smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c([O-])cc(Cl)cc1Cl	ZINC000826447950	607463665	/nfs/dbraw/zinc/46/36/65/607463665.db2.gz	BWQGWMGBJMZQJS-UHFFFAOYSA-N	-2	0	365.180	2.636	20	50		FFGDRL
O=C([O-])Nc1cccc(CC(=O)N[N-]C(=O)c2cc3ccccc3o2)c1	ZINC000834267207	605804066	/nfs/dbraw/zinc/80/40/66/605804066.db2.gz	RDQDOIIEHRNDQM-UHFFFAOYSA-N	-2	0	353.334	2.526	20	50		FFGDRL
O=C([O-])CCc1cccc(NC(=O)N[N-]C(=O)c2cc3ccccc3o2)c1	ZINC001595064130	951533625	/nfs/dbraw/zinc/53/36/25/951533625.db2.gz	BLSKLZRDLDAHOX-UHFFFAOYSA-N	-2	0	367.361	2.917	20	50		FFGDRL
Cc1nc([N-]S(=O)(=O)c2ccc(CCCl)cc2)sc1C(=O)[O-]	ZINC000738865474	978605780	/nfs/dbraw/zinc/60/57/80/978605780.db2.gz	PHWWNEHZXXFIOT-UHFFFAOYSA-N	-2	0	360.844	2.732	20	50		FFGDRL
O=C([O-])C[C@H]1CCCN(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)C1	ZINC000819365088	955443153	/nfs/dbraw/zinc/44/31/53/955443153.db2.gz	QACUFCCANRNMSX-SECBINFHSA-N	-2	0	374.224	2.535	20	50		FFGDRL
CCc1[nH]c(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)c(C)c1C(=O)[O-]	ZINC000830196876	601799065	/nfs/dbraw/zinc/79/90/65/601799065.db2.gz	OMAPLDLXRYEYST-UHFFFAOYSA-N	-2	0	362.333	2.816	20	50		FFGDRL
O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N[N-]C(=O)c1cc3ccccc3o1)C2	ZINC000831308153	603497340	/nfs/dbraw/zinc/49/73/40/603497340.db2.gz	LVNQQBSRUKFOLC-QXMXGUDHSA-N	-2	0	371.393	2.505	20	50		FFGDRL
O=C([O-])Cc1ccccc1NC(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC001595136573	952057443	/nfs/dbraw/zinc/05/74/43/952057443.db2.gz	ONZJFHLMZNCBTL-UHFFFAOYSA-N	-2	0	353.334	2.526	20	50		FFGDRL
Cc1[nH]c(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)c(C)c1C(=O)[O-]	ZINC000738158276	978488437	/nfs/dbraw/zinc/48/84/37/978488437.db2.gz	XYQQBLHYOCFYCH-UHFFFAOYSA-N	-2	0	370.192	2.711	20	50		FFGDRL
O=C([O-])Nc1cc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)ccc1F	ZINC000832820776	603498123	/nfs/dbraw/zinc/49/81/23/603498123.db2.gz	NTZCDFHGXRDWRI-UHFFFAOYSA-N	-2	0	357.297	2.737	20	50		FFGDRL
O=C([O-])c1cccc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)c1	ZINC000740216586	955258384	/nfs/dbraw/zinc/25/83/84/955258384.db2.gz	QVWVVMFNSBUHBN-UHFFFAOYSA-N	-2	0	358.741	2.845	20	50		FFGDRL
C[C@H](Oc1ccc(C=NNC(=O)c2ccc([O-])c(Cl)c2)cc1)C(=O)[O-]	ZINC000794912523	978828351	/nfs/dbraw/zinc/82/83/51/978828351.db2.gz	GXOHBPNYIVRAPZ-JTQLQIEISA-N	-2	0	362.769	2.661	20	50		FFGDRL
C[C@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824680623	604350027	/nfs/dbraw/zinc/35/00/27/604350027.db2.gz	XOWPXTHJNRDONM-OCCSQVGLSA-N	-2	0	373.413	2.596	20	50		FFGDRL
O=C([O-])C1(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)CCCCCC1	ZINC001574578270	962085567	/nfs/dbraw/zinc/08/55/67/962085567.db2.gz	CJMAOERYVYHILO-UHFFFAOYSA-N	-2	0	371.393	2.528	20	50		FFGDRL
O=C([O-])c1ccc(NC(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)cc1	ZINC000831736499	603823710	/nfs/dbraw/zinc/82/37/10/603823710.db2.gz	NFFMVOFIHOWQAD-UHFFFAOYSA-N	-2	0	368.349	2.581	20	50		FFGDRL
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl	ZINC001594783193	953652901	/nfs/dbraw/zinc/65/29/01/953652901.db2.gz	VFPFGXUURURTAD-JGVFFNPUSA-N	-2	0	370.789	2.566	20	50		FFGDRL
