702	/nfs/dbraw/zinc/10/27/02/571102702.db2.gz	IPPMBINOQMNRQM-UHFFFAOYSA-N	-1	1	362.410	4.006	50	30		FIEAMM
C=CCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(F)ccc2O3)c1	ZINC000006748557	571244799	/nfs/dbraw/zinc/24/47/99/571244799.db2.gz	TZAXIUVTNCZUDE-UHFFFAOYSA-N	-1	1	350.349	4.250	50	30		FIEAMM