smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610141	521110966	/nfs/dbraw/zinc/11/09/66/521110966.db2.gz	RMPXLPYCOCXPJZ-INIZCTEOSA-N	-1	1	425.489	2.469	40	0		IEABMM
COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610352	523840188	/nfs/dbraw/zinc/84/01/88/523840188.db2.gz	BVUAHLUYHOZHTF-AWEZNQCLSA-N	-1	1	425.489	2.388	40	0		IEABMM
COc1ccccc1NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(C(C)=O)CC2)C1	ZINC000012481463	524611326	/nfs/dbraw/zinc/61/13/26/524611326.db2.gz	SKKLHVOAGKJBGG-OALUTQOASA-N	-1	1	446.548	2.194	40	0	biogenic,in-vitro	IEABMM
Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)ccc1N1CCCC1=O	ZINC000020455298	525424009	/nfs/dbraw/zinc/42/40/09/525424009.db2.gz	AJYQSRONCBRCHK-UHFFFAOYSA-N	-1	1	437.543	2.318	40	0		IEABMM
COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)NCCc2ccccc2)CC(=O)N3)cc1	ZINC000040399875	556642564	/nfs/dbraw/zinc/64/25/64/556642564.db2.gz	OOLMVJXCDSDKKW-KRWDZBQOSA-N	-1	1	433.468	2.307	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1	ZINC000139085184	556721159	/nfs/dbraw/zinc/72/11/59/556721159.db2.gz	DKZGPSXJDFHMPK-TZMCWYRMSA-N	-1	1	441.488	2.088	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000139077577	556721282	/nfs/dbraw/zinc/72/12/82/556721282.db2.gz	JLBKGELSXBXBSY-MLGOLLRUSA-N	-1	1	438.488	2.029	40	0		IEABMM
COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c(OC)c1	ZINC000040388982	556812932	/nfs/dbraw/zinc/81/29/32/556812932.db2.gz	NGDVEWOLZDDUGV-JSGCOSHPSA-N	-1	1	441.488	2.088	40	0		IEABMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1	ZINC000223134409	557436902	/nfs/dbraw/zinc/43/69/02/557436902.db2.gz	CYCRCKSDMUENLE-UHFFFAOYSA-N	-1	1	432.454	2.326	40	0		IEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1N1C(=O)CCC1=O	ZINC000225070311	557685156	/nfs/dbraw/zinc/68/51/56/557685156.db2.gz	CLYVXKYURZMLMT-UHFFFAOYSA-N	-1	1	447.494	2.063	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000139077699	569254639	/nfs/dbraw/zinc/25/46/39/569254639.db2.gz	JLBKGELSXBXBSY-BLLLJJGKSA-N	-1	1	438.488	2.029	40	0		IEABMM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1	ZINC000044900265	556677129	/nfs/dbraw/zinc/67/71/29/556677129.db2.gz	RZYIUTBUUJGTSS-UHFFFAOYSA-N	-1	1	440.543	2.446	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCOC4)[n-]c(=O)c3C2)s1	ZINC000019217004	556712520	/nfs/dbraw/zinc/71/25/20/556712520.db2.gz	WAXBHYZBKZCCBL-YOEHRIQHSA-N	-1	1	442.541	2.038	40	0		IEABMM
COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2	ZINC000019217011	556712557	/nfs/dbraw/zinc/71/25/57/556712557.db2.gz	FYQRNFWCSZXVDY-INIZCTEOSA-N	-1	1	430.530	2.038	40	0		IEABMM
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388813	556812205	/nfs/dbraw/zinc/81/22/05/556812205.db2.gz	SJLQWVWHOZQIBB-BBRMVZONSA-N	-1	1	425.489	2.469	40	0		IEABMM
CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388886	556812224	/nfs/dbraw/zinc/81/22/24/556812224.db2.gz	XXOQFPUNYORVND-KBPBESRZSA-N	-1	1	425.489	2.469	40	0		IEABMM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	ZINC000222912884	557402025	/nfs/dbraw/zinc/40/20/25/557402025.db2.gz	QUUZEXPZUAMQLX-UHFFFAOYSA-N	-1	1	440.543	2.134	40	0		IEABMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000223641781	557495403	/nfs/dbraw/zinc/49/54/03/557495403.db2.gz	HYCDOESTSAHHKC-UHFFFAOYSA-N	-1	1	443.978	2.385	40	0		IEABMM
COc1ccc(-n2nc3[nH]c(CSc4nnnn4-c4ccccc4)cc(=O)c3c2[O-])cc1	ZINC000019645870	557504893	/nfs/dbraw/zinc/50/48/93/557504893.db2.gz	RMDSTHNWCDGVRM-UHFFFAOYSA-N	-1	1	447.480	2.284	40	0		IEABMM
COc1ccc(-n2nc3[nH]c(CSc4nnnn4-c4ccccc4)cc([O-])c-3c2=O)cc1	ZINC000019645870	557504896	/nfs/dbraw/zinc/50/48/96/557504896.db2.gz	RMDSTHNWCDGVRM-UHFFFAOYSA-N	-1	1	447.480	2.284	40	0		IEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(OC)ccc3OC)n2)c(OC)c1	ZINC000223779608	557512067	/nfs/dbraw/zinc/51/20/67/557512067.db2.gz	LSIUZHIGVLEOQM-UHFFFAOYSA-N	-1	1	435.458	2.250	40	0		IEABMM
CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1	ZINC000223789080	557513687	/nfs/dbraw/zinc/51/36/87/557513687.db2.gz	LZYVQEPJAYPORN-UHFFFAOYSA-N	-1	1	442.541	2.002	40	0		IEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)cc1	ZINC000223906934	557527428	/nfs/dbraw/zinc/52/74/28/557527428.db2.gz	KEUKONUSZHREMJ-UHFFFAOYSA-N	-1	1	432.458	2.191	40	0		IEABMM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1	ZINC000224095933	557560105	/nfs/dbraw/zinc/56/01/05/557560105.db2.gz	BUEBXLBJJIAGNB-UHFFFAOYSA-N	-1	1	440.543	2.134	40	0		IEABMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575425712	568865098	/nfs/dbraw/zinc/86/50/98/568865098.db2.gz	HNKZFYLKDRLUSG-INIZCTEOSA-N	-1	1	442.946	2.366	40	0		IEABMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000139112405	569254832	/nfs/dbraw/zinc/25/48/32/569254832.db2.gz	FFCCHRGUAWEAME-ZIAGYGMSSA-N	-1	1	439.472	2.332	40	0		IEABMM
COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610350	523837589	/nfs/dbraw/zinc/83/75/89/523837589.db2.gz	BVUAHLUYHOZHTF-CQSZACIVSA-N	-1	1	425.489	2.388	40	0		IEABMM
COc1ccc(S(=O)(=O)N2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)cc1	ZINC000012258529	525022298	/nfs/dbraw/zinc/02/22/98/525022298.db2.gz	VRNWGSDYKRJNNC-UHFFFAOYSA-N	-1	1	427.486	2.216	40	0		IEABMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1	ZINC000408693512	556099196	/nfs/dbraw/zinc/09/91/96/556099196.db2.gz	YFVDRHDGQZKJBE-UHFFFAOYSA-N	-1	1	448.497	2.063	40	0		IEABMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(C)c1	ZINC000014867854	556451818	/nfs/dbraw/zinc/45/18/18/556451818.db2.gz	DJGJANPKLVKIGC-UHFFFAOYSA-N	-1	1	437.587	2.349	40	0		IEABMM
O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014596	556691905	/nfs/dbraw/zinc/69/19/05/556691905.db2.gz	SYIIXNQTWCAXGS-VQTJNVASSA-N	-1	1	442.560	2.468	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCOC4)[n-]c(=O)c3C2)s1	ZINC000019217002	556712487	/nfs/dbraw/zinc/71/24/87/556712487.db2.gz	WAXBHYZBKZCCBL-RHSMWYFYSA-N	-1	1	442.541	2.038	40	0		IEABMM
O=C(Cc1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2	ZINC000019343225	556741131	/nfs/dbraw/zinc/74/11/31/556741131.db2.gz	VCGCUPJOSLLCTE-SFHVURJKSA-N	-1	1	426.542	2.422	40	0		IEABMM
CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccnn1CC)CC2	ZINC000019500182	556772311	/nfs/dbraw/zinc/77/23/11/556772311.db2.gz	ZFXDOTSUWBLAMZ-GOSISDBHSA-N	-1	1	440.548	2.285	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3C)[n-]c(=O)c2C1	ZINC000019520412	556776382	/nfs/dbraw/zinc/77/63/82/556776382.db2.gz	NOJKLQZEWYPTRD-LJQANCHMSA-N	-1	1	444.557	2.154	40	0		IEABMM
COCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2	ZINC000019593152	556829546	/nfs/dbraw/zinc/82/95/46/556829546.db2.gz	WYPHDVJINZYHSR-LJQANCHMSA-N	-1	1	430.549	2.325	40	0		IEABMM
O=C(CN1C(=O)SC(=C2SC(=O)[N-]C2=O)C1=O)Nc1ccc(Br)cc1	ZINC000065090542	556832397	/nfs/dbraw/zinc/83/23/97/556832397.db2.gz	DCMFYUPURZPQKM-MDZDMXLPSA-N	-1	1	442.272	2.278	40	0		IEABMM
COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223055175	557422678	/nfs/dbraw/zinc/42/26/78/557422678.db2.gz	GDPLMALTWYNNLQ-ZIAGYGMSSA-N	-1	1	425.489	2.388	40	0		IEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1	ZINC000223366698	557463252	/nfs/dbraw/zinc/46/32/52/557463252.db2.gz	LRVPMCQDAHMDDH-UHFFFAOYSA-N	-1	1	432.454	2.326	40	0		IEABMM
CCN1CCN(c2ccc(C(=O)OC)cc2S(=O)(=O)[N-]c2ccc(OC)cc2)CC1	ZINC000223420442	557470287	/nfs/dbraw/zinc/47/02/87/557470287.db2.gz	JLZAYICPJCZDRU-UHFFFAOYSA-N	-1	1	433.530	2.425	40	0		IEABMM
CCc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC	ZINC000223680325	557501331	/nfs/dbraw/zinc/50/13/31/557501331.db2.gz	MCVBTPBIXCOZEZ-UHFFFAOYSA-N	-1	1	440.543	2.079	40	0		IEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1C(=O)N1CCCC1	ZINC000223783116	557512725	/nfs/dbraw/zinc/51/27/25/557512725.db2.gz	ICJANOAHMXUVHD-UHFFFAOYSA-N	-1	1	431.514	2.434	40	0		IEABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc(C(=O)OC)c1	ZINC000016129784	569225713	/nfs/dbraw/zinc/22/57/13/569225713.db2.gz	RPJWDTLNKXGFBJ-UHFFFAOYSA-N	-1	1	436.442	2.028	40	0		IEABMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1	ZINC000408597577	555965101	/nfs/dbraw/zinc/96/51/01/555965101.db2.gz	VGNGNQBNIPLXST-INIZCTEOSA-N	-1	1	432.498	2.316	40	0		IEABMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1	ZINC000013676596	556554398	/nfs/dbraw/zinc/55/43/98/556554398.db2.gz	ATXKLVRUGCZLRR-UHFFFAOYSA-N	-1	1	448.497	2.145	40	0		IEABMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000040390522	556637360	/nfs/dbraw/zinc/63/73/60/556637360.db2.gz	FFCCHRGUAWEAME-KBPBESRZSA-N	-1	1	439.472	2.332	40	0		IEABMM
O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014594	556691415	/nfs/dbraw/zinc/69/14/15/556691415.db2.gz	SYIIXNQTWCAXGS-UXHICEINSA-N	-1	1	442.560	2.468	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCCO4)[n-]c(=O)c3C2)s1	ZINC000019216997	556712437	/nfs/dbraw/zinc/71/24/37/556712437.db2.gz	UMUTWDLWKVXLQC-IAGOWNOFSA-N	-1	1	442.541	2.181	40	0		IEABMM
COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388957	556812380	/nfs/dbraw/zinc/81/23/80/556812380.db2.gz	GDPLMALTWYNNLQ-KBPBESRZSA-N	-1	1	425.489	2.388	40	0		IEABMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000019932569	556949369	/nfs/dbraw/zinc/94/93/69/556949369.db2.gz	CWUHMEIFVBOQHW-UHFFFAOYSA-N	-1	1	449.554	2.399	40	0		IEABMM
COCC(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4Cc4ccccc4F)cc3nc2C1	ZINC000100234442	557252871	/nfs/dbraw/zinc/25/28/71/557252871.db2.gz	IRKZGMLTVKCROW-HXUWFJFHSA-N	-1	1	439.491	2.442	40	0		IEABMM
COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223055245	557422746	/nfs/dbraw/zinc/42/27/46/557422746.db2.gz	GDPLMALTWYNNLQ-KGLIPLIRSA-N	-1	1	425.489	2.388	40	0		IEABMM
COC(=O)c1ccc(NCCN2CCOCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000223413493	557468956	/nfs/dbraw/zinc/46/89/56/557468956.db2.gz	FRRZRXJBGYJNPX-UHFFFAOYSA-N	-1	1	433.530	2.327	40	0		IEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1OC	ZINC000223582783	557488634	/nfs/dbraw/zinc/48/86/34/557488634.db2.gz	WQDGDGBSPRLQNO-UHFFFAOYSA-N	-1	1	435.458	2.250	40	0		IEABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc(C(=O)OC)c1	ZINC000223848199	557520340	/nfs/dbraw/zinc/52/03/40/557520340.db2.gz	UFLFJKQAOCWKNO-UHFFFAOYSA-N	-1	1	446.481	2.360	40	0		IEABMM
CN(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1)S(C)(=O)=O	ZINC000224302223	557587776	/nfs/dbraw/zinc/58/77/76/557587776.db2.gz	KTMAPVIVFQPPGZ-UHFFFAOYSA-N	-1	1	449.554	2.182	40	0		IEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1C	ZINC000224846137	557657969	/nfs/dbraw/zinc/65/79/69/557657969.db2.gz	CVJOPXMRBZIPFN-UHFFFAOYSA-N	-1	1	432.454	2.244	40	0		IEABMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000575426612	568865369	/nfs/dbraw/zinc/86/53/69/568865369.db2.gz	WWBVHFXJABOOIY-INIZCTEOSA-N	-1	1	442.946	2.366	40	0		IEABMM
CN(C)CCNc1nc(-c2ccccc2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000328984471	569582835	/nfs/dbraw/zinc/58/28/35/569582835.db2.gz	HMRYHHYEUFZNMP-UHFFFAOYSA-N	-1	1	428.518	2.803	40	0		IEABMM
COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000020454867	522048268	/nfs/dbraw/zinc/04/82/68/522048268.db2.gz	LMGKJKUTFBDADX-UHFFFAOYSA-N	-1	1	438.527	2.200	40	0		IEABMM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	ZINC000013543937	556513892	/nfs/dbraw/zinc/51/38/92/556513892.db2.gz	KHUKLOTWIPDCJZ-PMACEKPBSA-N	-1	1	436.468	2.059	40	0		IEABMM
COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)NCCc2ccccc2)CC(=O)N3)cc1	ZINC000040399877	556642591	/nfs/dbraw/zinc/64/25/91/556642591.db2.gz	OOLMVJXCDSDKKW-QGZVFWFLSA-N	-1	1	433.468	2.307	40	0		IEABMM
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019239476	556724990	/nfs/dbraw/zinc/72/49/90/556724990.db2.gz	IDTBBZLDIFEWER-HXUWFJFHSA-N	-1	1	444.495	2.044	40	0		IEABMM
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019337538	556738804	/nfs/dbraw/zinc/73/88/04/556738804.db2.gz	NYHNXQZDKLWEBU-KRWDZBQOSA-N	-1	1	435.509	2.402	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1	ZINC000040389031	556813967	/nfs/dbraw/zinc/81/39/67/556813967.db2.gz	SRDYIHBEOOHXRS-WBMJQRKESA-N	-1	1	438.488	2.172	40	0		IEABMM
CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCC(N)=O)c(OC)c1	ZINC000022109841	557178318	/nfs/dbraw/zinc/17/83/18/557178318.db2.gz	BPSTWBLOWAIOGW-UHFFFAOYSA-N	-1	1	430.328	2.272	40	0		IEABMM