O=C([O-])/C=C/c1cc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)co1	ZINC001606064782	973204581	/nfs/dbraw/zinc/20/45/81/973204581.db2.gz	PXMPDCLHBQQKJF-SNAWJCMRSA-N	-2	0	369.160	2.759	20	50		FFGDRL
C[C@H](CC(=O)N[N-]C(=O)c1cc2ccccc2o1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824670727	604390537	/nfs/dbraw/zinc/39/05/37/604390537.db2.gz	AJSLJZZDBLIGPF-OCCSQVGLSA-N	-2	0	373.409	2.610	20	50		FFGDRL
O=C([O-])[C@H](C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1)C1CCCC1	ZINC000852944643	969293752	/nfs/dbraw/zinc/29/37/52/969293752.db2.gz	PIZNSWQSRPHNBZ-LBPRGKRZSA-N	-2	0	364.789	2.724	20	50		FFGDRL
O=C([O-])c1ccccc1NC(=O)N[N-]C(=O)c1cc(-c2ccccc2)on1	ZINC001605815377	972543472	/nfs/dbraw/zinc/54/34/72/972543472.db2.gz	HPOGTBAOOPXPLX-UHFFFAOYSA-N	-2	0	366.333	2.506	20	50		FFGDRL
O=C([O-])Nc1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)c(O)c1	ZINC000832839348	603483213	/nfs/dbraw/zinc/48/32/13/603483213.db2.gz	VPHOUABSOHKRSX-UHFFFAOYSA-N	-2	0	362.289	2.714	20	50		FFGDRL
O=C([O-])Nc1ccc(CC(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1	ZINC000832841665	603498315	/nfs/dbraw/zinc/49/83/15/603498315.db2.gz	KFJOIYCZVAEIEY-UHFFFAOYSA-N	-2	0	353.334	2.526	20	50		FFGDRL
C[C@@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824680622	604350114	/nfs/dbraw/zinc/35/01/14/604350114.db2.gz	XOWPXTHJNRDONM-JSGCOSHPSA-N	-2	0	373.413	2.596	20	50		FFGDRL
CCCc1c(C(=O)NN=c2[n-]c(-c3ccccc3)no2)[nH]c(C)c1C(=O)[O-]	ZINC000737043105	978375268	/nfs/dbraw/zinc/37/52/68/978375268.db2.gz	HAJXDBATOJZAGN-UHFFFAOYSA-N	-2	0	369.381	2.781	20	50		FFGDRL
C[C@H]1CCc2sc(C(=O)N[N-]C(=O)c3ccc(/C=C/C(=O)[O-])o3)cc2C1	ZINC001594451308	999650302	/nfs/dbraw/zinc/65/03/02/999650302.db2.gz	ZRSAHIOBRJMPKU-QBBOHKLWSA-N	-2	0	374.418	2.639	20	50		FFGDRL
O=C([O-])Nc1ccccc1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)on1	ZINC000740045780	978665029	/nfs/dbraw/zinc/66/50/29/978665029.db2.gz	KKFQKUJKKDRFPQ-UHFFFAOYSA-N	-2	0	366.333	2.506	20	50		FFGDRL
O=C([O-])c1ccc(NC(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1	ZINC000833149638	600724638	/nfs/dbraw/zinc/72/46/38/600724638.db2.gz	XJXNOMNWLKDUNF-UHFFFAOYSA-N	-2	0	366.333	2.720	20	50		FFGDRL
O=C([O-])NC[C@@H](C(=O)NN=c1[n-]c(C(F)(F)F)cs1)c1ccccc1	ZINC000832408308	603483063	/nfs/dbraw/zinc/48/30/63/603483063.db2.gz	QOVXHKHZOQATQL-SECBINFHSA-N	-2	0	374.344	2.656	20	50		FFGDRL
O=C([O-])[C@@H]1CC[C@H]1C(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl	ZINC001574579110	962096276	/nfs/dbraw/zinc/09/62/76/962096276.db2.gz	VFPFGXUURURTAD-HTQZYQBOSA-N	-2	0	370.789	2.566	20	50		FFGDRL
CC(C)[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl	ZINC001588807620	961482742	/nfs/dbraw/zinc/48/27/42/961482742.db2.gz	CQTHDCWSGJERAQ-SNVBAGLBSA-N	-2	0	372.805	2.812	20	50		FFGDRL
CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1ccc(COc2ccccc2)o1	ZINC000833454645	605097585	/nfs/dbraw/zinc/09/75/85/605097585.db2.gz	QKWHZTILPWOELT-UHFFFAOYSA-N	-2	0	374.393	2.511	20	50		FFGDRL
O=C([O-])C=Cc1cc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)co1	ZINC001594968300	955079677	/nfs/dbraw/zinc/07/96/77/955079677.db2.gz	NKXLSMCVPJTCMH-AATRIKPKSA-N	-2	0	374.740	2.838	20	50		FFGDRL
CC(C)(C)[C@H](C(=O)[O-])C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000852944070	969293243	/nfs/dbraw/zinc/29/32/43/969293243.db2.gz	ITTDQEMQNFWWGF-JTQLQIEISA-N	-2	0	352.778	2.580	20	50		FFGDRL
CC(C)C[C@H](NC(=O)[O-])C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000736417585	978332636	/nfs/dbraw/zinc/33/26/36/978332636.db2.gz	WOFAPUYIAAXNPX-NSHDSACASA-N	-2	0	367.793	2.515	20	50		FFGDRL
CCCc1c(C(=O)N[N-]C(=O)c2cc3ccccc3o2)[nH]c(C)c1C(=O)[O-]	ZINC000829557252	601325000	/nfs/dbraw/zinc/32/50/00/601325000.db2.gz	ZQOCUUOJUKXQPV-UHFFFAOYSA-N	-2	0	369.377	2.795	20	50		FFGDRL
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)CCCCC(=O)[O-]	ZINC000814858283	978894037	/nfs/dbraw/zinc/89/40/37/978894037.db2.gz	RUZHNMMJNCDJCP-JTQLQIEISA-N	-2	0	351.359	2.687	20	50		FFGDRL
C[C@@H]1CCc2sc(C(=O)N[N-]C(=O)c3ccc(/C=C/C(=O)[O-])o3)cc2C1	ZINC001594451307	999650232	/nfs/dbraw/zinc/65/02/32/999650232.db2.gz	ZRSAHIOBRJMPKU-LJJSCBMDSA-N	-2	0	374.418	2.639	20	50		FFGDRL
O=C([O-])N[C@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)c1ccccc1	ZINC000834127705	605610005	/nfs/dbraw/zinc/61/00/05/605610005.db2.gz	RUUDJLDWXDTNKP-CQSZACIVSA-N	-2	0	367.365	2.579	20	50		FFGDRL
O=C([O-])[C@@H](C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1)C1CCCC1	ZINC000852944642	969293943	/nfs/dbraw/zinc/29/39/43/969293943.db2.gz	PIZNSWQSRPHNBZ-GFCCVEGCSA-N	-2	0	364.789	2.724	20	50		FFGDRL
C[C@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)C1CCN(C(=O)[O-])CC1	ZINC000824680273	604874562	/nfs/dbraw/zinc/87/45/62/604874562.db2.gz	SUGRXTXBVCZLHP-GFCCVEGCSA-N	-2	0	373.413	2.596	20	50		FFGDRL
O=C([O-])C=Cc1cc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)co1	ZINC001594968301	955079502	/nfs/dbraw/zinc/07/95/02/955079502.db2.gz	NKXLSMCVPJTCMH-WAYWQWQTSA-N	-2	0	374.740	2.838	20	50		FFGDRL
O=C([O-])C[C@@H]1CCCN(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)C1	ZINC000819365089	955443367	/nfs/dbraw/zinc/44/33/67/955443367.db2.gz	QACUFCCANRNMSX-VIFPVBQESA-N	-2	0	374.224	2.535	20	50		FFGDRL
O=C([O-])[C@H](N[N-]C(=O)C(F)(F)Oc1ccccc1)c1cccc(Cl)c1	ZINC000833170563	600753184	/nfs/dbraw/zinc/75/31/84/600753184.db2.gz	YILKIRHXUAYSRR-CYBMUJFWSA-N	-2	0	370.739	2.758	20	50		FFGDRL
O=C([O-])CCCC(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl	ZINC001595027874	951358593	/nfs/dbraw/zinc/35/85/93/951358593.db2.gz	TZTYIVXNDFAGAQ-UHFFFAOYSA-N	-2	0	358.778	2.710	20	50		FFGDRL
CCC(CC)(C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(COc2ccccc2)o1	ZINC001573784620	960730741	/nfs/dbraw/zinc/73/07/41/960730741.db2.gz	HVNKOIIKGVODJM-UHFFFAOYSA-N	-2	0	374.393	2.511	20	50		FFGDRL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)s1	ZINC000740109599	978669613	/nfs/dbraw/zinc/66/96/13/978669613.db2.gz	HGALXDHJZROGFQ-UHFFFAOYSA-N	-2	0	364.770	2.907	20	50		FFGDRL
C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC000833832378	605318313	/nfs/dbraw/zinc/31/83/13/605318313.db2.gz	VRGBERPMODVCAN-JVXZTZIISA-N	-2	0	366.365	2.822	20	50		FFGDRL
C[C@@H](CC(=O)N[N-]C(=O)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824670722	604390709	/nfs/dbraw/zinc/39/07/09/604390709.db2.gz	AJSLJZZDBLIGPF-GXTWGEPZSA-N	-2	0	373.409	2.610	20	50		FFGDRL
C[C@H](CC(=O)N[N-]C(=O)c1cc2ccccc2o1)C1CCN(C(=O)[O-])CC1	ZINC000824672238	604887113	/nfs/dbraw/zinc/88/71/13/604887113.db2.gz	UHJKAPVTBKWKBD-GFCCVEGCSA-N	-2	0	373.409	2.610	20	50		FFGDRL