COc1ccc([C@H]2CC(=O)c3c[nH]c4nn(-c5nc(C)cc(=O)[n-]5)c(=O)c-4c3C2)c(OC)c1	ZINC000013639700	557384995	/nfs/dbraw/zinc/38/49/95/557384995.db2.gz	CFDCPNRHASSMCO-GFCCVEGCSA-N	-1	1	447.451	2.448	40	0		IEABMM
CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223054167	557422435	/nfs/dbraw/zinc/42/24/35/557422435.db2.gz	XXOQFPUNYORVND-KGLIPLIRSA-N	-1	1	425.489	2.469	40	0		IEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)N1CCC(C)CC1	ZINC000014399978	557436942	/nfs/dbraw/zinc/43/69/42/557436942.db2.gz	PLUPJUPMPHTTCP-UHFFFAOYSA-N	-1	1	431.514	2.467	40	0		IEABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3cc(C(=O)OC)cc(C(=O)OC)c3)cc2oc1=O	ZINC000223358737	557462053	/nfs/dbraw/zinc/46/20/53/557462053.db2.gz	YAUSOSILPUKEGP-UHFFFAOYSA-N	-1	1	448.453	2.297	40	0		IEABMM
O=c1cc(CSc2nnnn2-c2ccccc2)[nH]c2nn(-c3ccc(F)cc3)c([O-])c21	ZINC000017099485	557483076	/nfs/dbraw/zinc/48/30/76/557483076.db2.gz	WVJFFOHCVHOLDM-UHFFFAOYSA-N	-1	1	435.444	2.414	40	0		IEABMM
O=c1c2c([O-])cc(CSc3nnnn3-c3ccccc3)[nH]c-2nn1-c1ccc(F)cc1	ZINC000017099485	557483078	/nfs/dbraw/zinc/48/30/78/557483078.db2.gz	WVJFFOHCVHOLDM-UHFFFAOYSA-N	-1	1	435.444	2.414	40	0		IEABMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000223650168	557497113	/nfs/dbraw/zinc/49/71/13/557497113.db2.gz	ZWPFEYFRUOWETC-UHFFFAOYSA-N	-1	1	441.600	2.145	40	0		IEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1I	ZINC000223649728	557497121	/nfs/dbraw/zinc/49/71/21/557497121.db2.gz	BXLBIFIAOKRLMZ-UHFFFAOYSA-N	-1	1	432.239	2.200	40	0		IEABMM
O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000575422261	568863681	/nfs/dbraw/zinc/86/36/81/568863681.db2.gz	AXJGMCLMUDWTAR-HNNXBMFYSA-N	-1	1	428.919	2.058	40	0		IEABMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575425713	568865082	/nfs/dbraw/zinc/86/50/82/568865082.db2.gz	HNKZFYLKDRLUSG-MRXNPFEDSA-N	-1	1	442.946	2.366	40	0		IEABMM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1	ZINC000108180747	569252570	/nfs/dbraw/zinc/25/25/70/569252570.db2.gz	ZSKFRDURVHUBQZ-UHFFFAOYSA-N	-1	1	429.542	2.452	40	0		IEABMM
CC(=O)N1CCN(CC[C@H]2CN(C(=O)Nc3ccc(F)cc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481456	519585157	/nfs/dbraw/zinc/58/51/57/519585157.db2.gz	VDGAKSGRFJHQPI-ROUUACIJSA-N	-1	1	434.512	2.325	40	0	biogenic,in-vitro	IEABMM
CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610268	521547279	/nfs/dbraw/zinc/54/72/79/521547279.db2.gz	PLCGNNLFYPFBEA-CQSZACIVSA-N	-1	1	425.489	2.469	40	0		IEABMM
COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c(OC)c1	ZINC000022610380	524611580	/nfs/dbraw/zinc/61/15/80/524611580.db2.gz	OXXAKSFNBXBHSX-AWEZNQCLSA-N	-1	1	441.488	2.088	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1	ZINC000022610336	524863213	/nfs/dbraw/zinc/86/32/13/524863213.db2.gz	ZCFPTAXLBLTTKK-AWEZNQCLSA-N	-1	1	441.488	2.088	40	0		IEABMM
CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000012133037	525279297	/nfs/dbraw/zinc/27/92/97/525279297.db2.gz	XOIJTYVJRHJJOV-UHFFFAOYSA-N	-1	1	439.497	2.063	40	0		IEABMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2C)c(C)c1	ZINC000408623071	555991963	/nfs/dbraw/zinc/99/19/63/555991963.db2.gz	CQIDNZBGFQYUEW-UHFFFAOYSA-N	-1	1	431.558	2.475	40	0		IEABMM
COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c(OC)c1	ZINC000040388980	556636750	/nfs/dbraw/zinc/63/67/50/556636750.db2.gz	NGDVEWOLZDDUGV-OCCSQVGLSA-N	-1	1	441.488	2.088	40	0		IEABMM
O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014598	556691885	/nfs/dbraw/zinc/69/18/85/556691885.db2.gz	SYIIXNQTWCAXGS-WOJBJXKFSA-N	-1	1	442.560	2.468	40	0		IEABMM
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c(OC)c1	ZINC000139106634	556721220	/nfs/dbraw/zinc/72/12/20/556721220.db2.gz	WHNKOTOSKMIKOE-GXTWGEPZSA-N	-1	1	441.488	2.230	40	0		IEABMM
CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccnn1CC)CC2	ZINC000019500183	556772415	/nfs/dbraw/zinc/77/24/15/556772415.db2.gz	ZFXDOTSUWBLAMZ-SFHVURJKSA-N	-1	1	440.548	2.285	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(C)c3)[n-]c(=O)c2C1	ZINC000019520406	556776249	/nfs/dbraw/zinc/77/62/49/556776249.db2.gz	GJYLWDVDMUKQCQ-LJQANCHMSA-N	-1	1	444.557	2.154	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(C)cc3)[n-]c(=O)c2C1	ZINC000019520401	556776335	/nfs/dbraw/zinc/77/63/35/556776335.db2.gz	VKCLBTDZDMVIOA-IBGZPJMESA-N	-1	1	444.557	2.154	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1	ZINC000040388947	556812305	/nfs/dbraw/zinc/81/23/05/556812305.db2.gz	DKZGPSXJDFHMPK-JSGCOSHPSA-N	-1	1	441.488	2.088	40	0		IEABMM
COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388955	556812526	/nfs/dbraw/zinc/81/25/26/556812526.db2.gz	GDPLMALTWYNNLQ-UONOGXRCSA-N	-1	1	425.489	2.388	40	0		IEABMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21	ZINC000223844804	557519855	/nfs/dbraw/zinc/51/98/55/557519855.db2.gz	YXYQTIKWDPDXJH-UHFFFAOYSA-N	-1	1	449.554	2.181	40	0		IEABMM
O=C1CC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)Oc2cc([O-])ccc21	ZINC000225819738	557780729	/nfs/dbraw/zinc/78/07/29/557780729.db2.gz	UHGLZLWCPRXPBQ-UHFFFAOYSA-N	-1	1	431.466	2.352	40	0		IEABMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1C	ZINC000575420579	568863517	/nfs/dbraw/zinc/86/35/17/568863517.db2.gz	CYPPZVROZPFDFF-SFHVURJKSA-N	-1	1	436.555	2.330	40	0		IEABMM
CC(C)[C@H](CO)Nc1nc(C(F)(F)F)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000328961510	569583446	/nfs/dbraw/zinc/58/34/46/569583446.db2.gz	BDKKEYYIAZXEEP-LBPRGKRZSA-N	-1	1	435.428	2.610	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610118	519725213	/nfs/dbraw/zinc/72/52/13/519725213.db2.gz	TZZPNRROCMNVGS-INIZCTEOSA-N	-1	1	438.488	2.029	40	0		IEABMM
CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)ccc1OCC	ZINC000408587934	555938185	/nfs/dbraw/zinc/93/81/85/555938185.db2.gz	UXWYEJCFRPXZKE-UHFFFAOYSA-N	-1	1	443.503	2.102	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1	ZINC000040390383	556637010	/nfs/dbraw/zinc/63/70/10/556637010.db2.gz	UNBVIWNQHDZGSZ-JSGCOSHPSA-N	-1	1	441.488	2.230	40	0		IEABMM
COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2	ZINC000040400069	556643043	/nfs/dbraw/zinc/64/30/43/556643043.db2.gz	JZVZSUHZCBYDMO-HNNXBMFYSA-N	-1	1	433.468	2.307	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCCO4)[n-]c(=O)c3C2)s1	ZINC000019216995	556712525	/nfs/dbraw/zinc/71/25/25/556712525.db2.gz	UMUTWDLWKVXLQC-DLBZAZTESA-N	-1	1	442.541	2.181	40	0		IEABMM