CC(C)[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl	ZINC001588807619	961481938	/nfs/dbraw/zinc/48/19/38/961481938.db2.gz	CQTHDCWSGJERAQ-JTQLQIEISA-N	-2	0	372.805	2.812	20	50		FFGDRL
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000852944071	969293308	/nfs/dbraw/zinc/29/33/08/969293308.db2.gz	ITTDQEMQNFWWGF-SNVBAGLBSA-N	-2	0	352.778	2.580	20	50		FFGDRL
C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl	ZINC001592359726	977843344	/nfs/dbraw/zinc/84/33/44/977843344.db2.gz	KPIRSJHISOIWIL-ZCFIWIBFSA-N	-2	0	358.778	2.566	20	50		FFGDRL
O=C([O-])[C@@H]1CCC[C@H](C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)C1	ZINC000833184244	600948536	/nfs/dbraw/zinc/94/85/36/600948536.db2.gz	ORUHZZVUIXOZSQ-WDEREUQCSA-N	-2	0	364.789	2.724	20	50		FFGDRL
O=C([O-])NCc1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1	ZINC000832702733	603483081	/nfs/dbraw/zinc/48/30/81/603483081.db2.gz	VTNBGSTVEVOGQX-UHFFFAOYSA-N	-2	0	360.317	2.686	20	50		FFGDRL
C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC000833832380	605318195	/nfs/dbraw/zinc/31/81/95/605318195.db2.gz	VRGBERPMODVCAN-KRTXAFLBSA-N	-2	0	366.365	2.822	20	50		FFGDRL
O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)cc1F	ZINC000834271520	606066673	/nfs/dbraw/zinc/06/66/73/606066673.db2.gz	BIQWYJRQQFTNAX-UHFFFAOYSA-N	-2	0	365.748	2.573	20	50		FFGDRL
O=C([O-])c1ccccc1CC(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC001594709693	956866929	/nfs/dbraw/zinc/86/69/29/956866929.db2.gz	HFDDNUQIKZDERF-UHFFFAOYSA-N	-2	0	372.768	2.774	20	50		FFGDRL
O=C([O-])Nc1cccc(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)c1	ZINC000740033958	978664095	/nfs/dbraw/zinc/66/40/95/978664095.db2.gz	PUYBEGFSUJZALC-UHFFFAOYSA-N	-2	0	366.333	2.506	20	50		FFGDRL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)cc1	ZINC000740109926	955257599	/nfs/dbraw/zinc/25/75/99/955257599.db2.gz	NDETWSYIBVUMHN-UHFFFAOYSA-N	-2	0	358.741	2.845	20	50		FFGDRL
O=C([O-])c1ccc2c(c1)CN(C(=O)N[N-]C(=O)c1cc3ccccc3o1)C2	ZINC000833325624	601457438	/nfs/dbraw/zinc/45/74/38/601457438.db2.gz	WDJJKCFWZAVTDM-UHFFFAOYSA-N	-2	0	365.345	2.501	20	50		FFGDRL
O=C([O-])N1CCc2cccc(C=NNC(=O)c3ccc([O-])c(Cl)c3)c21	ZINC000831736527	603823749	/nfs/dbraw/zinc/82/37/49/603823749.db2.gz	OARDVQIGOOHSSL-UHFFFAOYSA-N	-2	0	359.769	2.850	20	50		FFGDRL
O=C([O-])N[C@@H]1CC(=NNC(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000834158039	605745531	/nfs/dbraw/zinc/74/55/31/605745531.db2.gz	OSPGBTRKCNKZHK-CQSZACIVSA-N	-2	0	368.349	2.623	20	50		FFGDRL
C[C@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl	ZINC001592359723	977843383	/nfs/dbraw/zinc/84/33/83/977843383.db2.gz	KPIRSJHISOIWIL-LURJTMIESA-N	-2	0	358.778	2.566	20	50		FFGDRL
CC(C)C[C@@H](NC(=O)[O-])C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000736417584	978332748	/nfs/dbraw/zinc/33/27/48/978332748.db2.gz	WOFAPUYIAAXNPX-LLVKDONJSA-N	-2	0	367.793	2.515	20	50		FFGDRL
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000738166589	978492433	/nfs/dbraw/zinc/49/24/33/978492433.db2.gz	PFEPQVCCQKKPRE-UHFFFAOYSA-N	-2	0	370.192	2.711	20	50		FFGDRL
O=C([O-])c1ccc(CCC(=O)NN=c2[n-]c(-c3ccccc3)no2)cc1	ZINC000739256513	978625495	/nfs/dbraw/zinc/62/54/95/978625495.db2.gz	XSSUKYUTTNAGCR-UHFFFAOYSA-N	-2	0	352.350	2.511	20	50		FFGDRL
O=C([O-])c1ccc(CCC(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1	ZINC000833102241	601799587	/nfs/dbraw/zinc/79/95/87/601799587.db2.gz	OONLEQCZPPXJKC-UHFFFAOYSA-N	-2	0	359.329	2.936	20	50		FFGDRL
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2[O-])ccc1NC(=O)[O-]	ZINC000829961957	605807215	/nfs/dbraw/zinc/80/72/15/605807215.db2.gz	QETHYOHDZIBBCT-UHFFFAOYSA-N	-2	0	363.757	2.519	20	50		FFGDRL
O=C([O-])Nc1cccc(CC(=O)NN=c2[n-]c(-c3ccccc3)no2)c1	ZINC000834267450	605828475	/nfs/dbraw/zinc/82/84/75/605828475.db2.gz	YEGROPFPAQDZNP-UHFFFAOYSA-N	-2	0	353.338	2.512	20	50		FFGDRL
COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001599376938	998502256	/nfs/dbraw/zinc/50/22/56/998502256.db2.gz	WTYBUZQNZJJRGY-UHFFFAOYSA-N	-2	0	354.721	2.648	20	50		FFGDRL
O=C([O-])[C@@H](N[N-]C(=O)C(F)(F)Oc1ccccc1)c1cccc(Cl)c1	ZINC000833170565	600753219	/nfs/dbraw/zinc/75/32/19/600753219.db2.gz	YILKIRHXUAYSRR-ZDUSSCGKSA-N	-2	0	370.739	2.758	20	50		FFGDRL
O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(CCCCl)cc1	ZINC000833347064	602156321	/nfs/dbraw/zinc/15/63/21/602156321.db2.gz	TUTLHQCZSKNWFN-UHFFFAOYSA-N	-2	0	360.844	2.814	20	50		FFGDRL
Cc1ccc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1NC(=O)[O-]	ZINC000830225716	603495728	/nfs/dbraw/zinc/49/57/28/603495728.db2.gz	VDYVTWNHBCXBHO-UHFFFAOYSA-N	-2	0	353.334	2.906	20	50		FFGDRL
Cc1cc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)ccc1NC(=O)[O-]	ZINC000829962202	605708263	/nfs/dbraw/zinc/70/82/63/605708263.db2.gz	WGKREWZBDKANPP-UHFFFAOYSA-N	-2	0	353.334	2.906	20	50		FFGDRL
O=C([O-])Nc1ccccc1CC(=O)NN=c1[n-]c(-c2ccccc2)no1	ZINC000834274431	606061148	/nfs/dbraw/zinc/06/11/48/606061148.db2.gz	MGXLPUMKCIYXGQ-UHFFFAOYSA-N	-2	0	353.338	2.512	20	50		FFGDRL
O=C([O-])c1ncccc1NC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001594782683	953646758	/nfs/dbraw/zinc/64/67/58/953646758.db2.gz	GNDFQOQLTBENMB-UHFFFAOYSA-N	-2	0	369.164	2.553	20	50		FFGDRL
C[C@@H](Oc1ccc(C=NNC(=O)c2ccc([O-])c(Cl)c2)cc1)C(=O)[O-]	ZINC000794912525	978828286	/nfs/dbraw/zinc/82/82/86/978828286.db2.gz	GXOHBPNYIVRAPZ-SNVBAGLBSA-N	-2	0	362.769	2.661	20	50		FFGDRL
Cc1ccc(C(=O)[O-])cc1NC(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000832914671	601271480	/nfs/dbraw/zinc/27/14/80/601271480.db2.gz	DIDDZVZMDVMMCZ-UHFFFAOYSA-N	-2	0	353.334	2.906	20	50		FFGDRL
Cc1ccc(C(=O)NN=c2[n-]c(-c3ccccc3)no2)cc1NC(=O)[O-]	ZINC000830225395	602902704	/nfs/dbraw/zinc/90/27/04/602902704.db2.gz	LWTCTSKPRHILHI-UHFFFAOYSA-N	-2	0	353.338	2.892	20	50		FFGDRL
O=C([O-])Nc1ccc(CC(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1	ZINC000832840701	603483117	/nfs/dbraw/zinc/48/31/17/603483117.db2.gz	BMHCUZHJBWVHAF-UHFFFAOYSA-N	-2	0	360.317	2.938	20	50		FFGDRL
O=C([O-])NC[C@H](C(=O)NN=c1[n-]c(C(F)(F)F)cs1)c1ccccc1	ZINC000832408311	603483232	/nfs/dbraw/zinc/48/32/32/603483232.db2.gz	QOVXHKHZOQATQL-VIFPVBQESA-N	-2	0	374.344	2.656	20	50		FFGDRL
C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC000833832376	605318163	/nfs/dbraw/zinc/31/81/63/605318163.db2.gz	VRGBERPMODVCAN-JMCQJSRRSA-N	-2	0	366.365	2.822	20	50		FFGDRL