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019239475	556725012	/nfs/dbraw/zinc/72/50/12/556725012.db2.gz	IDTBBZLDIFEWER-FQEVSTJZSA-N	-1	1	444.495	2.044	40	0		IEABMM
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)c2cncc([O-])c2)C1	ZINC000072335818	556908778	/nfs/dbraw/zinc/90/87/78/556908778.db2.gz	BGZPNIHFUZXQFZ-OAHLLOKOSA-N	-1	1	439.497	2.063	40	0		IEABMM
COCC(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4Cc4ccc(F)cc4)cc3nc2C1	ZINC000100234429	557252979	/nfs/dbraw/zinc/25/29/79/557252979.db2.gz	NANCNMWNDBBTBH-FQEVSTJZSA-N	-1	1	439.491	2.442	40	0		IEABMM
CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1	ZINC000223612608	557491839	/nfs/dbraw/zinc/49/18/39/557491839.db2.gz	BHWLOGZOZTYGGY-UHFFFAOYSA-N	-1	1	437.499	2.017	40	0		IEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1	ZINC000223913767	557528117	/nfs/dbraw/zinc/52/81/17/557528117.db2.gz	ZPXILCQSBMLROU-UHFFFAOYSA-N	-1	1	428.470	2.133	40	0		IEABMM
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)n1	ZINC000003634316	557529237	/nfs/dbraw/zinc/52/92/37/557529237.db2.gz	HVEIJRPFCHFENC-OQUILHJVSA-N	-1	1	428.470	2.047	40	0		IEABMM
CCOC(=O)c1sc(NC(=O)CSc2nccc(=O)[n-]2)c(C(=O)OCC)c1C	ZINC000032522469	557806275	/nfs/dbraw/zinc/80/62/75/557806275.db2.gz	NZXGSMBMOMJAGR-UHFFFAOYSA-N	-1	1	425.488	2.224	40	0		IEABMM
COc1ccc(CN2CCC[C@H]2c2nc(-c3ccnc([N-]S(C)(=O)=O)c3)no2)cc1	ZINC000035425552	560080704	/nfs/dbraw/zinc/08/07/04/560080704.db2.gz	LUOOXRLZSVJIAH-KRWDZBQOSA-N	-1	1	429.502	2.849	40	0	biogenic,in-vitro	IEABMM
CN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1	ZINC000257221803	568675251	/nfs/dbraw/zinc/67/52/51/568675251.db2.gz	DQOVFEDBPHIFIW-UHFFFAOYSA-N	-1	1	438.347	2.320	40	0		IEABMM
Cc1ccc(Cn2nnc3c2nc(Cn2nnc(-c4ccc(Cl)cc4)n2)[n-]c3=O)cc1	ZINC000035311674	524776454	/nfs/dbraw/zinc/77/64/54/524776454.db2.gz	NLDIQIDMVBAHBU-UHFFFAOYSA-N	-1	1	433.863	2.227	40	0		IEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1C	ZINC000408602704	555971837	/nfs/dbraw/zinc/97/18/37/555971837.db2.gz	ITZKNQPWCUVORP-UHFFFAOYSA-N	-1	1	434.470	2.119	40	0		IEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1	ZINC000408612121	555977300	/nfs/dbraw/zinc/97/73/00/555977300.db2.gz	YNSZLWMIZYLZSW-UHFFFAOYSA-N	-1	1	432.498	2.445	40	0		IEABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc(C(=O)OC)c1	ZINC000030755701	556504747	/nfs/dbraw/zinc/50/47/47/556504747.db2.gz	BTCIKKCYNBGVRI-UHFFFAOYSA-N	-1	1	446.481	2.496	40	0		IEABMM
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000036612829	556511082	/nfs/dbraw/zinc/51/10/82/556511082.db2.gz	RLAFRIIKMULLHX-FQEVSTJZSA-N	-1	1	426.425	2.487	40	0		IEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1	ZINC000013566299	556519171	/nfs/dbraw/zinc/51/91/71/556519171.db2.gz	KXESMHQFZLUYEV-HNNXBMFYSA-N	-1	1	447.513	2.072	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1	ZINC000139105422	556721318	/nfs/dbraw/zinc/72/13/18/556721318.db2.gz	UNBVIWNQHDZGSZ-GXTWGEPZSA-N	-1	1	441.488	2.230	40	0		IEABMM
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019239479	556725071	/nfs/dbraw/zinc/72/50/71/556725071.db2.gz	VJFBBKZRAAERAS-FQEVSTJZSA-N	-1	1	444.495	2.044	40	0		IEABMM
O=C(c1cccnc1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019337716	556739107	/nfs/dbraw/zinc/73/91/07/556739107.db2.gz	TZISWHGLIGPFTE-FQEVSTJZSA-N	-1	1	444.495	2.126	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388805	556812313	/nfs/dbraw/zinc/81/23/13/556812313.db2.gz	JLBKGELSXBXBSY-LRDDRELGSA-N	-1	1	438.488	2.029	40	0		IEABMM
Cc1c(C(=O)C=C([O-])C(=O)Nc2cccc(C(F)(F)F)c2)[n+]([O-])c2ccccc2[n+]1[O-]	ZINC000102957842	557310950	/nfs/dbraw/zinc/31/09/50/557310950.db2.gz	GMENEGNMIFTQKH-UHFFFAOYSA-N	-1	1	433.342	2.214	40	0		IEABMM
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(=O)[O-])cc2)n1	ZINC000013465469	557321908	/nfs/dbraw/zinc/32/19/08/557321908.db2.gz	YRDYXRXWPWGRKW-JFTQMJAMSA-N	-1	1	442.497	2.356	40	0		IEABMM
CN1CCN(c2ccc([N-]S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)CC1	ZINC000223040430	557419637	/nfs/dbraw/zinc/41/96/37/557419637.db2.gz	NIUIXDHUVAUNGA-UHFFFAOYSA-N	-1	1	438.579	2.075	40	0		IEABMM
COc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c(C(C)=O)cc1OC	ZINC000223308526	557457683	/nfs/dbraw/zinc/45/76/83/557457683.db2.gz	FRKNJBLTFFCSDX-UHFFFAOYSA-N	-1	1	436.486	2.174	40	0		IEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1N1C(=O)CCC1=O	ZINC000223549180	557484406	/nfs/dbraw/zinc/48/44/06/557484406.db2.gz	APRBCZOHCFXUJT-UHFFFAOYSA-N	-1	1	443.481	2.276	40	0		IEABMM
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(N(C)S(C)(=O)=O)c3)ccc21	ZINC000223846585	557520058	/nfs/dbraw/zinc/52/00/58/557520058.db2.gz	LHLUAZAAGDVROD-UHFFFAOYSA-N	-1	1	437.543	2.182	40	0		IEABMM
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1	ZINC000224566620	557624670	/nfs/dbraw/zinc/62/46/70/557624670.db2.gz	GEQJTLFZZYMALJ-OAHLLOKOSA-N	-1	1	437.543	2.098	40	0		IEABMM
CC1=NN(c2nc(N)nc(NS(=O)(=O)c3cc(C)c(Cl)cc3[S-])n2)C(C)(C)C1	ZINC000073351352	563172572	/nfs/dbraw/zinc/17/25/72/563172572.db2.gz	HVBITWNOVZCXAS-UHFFFAOYSA-N	-1	1	441.970	2.870	40	0		IEABMM
CN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3Br)cc2)CC1	ZINC000257295639	568709249	/nfs/dbraw/zinc/70/92/49/568709249.db2.gz	QZGNWZQNFLECSQ-UHFFFAOYSA-N	-1	1	438.347	2.320	40	0		IEABMM
CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2F)C[C@H]1NC(=O)CCC(=O)[O-]	ZINC000257343539	568729922	/nfs/dbraw/zinc/72/99/22/568729922.db2.gz	ZTKPJLPTHWCOER-GNRVTEMESA-N	-1	1	430.476	2.188	40	0		IEABMM
CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610137	521102143	/nfs/dbraw/zinc/10/21/43/521102143.db2.gz	RMPXLPYCOCXPJZ-MRXNPFEDSA-N	-1	1	425.489	2.469	40	0		IEABMM
COC(=O)C(=O)c1c([O-])c2c(nc1-c1ccc(O)c(OC)c1)[nH]n(-c1ccccc1)c2=O	ZINC000005314712	556044745	/nfs/dbraw/zinc/04/47/45/556044745.db2.gz	HFUBSVFTVKKLFA-UHFFFAOYSA-N	-1	1	435.392	2.156	40	0		IEABMM
COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c(OC)c1	ZINC000040390419	556636866	/nfs/dbraw/zinc/63/68/66/556636866.db2.gz	WHNKOTOSKMIKOE-JSGCOSHPSA-N	-1	1	441.488	2.230	40	0		IEABMM
COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)NCCc1ccccc1)CC(=O)N2	ZINC000040400071	556642889	/nfs/dbraw/zinc/64/28/89/556642889.db2.gz	JZVZSUHZCBYDMO-OAHLLOKOSA-N	-1	1	433.468	2.307	40	0		IEABMM
CCOC(=O)[C@](Cl)([N-]C(=O)N[C@](Cl)(C(=O)OCC)C(F)(F)F)C(F)(F)F	ZINC000016958733	556650875	/nfs/dbraw/zinc/65/08/75/556650875.db2.gz	HJBOFZUWVGXUEQ-DTORHVGOSA-N	-1	1	437.120	2.407	40	0		IEABMM
O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014557	556691454	/nfs/dbraw/zinc/69/14/54/556691454.db2.gz	ASRYVMBGPIWJNW-MOPGFXCFSA-N	-1	1	428.533	2.077	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)[n-]c(=O)c3C2)s1	ZINC000019216989	556712200	/nfs/dbraw/zinc/71/22/00/556712200.db2.gz	UMUTWDLWKVXLQC-IRXDYDNUSA-N	-1	1	442.541	2.181	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCOC4)[n-]c(=O)c3C2)s1	ZINC000019217006	556712490	/nfs/dbraw/zinc/71/24/90/556712490.db2.gz	WAXBHYZBKZCCBL-WMLDXEAASA-N	-1	1	442.541	2.038	40	0		IEABMM
O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019337542	556738737	/nfs/dbraw/zinc/73/87/37/556738737.db2.gz	NYHNXQZDKLWEBU-QGZVFWFLSA-N	-1	1	435.509	2.402	40	0		IEABMM
O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019400059	556752580	/nfs/dbraw/zinc/75/25/80/556752580.db2.gz	ZIBIZVQQCSKWFW-QGZVFWFLSA-N	-1	1	435.509	2.402	40	0		IEABMM
CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388884	556812184	/nfs/dbraw/zinc/81/21/84/556812184.db2.gz	XXOQFPUNYORVND-UONOGXRCSA-N	-1	1	425.489	2.469	40	0		IEABMM
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@H]3C(=O)[O-])cc2)n1	ZINC000217403970	557168955	/nfs/dbraw/zinc/16/89/55/557168955.db2.gz	YRDYXRXWPWGRKW-MJSCVDMRSA-N	-1	1	442.497	2.356	40	0		IEABMM
COCC(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4Cc4ccc(F)cc4)cc3nc2C1	ZINC000100234433	557252947	/nfs/dbraw/zinc/25/29/47/557252947.db2.gz	NANCNMWNDBBTBH-HXUWFJFHSA-N	-1	1	439.491	2.442	40	0		IEABMM
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1	ZINC000260561474	557264309	/nfs/dbraw/zinc/26/43/09/557264309.db2.gz	GEQJTLFZZYMALJ-HNNXBMFYSA-N	-1	1	437.543	2.098	40	0		IEABMM
CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000223053516	557422067	/nfs/dbraw/zinc/42/20/67/557422067.db2.gz	SJLQWVWHOZQIBB-CZUORRHYSA-N	-1	1	425.489	2.469	40	0		IEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1C	ZINC000223132228	557436701	/nfs/dbraw/zinc/43/67/01/557436701.db2.gz	NGTIMJJUENZRFP-UHFFFAOYSA-N	-1	1	440.543	2.134	40	0		IEABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C	ZINC000223802274	557515038	/nfs/dbraw/zinc/51/50/38/557515038.db2.gz	RTELDLHGJUPZPJ-UHFFFAOYSA-N	-1	1	438.527	2.367	40	0		IEABMM
COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)c1	ZINC000223913677	557528131	/nfs/dbraw/zinc/52/81/31/557528131.db2.gz	RNGQXWGYLPBLJA-UHFFFAOYSA-N	-1	1	428.470	2.133	40	0		IEABMM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCc3ccccc3C2)s1	ZINC000224456981	557608451	/nfs/dbraw/zinc/60/84/51/557608451.db2.gz	DSQLQTOFRJVTJU-UHFFFAOYSA-N	-1	1	437.591	2.249	40	0		IEABMM
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c(OC)c1	ZINC000139086887	569254635	/nfs/dbraw/zinc/25/46/35/569254635.db2.gz	NGDVEWOLZDDUGV-GXTWGEPZSA-N	-1	1	441.488	2.088	40	0		IEABMM
O=C(c1cc(C2CC2)nc2ccccc21)N1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1	ZINC000012181408	526602933	/nfs/dbraw/zinc/60/29/33/526602933.db2.gz	JUWOJHZPZFHVNQ-UHFFFAOYSA-N	-1	1	431.496	2.231	40	0		IEABMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1	ZINC000408597582	555965136	/nfs/dbraw/zinc/96/51/36/555965136.db2.gz	VGNGNQBNIPLXST-MRXNPFEDSA-N	-1	1	432.498	2.316	40	0		IEABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1C(=O)N1CCCCC1	ZINC000408626257	555996965	/nfs/dbraw/zinc/99/69/65/555996965.db2.gz	VLLWDNAKWPEMNC-UHFFFAOYSA-N	-1	1	437.543	2.069	40	0		IEABMM
CCOC(=O)COc1c(Br)cc(/C=C2\NC(=O)[N-]C2=O)cc1Br	ZINC000015012874	556484178	/nfs/dbraw/zinc/48/41/78/556484178.db2.gz	DJGQGHSXCXOVOZ-YHYXMXQVSA-N	-1	1	448.067	2.334	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1	ZINC000040389033	556636645	/nfs/dbraw/zinc/63/66/45/556636645.db2.gz	SRDYIHBEOOHXRS-LRDDRELGSA-N	-1	1	438.488	2.172	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[n-]c(=O)c2C1	ZINC000019520393	556776449	/nfs/dbraw/zinc/77/64/49/556776449.db2.gz	STAKIUCOOIHZDV-SFHVURJKSA-N	-1	1	436.578	2.112	40	0		IEABMM
COc1ccc(CC(=O)N2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)cc1OC	ZINC000019560373	556801823	/nfs/dbraw/zinc/80/18/23/556801823.db2.gz	QOCFENCHVVJDAS-UHFFFAOYSA-N	-1	1	435.484	2.193	40	0		IEABMM
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)c2cncc([O-])c2)C1	ZINC000072335819	556908836	/nfs/dbraw/zinc/90/88/36/556908836.db2.gz	BGZPNIHFUZXQFZ-HNNXBMFYSA-N	-1	1	439.497	2.063	40	0		IEABMM
CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CCC(=O)[O-]	ZINC000585262458	557202262	/nfs/dbraw/zinc/20/22/62/557202262.db2.gz	SUWRADASWNUQGD-VKGYTVAMSA-N	-1	1	430.476	2.188	40	0		IEABMM
COCC(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4Cc4ccccc4F)cc3nc2C1	ZINC000100234440	557252781	/nfs/dbraw/zinc/25/27/81/557252781.db2.gz	IRKZGMLTVKCROW-FQEVSTJZSA-N	-1	1	439.491	2.442	40	0		IEABMM
CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC)ccc2C)cc1	ZINC000223000300	557413828	/nfs/dbraw/zinc/41/38/28/557413828.db2.gz	LQZLKHNXNCNVGT-UHFFFAOYSA-N	-1	1	427.504	2.272	40	0		IEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1OC	ZINC000223583716	557488874	/nfs/dbraw/zinc/48/88/74/557488874.db2.gz	ZUOJOJBXZQZNAY-UHFFFAOYSA-N	-1	1	433.442	2.004	40	0		IEABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000223837186	557519096	/nfs/dbraw/zinc/51/90/96/557519096.db2.gz	UOBKVCKMAUGRBM-UHFFFAOYSA-N	-1	1	438.527	2.367	40	0		IEABMM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(=O)OC)cc(C(=O)OC)c3)ccc21	ZINC000225493304	557729830	/nfs/dbraw/zinc/72/98/30/557729830.db2.gz	YGHFULDUEGIBJA-UHFFFAOYSA-N	-1	1	446.481	2.360	40	0		IEABMM
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000575425244	568864760	/nfs/dbraw/zinc/86/47/60/568864760.db2.gz	RXPPNLLXNZZCIB-HNNXBMFYSA-N	-1	1	428.919	2.058	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1	ZINC000139085310	569254600	/nfs/dbraw/zinc/25/46/00/569254600.db2.gz	DKZGPSXJDFHMPK-GXTWGEPZSA-N	-1	1	441.488	2.088	40	0		IEABMM