Cc1ccc(C(=O)[N-]NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)o1	ZINC000832912189	602028867	/nfs/dbraw/zinc/02/88/67/602028867.db2.gz	XIKXUCVVXPSBIN-UHFFFAOYSA-N	-2	0	371.271	2.772	20	50		FFGDRL
O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(CCCl)cc2)n1	ZINC000833243807	604623149	/nfs/dbraw/zinc/62/31/49/604623149.db2.gz	LNCQNBNKNUJZOX-UHFFFAOYSA-N	-2	0	374.871	2.742	20	50		FFGDRL
O=C([O-])c1cncc(NC(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)c1	ZINC001605815266	972541292	/nfs/dbraw/zinc/54/12/92/972541292.db2.gz	AKNIBRSHOOZEEE-UHFFFAOYSA-N	-2	0	369.164	2.553	20	50		FFGDRL
C[C@H]1CCc2sc(C(=O)N[N-]C(=O)c3ccc(/C=C\C(=O)[O-])o3)cc2C1	ZINC001594451309	999650260	/nfs/dbraw/zinc/65/02/60/999650260.db2.gz	ZRSAHIOBRJMPKU-VAWSOJLPSA-N	-2	0	374.418	2.639	20	50		FFGDRL
C[C@@H](CC(=O)N[N-]C(=O)c1cc2ccccc2o1)C1CCN(C(=O)[O-])CC1	ZINC000824672239	604887267	/nfs/dbraw/zinc/88/72/67/604887267.db2.gz	UHJKAPVTBKWKBD-LBPRGKRZSA-N	-2	0	373.409	2.610	20	50		FFGDRL
Cc1ccc(C(=O)[O-])cc1NC(=O)NNC(=O)c1ccc([O-])c(Cl)c1	ZINC000738535754	978552403	/nfs/dbraw/zinc/55/24/03/978552403.db2.gz	PMWCPQTXPCNUSK-UHFFFAOYSA-N	-2	0	363.757	2.519	20	50		FFGDRL
O=C([O-])[C@H]1CCC[C@@H](C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)C1	ZINC000833184242	600948473	/nfs/dbraw/zinc/94/84/73/600948473.db2.gz	ORUHZZVUIXOZSQ-MNOVXSKESA-N	-2	0	364.789	2.724	20	50		FFGDRL
O=C([O-])C1(CNC(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)CCCC1	ZINC000833135796	601415163	/nfs/dbraw/zinc/41/51/63/601415163.db2.gz	IRIHJVARAUPATM-UHFFFAOYSA-N	-2	0	374.224	2.582	20	50		FFGDRL
O=C([O-])[C@H]1CCC[C@H](C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)C1	ZINC000833184243	600948561	/nfs/dbraw/zinc/94/85/61/600948561.db2.gz	ORUHZZVUIXOZSQ-QWRGUYRKSA-N	-2	0	364.789	2.724	20	50		FFGDRL
O=C([O-])N1CCC[C@H]1CCC(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC000833999083	605568127	/nfs/dbraw/zinc/56/81/27/605568127.db2.gz	ZBZKVOIRRXIDNO-ZETCQYMHSA-N	-2	0	352.338	2.528	20	50		FFGDRL
O=C([O-])[C@]1(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)CC=CCC1	ZINC000846706392	955711586	/nfs/dbraw/zinc/71/15/86/955711586.db2.gz	YFOFODLDXRWPMT-MRXNPFEDSA-N	-2	0	362.773	2.644	20	50		FFGDRL
C[C@@H](CC(=O)N[N-]C(=O)c1cc2ccccc2o1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824670725	604390559	/nfs/dbraw/zinc/39/05/59/604390559.db2.gz	AJSLJZZDBLIGPF-JSGCOSHPSA-N	-2	0	373.409	2.610	20	50		FFGDRL
CC(=NNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(OCC(=O)[O-])cc1	ZINC000736127680	978304714	/nfs/dbraw/zinc/30/47/14/978304714.db2.gz	XAAXHYMRYRKHIN-UHFFFAOYSA-N	-2	0	362.769	2.663	20	50		FFGDRL
O=C([O-])c1ccc(C=CC(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)o1	ZINC001601236274	970960023	/nfs/dbraw/zinc/96/00/23/970960023.db2.gz	OGDZMKMXFJYWJV-SOFGYWHQSA-N	-2	0	374.740	2.838	20	50		FFGDRL
O=C([O-])c1ccc(NC(=O)N[N-]C(=O)c2ccc3ccccc3n2)c(F)c1	ZINC001594780449	953625137	/nfs/dbraw/zinc/62/51/37/953625137.db2.gz	QLIBYKAKINHXIO-UHFFFAOYSA-N	-2	0	368.324	2.539	20	50		FFGDRL
O=C([O-])[C@@]1(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)CC=CCC1	ZINC000846706391	955711196	/nfs/dbraw/zinc/71/11/96/955711196.db2.gz	YFOFODLDXRWPMT-INIZCTEOSA-N	-2	0	362.773	2.644	20	50		FFGDRL
Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)o1	ZINC001594347214	958326348	/nfs/dbraw/zinc/32/63/48/958326348.db2.gz	ZKRUKLOWHUANQG-UHFFFAOYSA-N	-2	0	355.709	2.545	20	50		FFGDRL
Cc1cc(NC(=O)NNC(=O)c2ccc(Cl)cc2[O-])ccc1C(=O)[O-]	ZINC001605202466	972943013	/nfs/dbraw/zinc/94/30/13/972943013.db2.gz	ZSEWDEKGTIDQCF-UHFFFAOYSA-N	-2	0	363.757	2.519	20	50		FFGDRL
C[C@@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)C1CCN(C(=O)[O-])CC1	ZINC000824680274	604874745	/nfs/dbraw/zinc/87/47/45/604874745.db2.gz	SUGRXTXBVCZLHP-LBPRGKRZSA-N	-2	0	373.413	2.596	20	50		FFGDRL
CC(=NNC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1OCC(=O)[O-]	ZINC000833384138	605328415	/nfs/dbraw/zinc/32/84/15/605328415.db2.gz	DFFZGONTPJHUHG-UHFFFAOYSA-N	-2	0	362.769	2.663	20	50		FFGDRL
O=C([O-])c1ccnc(NC(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)c1	ZINC001594783258	953654963	/nfs/dbraw/zinc/65/49/63/953654963.db2.gz	XPPAHPFFACLWIX-UHFFFAOYSA-N	-2	0	369.164	2.553	20	50		FFGDRL
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)C1	ZINC000833184241	600948556	/nfs/dbraw/zinc/94/85/56/600948556.db2.gz	ORUHZZVUIXOZSQ-GHMZBOCLSA-N	-2	0	364.789	2.724	20	50		FFGDRL
CC(=NNC(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H](C)CCCCC(=O)[O-]	ZINC000814758036	978881521	/nfs/dbraw/zinc/88/15/21/978881521.db2.gz	XNBDDYSGGTZZCK-ZDUSSCGKSA-N	-2	0	372.425	2.965	20	50		FFGDRL
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)CCCCC(=O)[O-]	ZINC000814858284	978894069	/nfs/dbraw/zinc/89/40/69/978894069.db2.gz	RUZHNMMJNCDJCP-SNVBAGLBSA-N	-2	0	351.359	2.687	20	50		FFGDRL
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2[O-])cc1NC(=O)[O-]	ZINC000830225099	603499663	/nfs/dbraw/zinc/49/96/63/603499663.db2.gz	FOBGIGKOGQQCES-UHFFFAOYSA-N	-2	0	363.757	2.519	20	50		FFGDRL
C[C@H](CC(=O)N[N-]C(=O)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824670730	604390594	/nfs/dbraw/zinc/39/05/94/604390594.db2.gz	AJSLJZZDBLIGPF-TZMCWYRMSA-N	-2	0	373.409	2.610	20	50		FFGDRL
O=C([O-])N(CC(=O)NN=c1[n-]c(C(F)(F)F)cs1)c1ccccc1	ZINC000831451378	605395538	/nfs/dbraw/zinc/39/55/38/605395538.db2.gz	VJQDSQGPZVUKDQ-UHFFFAOYSA-N	-2	0	360.317	2.790	20	50		FFGDRL
Cc1cc(NC(=O)N[N-]C(=O)c2cc3ccccc3o2)ccc1C(=O)[O-]	ZINC001574338161	960922074	/nfs/dbraw/zinc/92/20/74/960922074.db2.gz	CSJCINJCNVHIFW-UHFFFAOYSA-N	-2	0	353.334	2.906	20	50		FFGDRL
O=C([O-])Cn1cc(C=NNC(=O)c2ccc([O-])c(Cl)c2)c2ccccc21	ZINC000799880334	978844293	/nfs/dbraw/zinc/84/42/93/978844293.db2.gz	MUVZQZOFXZNSBK-UHFFFAOYSA-N	-2	0	371.780	2.849	20	50		FFGDRL
C[C@@H]1CCc2sc(C(=O)N[N-]C(=O)c3ccc(/C=C\C(=O)[O-])o3)cc2C1	ZINC001594451306	999650174	/nfs/dbraw/zinc/65/01/74/999650174.db2.gz	ZRSAHIOBRJMPKU-ISGFRBBESA-N	-2	0	374.418	2.639	20	50		FFGDRL
O=C([O-])c1ccc(C=CC(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)o1	ZINC001601236275	970960014	/nfs/dbraw/zinc/96/00/14/970960014.db2.gz	OGDZMKMXFJYWJV-VURMDHGXSA-N	-2	0	374.740	2.838	20	50		FFGDRL
COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CCCl)cc1	ZINC001599378430	998526676	/nfs/dbraw/zinc/52/66/76/998526676.db2.gz	VYYQMWVJSQLMNU-UHFFFAOYSA-N	-2	0	369.826	2.976	20	50		FFGDRL
O=C([O-])c1ccc(CCC(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1	ZINC000833102664	601324958	/nfs/dbraw/zinc/32/49/58/601324958.db2.gz	UWGHCOONDVCVEG-UHFFFAOYSA-N	-2	0	352.346	2.525	20	50		FFGDRL
C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC000833832382	605318495	/nfs/dbraw/zinc/31/84/95/605318495.db2.gz	VRGBERPMODVCAN-MADCSZMMSA-N	-2	0	366.365	2.822	20	50		FFGDRL
CCC(CC)(C(=O)[O-])C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000846705183	969255059	/nfs/dbraw/zinc/25/50/59/969255059.db2.gz	RBYWQRQHBFZFEO-UHFFFAOYSA-N	-2	0	352.778	2.724	20	50		FFGDRL
O=C([O-])Nc1ccccc1CC(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000834274972	606068506	/nfs/dbraw/zinc/06/85/06/606068506.db2.gz	UQRHXYITRBTQJG-UHFFFAOYSA-N	-2	0	353.334	2.526	20	50		FFGDRL
O=C([O-])N[C@@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)c1ccccc1	ZINC000834127704	605610068	/nfs/dbraw/zinc/61/00/68/605610068.db2.gz	RUUDJLDWXDTNKP-AWEZNQCLSA-N	-2	0	367.365	2.579	20	50		FFGDRL
O=C([O-])C1CCC(NC(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)CC1	ZINC000738506927	955243277	/nfs/dbraw/zinc/24/32/77/955243277.db2.gz	OBLHDDYYKVERBQ-UHFFFAOYSA-N	-2	0	374.224	2.581	20	50		FFGDRL
CC(=NNC(=O)c1nn(-c2ccccc2)cc1[O-])[C@H](C)CCCCC(=O)[O-]	ZINC000814758035	978881303	/nfs/dbraw/zinc/88/13/03/978881303.db2.gz	XNBDDYSGGTZZCK-CYBMUJFWSA-N	-2	0	372.425	2.965	20	50		FFGDRL
Cc1cc(C(=O)NN=c2[n-]c(-c3ccccc3)no2)ccc1NC(=O)[O-]	ZINC000829961229	605306593	/nfs/dbraw/zinc/30/65/93/605306593.db2.gz	DCRPITKJIDABCO-UHFFFAOYSA-N	-2	0	353.338	2.892	20	50		FFGDRL
O=C([O-])N[C@H]1CC(=NNC(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000834158038	605745484	/nfs/dbraw/zinc/74/54/84/605745484.db2.gz	OSPGBTRKCNKZHK-AWEZNQCLSA-N	-2	0	368.349	2.623	20	50		FFGDRL
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)s1	ZINC000740110001	978669911	/nfs/dbraw/zinc/66/99/11/978669911.db2.gz	QVTZLGVEJSTWPM-UHFFFAOYSA-N	-2	0	359.190	2.828	20	50		FFGDRL
O=C([O-])/C=C\c1cc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)co1	ZINC001606064781	973204146	/nfs/dbraw/zinc/20/41/46/973204146.db2.gz	PXMPDCLHBQQKJF-PLNGDYQASA-N	-2	0	369.160	2.759	20	50		FFGDRL
Cc1oc(CN(C)C(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1C(=O)[O-]	ZINC000833026044	601457058	/nfs/dbraw/zinc/45/70/58/601457058.db2.gz	ZJVQUJMKASYPNB-UHFFFAOYSA-N	-2	0	371.349	2.519	20	50		FFGDRL
C[C@@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824680621	604349877	/nfs/dbraw/zinc/34/98/77/604349877.db2.gz	XOWPXTHJNRDONM-GXTWGEPZSA-N	-2	0	373.413	2.596	20	50		FFGDRL
CC(C)(CC(=O)[O-])CC(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000833455470	605225664	/nfs/dbraw/zinc/22/56/64/605225664.db2.gz	GCTRNWHSHXEDSG-UHFFFAOYSA-N	-2	0	352.778	2.724	20	50		FFGDRL
O=C([O-])Nc1ccccc1CC(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC000834275054	606098382	/nfs/dbraw/zinc/09/83/82/606098382.db2.gz	XNVXOHQOBJFFJJ-UHFFFAOYSA-N	-2	0	360.317	2.938	20	50		FFGDRL
O=C([O-])Nc1cc(C(=O)N[N-]C(=O)CC(F)(F)F)cc(C(F)(F)F)c1	ZINC000833282232	602062303	/nfs/dbraw/zinc/06/23/03/602062303.db2.gz	VRCGNBGRHBJQHC-UHFFFAOYSA-N	-2	0	373.209	2.509	20	50		FFGDRL
C[C@H](CC(=O)NN=c1[n-]c(-c2ccccc2)no1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824680624	604350087	/nfs/dbraw/zinc/35/00/87/604350087.db2.gz	XOWPXTHJNRDONM-TZMCWYRMSA-N	-2	0	373.413	2.596	20	50		FFGDRL