CC(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1	ZINC000028049097	569406574	/nfs/dbraw/zinc/40/65/74/569406574.db2.gz	RKVDQOZYGFAGOI-UHFFFAOYSA-N	-1	1	444.513	2.023	40	0		IEABMM
COc1ccc(S(=O)(=O)N2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)cc1F	ZINC000012258535	525020547	/nfs/dbraw/zinc/02/05/47/525020547.db2.gz	WDGSPRRUSKAYRN-UHFFFAOYSA-N	-1	1	445.476	2.355	40	0		IEABMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2C)cc1C	ZINC000408621477	555990207	/nfs/dbraw/zinc/99/02/07/555990207.db2.gz	LHYAPMJNSTUJPH-UHFFFAOYSA-N	-1	1	431.558	2.475	40	0		IEABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc(C(=O)OC)c1	ZINC000030754875	556504607	/nfs/dbraw/zinc/50/46/07/556504607.db2.gz	XMWURWQFIJQHKL-UHFFFAOYSA-N	-1	1	432.454	2.187	40	0		IEABMM
COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1	ZINC000016154233	556585797	/nfs/dbraw/zinc/58/57/97/556585797.db2.gz	IBUMWLGYSGGOQX-UHFFFAOYSA-N	-1	1	440.543	2.134	40	0		IEABMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000016310192	556599370	/nfs/dbraw/zinc/59/93/70/556599370.db2.gz	RJROKYUHCCCCIF-UHFFFAOYSA-N	-1	1	447.498	2.096	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCOC4)[n-]c(=O)c3C2)s1	ZINC000019217000	556712516	/nfs/dbraw/zinc/71/25/16/556712516.db2.gz	WAXBHYZBKZCCBL-PBHICJAKSA-N	-1	1	442.541	2.038	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1	ZINC000139089107	556721140	/nfs/dbraw/zinc/72/11/40/556721140.db2.gz	SRDYIHBEOOHXRS-BLLLJJGKSA-N	-1	1	438.488	2.172	40	0		IEABMM
COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2	ZINC000019593174	556829536	/nfs/dbraw/zinc/82/95/36/556829536.db2.gz	CVDNIOBBWVGAKR-LJQANCHMSA-N	-1	1	430.549	2.325	40	0		IEABMM
O=C1C(=C2C(=O)[N-]C(=S)NC2=O)c2cc(Br)ccc2N1Cc1ccccc1	ZINC000409118753	556960623	/nfs/dbraw/zinc/96/06/23/556960623.db2.gz	PZVIFBDESABELN-UHFFFAOYSA-N	-1	1	442.294	2.280	40	0		IEABMM
COC(=O)c1ccc(NCCN2CCOCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1	ZINC000223420789	557470203	/nfs/dbraw/zinc/47/02/03/557470203.db2.gz	PPBSKPXTYCHBIC-UHFFFAOYSA-N	-1	1	449.529	2.027	40	0		IEABMM
COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)c1	ZINC000223906845	557527367	/nfs/dbraw/zinc/52/73/67/557527367.db2.gz	JBDBLXBAJRSITR-UHFFFAOYSA-N	-1	1	432.458	2.191	40	0		IEABMM
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1	ZINC000224566692	557624616	/nfs/dbraw/zinc/62/46/16/557624616.db2.gz	RPEGXQJPPXBEKB-UHFFFAOYSA-N	-1	1	437.543	2.098	40	0		IEABMM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(N(C)S(C)(=O)=O)c3)ccc21	ZINC000224922142	557667391	/nfs/dbraw/zinc/66/73/91/557667391.db2.gz	AJRYLDPKSQADQI-UHFFFAOYSA-N	-1	1	437.543	2.182	40	0		IEABMM
O=C([O-])CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1	ZINC000257214862	568672140	/nfs/dbraw/zinc/67/21/40/568672140.db2.gz	CNTBCPNZUDDHLV-CHOVIJNXSA-N	-1	1	442.487	2.114	40	0		IEABMM
O=C([O-])CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1	ZINC000257214862	568672143	/nfs/dbraw/zinc/67/21/43/568672143.db2.gz	CNTBCPNZUDDHLV-CHOVIJNXSA-N	-1	1	442.487	2.114	40	0		IEABMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000575426613	568865508	/nfs/dbraw/zinc/86/55/08/568865508.db2.gz	WWBVHFXJABOOIY-MRXNPFEDSA-N	-1	1	442.946	2.366	40	0		IEABMM
CS(=O)(=O)[N-]c1ccccc1C(=O)C[C@]1(O)C(=O)Nc2cc(Br)ccc21	ZINC000226785524	525226822	/nfs/dbraw/zinc/22/68/22/525226822.db2.gz	WLNOZYMZKXFXEW-QGZVFWFLSA-N	-1	1	439.287	2.233	40	0		IEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1Br	ZINC000408625158	555995576	/nfs/dbraw/zinc/99/55/76/555995576.db2.gz	IGQVWFFOGLNYPK-UHFFFAOYSA-N	-1	1	426.292	2.449	40	0		IEABMM
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000036612828	556511032	/nfs/dbraw/zinc/51/10/32/556511032.db2.gz	RLAFRIIKMULLHX-HXUWFJFHSA-N	-1	1	426.425	2.487	40	0		IEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1	ZINC000013566298	556519163	/nfs/dbraw/zinc/51/91/63/556519163.db2.gz	KXESMHQFZLUYEV-OAHLLOKOSA-N	-1	1	447.513	2.072	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCCCC3)[n-]c(=O)c2C1	ZINC000019520394	556776283	/nfs/dbraw/zinc/77/62/83/556776283.db2.gz	STAKIUCOOIHZDV-GOSISDBHSA-N	-1	1	436.578	2.112	40	0		IEABMM
CCS(=O)(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2	ZINC000019520334	556776319	/nfs/dbraw/zinc/77/63/19/556776319.db2.gz	GIKCBLXKCKCPIA-SFHVURJKSA-N	-1	1	436.578	2.112	40	0		IEABMM
O=C(NCc1ccccc1)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21	ZINC000019821488	556924471	/nfs/dbraw/zinc/92/44/71/556924471.db2.gz	FLMKFMCKXQQZMF-SFHVURJKSA-N	-1	1	429.480	2.075	40	0		IEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)n2)c(OC)c1	ZINC000223765043	557510487	/nfs/dbraw/zinc/51/04/87/557510487.db2.gz	ZEUHYBNLQWXMLT-UHFFFAOYSA-N	-1	1	433.442	2.004	40	0		IEABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)ccc1Cl	ZINC000223829912	557518119	/nfs/dbraw/zinc/51/81/19/557518119.db2.gz	BWJSJCRDLQZDCT-UHFFFAOYSA-N	-1	1	432.907	2.323	40	0		IEABMM
COCCOc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(C(=O)[O-])cc3)CCC[C@H]2O)cc1	ZINC000015672264	560230437	/nfs/dbraw/zinc/23/04/37/560230437.db2.gz	VLSKUVITVGRLCT-FGZHOGPDSA-N	-1	1	442.512	2.165	40	0	biogenic,in-vitro	IEABMM
CN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(Br)c3)cc2)CC1	ZINC000257310966	568716087	/nfs/dbraw/zinc/71/60/87/568716087.db2.gz	UHJIBLNBLWJKCX-UHFFFAOYSA-N	-1	1	438.347	2.320	40	0		IEABMM
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000108153486	569252452	/nfs/dbraw/zinc/25/24/52/569252452.db2.gz	SISRGVJIUVKXLN-LFYBBSHMSA-N	-1	1	434.788	2.067	40	0		IEABMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2C)c1C	ZINC000408615505	555986500	/nfs/dbraw/zinc/98/65/00/555986500.db2.gz	BCOFGPHYVYNXIH-UHFFFAOYSA-N	-1	1	431.558	2.475	40	0		IEABMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2C)c1	ZINC000408615764	555986772	/nfs/dbraw/zinc/98/67/72/555986772.db2.gz	RWJCSBWTICAMGR-UHFFFAOYSA-N	-1	1	431.558	2.475	40	0		IEABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1OC	ZINC000010008781	556321109	/nfs/dbraw/zinc/32/11/09/556321109.db2.gz	NUTKNBHQHASCOF-UHFFFAOYSA-N	-1	1	446.266	2.460	40	0		IEABMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000040390520	556637233	/nfs/dbraw/zinc/63/72/33/556637233.db2.gz	FFCCHRGUAWEAME-KGLIPLIRSA-N	-1	1	439.472	2.332	40	0		IEABMM
O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014592	556691458	/nfs/dbraw/zinc/69/14/58/556691458.db2.gz	SYIIXNQTWCAXGS-PMACEKPBSA-N	-1	1	442.560	2.468	40	0		IEABMM
O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014555	556691471	/nfs/dbraw/zinc/69/14/71/556691471.db2.gz	ASRYVMBGPIWJNW-OALUTQOASA-N	-1	1	428.533	2.077	40	0		IEABMM
COCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2	ZINC000019217009	556712483	/nfs/dbraw/zinc/71/24/83/556712483.db2.gz	FYQRNFWCSZXVDY-MRXNPFEDSA-N	-1	1	430.530	2.038	40	0		IEABMM
CC(=O)N1CCc2nc([C@H]3CCCCN3S(=O)(=O)Cc3cccc(C)c3)[n-]c(=O)c2C1	ZINC000019235090	556719370	/nfs/dbraw/zinc/71/93/70/556719370.db2.gz	DAHXCTFYUZQKGR-HXUWFJFHSA-N	-1	1	444.557	2.040	40	0		IEABMM
O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2	ZINC000019343228	556740953	/nfs/dbraw/zinc/74/09/53/556740953.db2.gz	VCGCUPJOSLLCTE-GOSISDBHSA-N	-1	1	426.542	2.422	40	0		IEABMM
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019400056	556752702	/nfs/dbraw/zinc/75/27/02/556752702.db2.gz	ZIBIZVQQCSKWFW-KRWDZBQOSA-N	-1	1	435.509	2.402	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(C)cc3)[n-]c(=O)c2C1	ZINC000019520402	556776441	/nfs/dbraw/zinc/77/64/41/556776441.db2.gz	VKCLBTDZDMVIOA-LJQANCHMSA-N	-1	1	444.557	2.154	40	0		IEABMM
COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2	ZINC000019593175	556829354	/nfs/dbraw/zinc/82/93/54/556829354.db2.gz	CVDNIOBBWVGAKR-IBGZPJMESA-N	-1	1	430.549	2.325	40	0		IEABMM
COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2	ZINC000019593153	556829387	/nfs/dbraw/zinc/82/93/87/556829387.db2.gz	WYPHDVJINZYHSR-IBGZPJMESA-N	-1	1	430.549	2.325	40	0		IEABMM
CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Br)c1OCC(N)=O	ZINC000022110458	557178851	/nfs/dbraw/zinc/17/88/51/557178851.db2.gz	ZGPJEIVZBRVEKI-UHFFFAOYSA-N	-1	1	430.328	2.272	40	0		IEABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)ccc1OC	ZINC000223784585	557512921	/nfs/dbraw/zinc/51/29/21/557512921.db2.gz	VQYUYQNZTZMWDL-UHFFFAOYSA-N	-1	1	431.514	2.482	40	0		IEABMM
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1F	ZINC000225609446	557751089	/nfs/dbraw/zinc/75/10/89/557751089.db2.gz	ZBVCFAMCGVRHIB-UHFFFAOYSA-N	-1	1	441.550	2.179	40	0		IEABMM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)NCCSc1nc(-c2ccccc2)n[nH]1	ZINC000225876031	557788003	/nfs/dbraw/zinc/78/80/03/557788003.db2.gz	YGIWGWGGRSHPDB-UHFFFAOYSA-N	-1	1	438.560	2.130	40	0		IEABMM
CS(=O)(=O)[N-]c1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2cc(Br)ccc21	ZINC000226785518	557808945	/nfs/dbraw/zinc/80/89/45/557808945.db2.gz	WLNOZYMZKXFXEW-KRWDZBQOSA-N	-1	1	439.287	2.233	40	0		IEABMM
CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(F)c2)C[C@H]1NC(=O)CCC(=O)[O-]	ZINC000257247409	568687240	/nfs/dbraw/zinc/68/72/40/568687240.db2.gz	IYXNLOGPAAEOLY-VKGYTVAMSA-N	-1	1	448.466	2.327	40	0		IEABMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1C	ZINC000575420576	568863300	/nfs/dbraw/zinc/86/33/00/568863300.db2.gz	CYPPZVROZPFDFF-GOSISDBHSA-N	-1	1	436.555	2.330	40	0		IEABMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1C	ZINC000575423242	568864251	/nfs/dbraw/zinc/86/42/51/568864251.db2.gz	OTRUKJOEMKGSIW-SFHVURJKSA-N	-1	1	436.555	2.330	40	0		IEABMM
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c(OC)c1	ZINC000022610378	524590803	/nfs/dbraw/zinc/59/08/03/524590803.db2.gz	OXXAKSFNBXBHSX-CQSZACIVSA-N	-1	1	441.488	2.088	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1	ZINC000022610333	524861067	/nfs/dbraw/zinc/86/10/67/524861067.db2.gz	ZCFPTAXLBLTTKK-CQSZACIVSA-N	-1	1	441.488	2.088	40	0		IEABMM
O=c1[n-]c(Cn2nnc(-c3ccc(Cl)cc3)n2)nc2c1nnn2Cc1ccc(F)cc1	ZINC000035311673	526378280	/nfs/dbraw/zinc/37/82/80/526378280.db2.gz	ZJHXSIDOGWBWHO-UHFFFAOYSA-N	-1	1	437.826	2.470	40	0		IEABMM
CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000408563100	555906742	/nfs/dbraw/zinc/90/67/42/555906742.db2.gz	UBXHHPPPTXHQDG-UHFFFAOYSA-N	-1	1	426.520	2.009	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388803	556636579	/nfs/dbraw/zinc/63/65/79/556636579.db2.gz	JLBKGELSXBXBSY-WBMJQRKESA-N	-1	1	438.488	2.029	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1	ZINC000040388945	556636657	/nfs/dbraw/zinc/63/66/57/556636657.db2.gz	DKZGPSXJDFHMPK-OCCSQVGLSA-N	-1	1	441.488	2.088	40	0		IEABMM
O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014561	556691478	/nfs/dbraw/zinc/69/14/78/556691478.db2.gz	ASRYVMBGPIWJNW-RTBURBONSA-N	-1	1	428.533	2.077	40	0		IEABMM
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c(OC)c1	ZINC000139086760	556721331	/nfs/dbraw/zinc/72/13/31/556721331.db2.gz	NGDVEWOLZDDUGV-TZMCWYRMSA-N	-1	1	441.488	2.088	40	0		IEABMM
CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1	ZINC000019524159	556781299	/nfs/dbraw/zinc/78/12/99/556781299.db2.gz	HNEUBZZRLSKGQF-SFHVURJKSA-N	-1	1	438.532	2.039	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c1	ZINC000040390381	556815079	/nfs/dbraw/zinc/81/50/79/556815079.db2.gz	UNBVIWNQHDZGSZ-OCCSQVGLSA-N	-1	1	441.488	2.230	40	0		IEABMM
O=C(NCc1ccccc1)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21	ZINC000019821486	556924391	/nfs/dbraw/zinc/92/43/91/556924391.db2.gz	FLMKFMCKXQQZMF-GOSISDBHSA-N	-1	1	429.480	2.075	40	0		IEABMM
COc1ccc([C@@H]2CC(=O)c3c[nH]c4nn(-c5nc(C)cc(=O)[n-]5)c(=O)c-4c3C2)c(OC)c1	ZINC000013639698	557384943	/nfs/dbraw/zinc/38/49/43/557384943.db2.gz	CFDCPNRHASSMCO-LBPRGKRZSA-N	-1	1	447.451	2.448	40	0		IEABMM
CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223054111	557422084	/nfs/dbraw/zinc/42/20/84/557422084.db2.gz	XXOQFPUNYORVND-ZIAGYGMSSA-N	-1	1	425.489	2.469	40	0		IEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(OC)c3)n2)c(OC)c1	ZINC000223763712	557510372	/nfs/dbraw/zinc/51/03/72/557510372.db2.gz	MEKANUSMUHDBRE-UHFFFAOYSA-N	-1	1	435.458	2.250	40	0		IEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cccc(N(C)S(C)(=O)=O)c3)cc2sc1=O	ZINC000225690513	557764174	/nfs/dbraw/zinc/76/41/74/557764174.db2.gz	MJXJMMBNPRXLAB-UHFFFAOYSA-N	-1	1	441.556	2.280	40	0		IEABMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1C	ZINC000575423241	568864332	/nfs/dbraw/zinc/86/43/32/568864332.db2.gz	OTRUKJOEMKGSIW-GOSISDBHSA-N	-1	1	436.555	2.330	40	0		IEABMM
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c1	ZINC000139105302	569254552	/nfs/dbraw/zinc/25/45/52/569254552.db2.gz	UNBVIWNQHDZGSZ-TZMCWYRMSA-N	-1	1	441.488	2.230	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1	ZINC000139088985	569254611	/nfs/dbraw/zinc/25/46/11/569254611.db2.gz	SRDYIHBEOOHXRS-MLGOLLRUSA-N	-1	1	438.488	2.172	40	0		IEABMM
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c(OC)c1	ZINC000139106522	569254837	/nfs/dbraw/zinc/25/48/37/569254837.db2.gz	WHNKOTOSKMIKOE-TZMCWYRMSA-N	-1	1	441.488	2.230	40	0		IEABMM
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610114	519724544	/nfs/dbraw/zinc/72/45/44/519724544.db2.gz	TZZPNRROCMNVGS-MRXNPFEDSA-N	-1	1	438.488	2.029	40	0		IEABMM
CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610270	521548583	/nfs/dbraw/zinc/54/85/83/521548583.db2.gz	PLCGNNLFYPFBEA-AWEZNQCLSA-N	-1	1	425.489	2.469	40	0		IEABMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000020815524	524693441	/nfs/dbraw/zinc/69/34/41/524693441.db2.gz	CIXWRCRBVJMHKB-UHFFFAOYSA-N	-1	1	446.934	2.170	40	0		IEABMM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)c(Cl)c1[O-]	ZINC000408549271	555827255	/nfs/dbraw/zinc/82/72/55/555827255.db2.gz	RULHMYLXAROJGO-XBXARRHUSA-N	-1	1	433.642	2.273	40	0		IEABMM
CC(=O)N1CCc2nc([C@@H]3CCCCN3S(=O)(=O)Cc3cccc(C)c3)[n-]c(=O)c2C1	ZINC000019235089	556719450	/nfs/dbraw/zinc/71/94/50/556719450.db2.gz	DAHXCTFYUZQKGR-FQEVSTJZSA-N	-1	1	444.557	2.040	40	0		IEABMM
O=C(c1cccnc1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019337719	556739122	/nfs/dbraw/zinc/73/91/22/556739122.db2.gz	TZISWHGLIGPFTE-HXUWFJFHSA-N	-1	1	444.495	2.126	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3C)[n-]c(=O)c2C1	ZINC000019520411	556776308	/nfs/dbraw/zinc/77/63/08/556776308.db2.gz	NOJKLQZEWYPTRD-IBGZPJMESA-N	-1	1	444.557	2.154	40	0		IEABMM
COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c(OC)c1	ZINC000040390417	556814604	/nfs/dbraw/zinc/81/46/04/556814604.db2.gz	WHNKOTOSKMIKOE-OCCSQVGLSA-N	-1	1	441.488	2.230	40	0		IEABMM
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000223053575	557422115	/nfs/dbraw/zinc/42/21/15/557422115.db2.gz	SJLQWVWHOZQIBB-CJNGLKHVSA-N	-1	1	425.489	2.469	40	0		IEABMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000223675752	557500457	/nfs/dbraw/zinc/50/04/57/557500457.db2.gz	VDHKLKYTFAHUEE-UHFFFAOYSA-N	-1	1	437.587	2.349	40	0		IEABMM
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)n1	ZINC000004022993	557530503	/nfs/dbraw/zinc/53/05/03/557530503.db2.gz	HVEIJRPFCHFENC-GFOFROLCSA-N	-1	1	428.470	2.047	40	0		IEABMM
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)n1	ZINC000039962430	557671330	/nfs/dbraw/zinc/67/13/30/557671330.db2.gz	YRDYXRXWPWGRKW-NONVJHHQSA-N	-1	1	442.497	2.356	40	0		IEABMM
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)n1	ZINC000039962431	557671401	/nfs/dbraw/zinc/67/14/01/557671401.db2.gz	YRDYXRXWPWGRKW-BODMPHMZSA-N	-1	1	442.497	2.356	40	0		IEABMM
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000575422264	568863826	/nfs/dbraw/zinc/86/38/26/568863826.db2.gz	AXJGMCLMUDWTAR-OAHLLOKOSA-N	-1	1	428.919	2.058	40	0		IEABMM
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000575425245	568864748	/nfs/dbraw/zinc/86/47/48/568864748.db2.gz	RXPPNLLXNZZCIB-OAHLLOKOSA-N	-1	1	428.919	2.058	40	0		IEABMM
CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000012133030	525279970	/nfs/dbraw/zinc/27/99/70/525279970.db2.gz	XARWEANRHPTOHD-UHFFFAOYSA-N	-1	1	439.497	2.063	40	0		IEABMM
O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019014559	556691464	/nfs/dbraw/zinc/69/14/64/556691464.db2.gz	ASRYVMBGPIWJNW-RBUKOAKNSA-N	-1	1	428.533	2.077	40	0		IEABMM
Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)[n-]c(=O)c3C2)s1	ZINC000019216991	556712495	/nfs/dbraw/zinc/71/24/95/556712495.db2.gz	UMUTWDLWKVXLQC-SJORKVTESA-N	-1	1	442.541	2.181	40	0		IEABMM
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019239480	556725053	/nfs/dbraw/zinc/72/50/53/556725053.db2.gz	VJFBBKZRAAERAS-HXUWFJFHSA-N	-1	1	444.495	2.044	40	0		IEABMM
CCS(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2	ZINC000019520333	556776374	/nfs/dbraw/zinc/77/63/74/556776374.db2.gz	GIKCBLXKCKCPIA-GOSISDBHSA-N	-1	1	436.578	2.112	40	0		IEABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(C)c3)[n-]c(=O)c2C1	ZINC000019520405	556776434	/nfs/dbraw/zinc/77/64/34/556776434.db2.gz	GJYLWDVDMUKQCQ-IBGZPJMESA-N	-1	1	444.557	2.154	40	0		IEABMM
CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1	ZINC000019524160	556781369	/nfs/dbraw/zinc/78/13/69/556781369.db2.gz	HNEUBZZRLSKGQF-GOSISDBHSA-N	-1	1	438.532	2.039	40	0		IEABMM
CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388812	556812338	/nfs/dbraw/zinc/81/23/38/556812338.db2.gz	SJLQWVWHOZQIBB-XJKSGUPXSA-N	-1	1	425.489	2.469	40	0		IEABMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1	ZINC000225428126	557722139	/nfs/dbraw/zinc/72/21/39/557722139.db2.gz	FRICHBIWYUACBB-UHFFFAOYSA-N	-1	1	432.454	2.244	40	0		IEABMM
CN(Cc1ccc(F)cc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CCC(=O)[O-]	ZINC000257301375	568711982	/nfs/dbraw/zinc/71/19/82/568711982.db2.gz	RYFWHLJKXQZWOA-VKGYTVAMSA-N	-1	1	448.466	2.327	40	0		IEABMM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000107561188	569250447	/nfs/dbraw/zinc/25/04/47/569250447.db2.gz	PZEOIEFPSPZCIB-CXUHLZMHSA-N	-1	1	440.408	2.142	40	0		IEABMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000139112498	569254771	/nfs/dbraw/zinc/25/47/71/569254771.db2.gz	FFCCHRGUAWEAME-UONOGXRCSA-N	-1	1	439.472	2.332	40	0		IEABMM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)N1CCOCC1	ZINC000214261415	569256021	/nfs/dbraw/zinc/25/60/21/569256021.db2.gz	CIKOWVMPONGGIC-MDWZMJQESA-N	-1	1	427.276	2.050	40	0		IEABMM
CC(C)[C@@H](CO)Nc1nc(C(F)(F)F)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000328961505	569583358	/nfs/dbraw/zinc/58/33/58/569583358.db2.gz	BDKKEYYIAZXEEP-GFCCVEGCSA-N	-1	1	435.428	2.610	40	0		IEABMM