smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C	ZINC000000638204	551506665	/nfs/dbraw/zinc/50/66/65/551506665.db2.gz	FFJAFWSFKOSHNK-UHFFFAOYSA-N	-1	1	511.419	4.368	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1OC	ZINC000000658930	551514601	/nfs/dbraw/zinc/51/46/01/551514601.db2.gz	PIMINPLWCVWTGG-UHFFFAOYSA-N	-1	1	516.519	4.324	50	0		KIAAMM
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O	ZINC000000659801	551515303	/nfs/dbraw/zinc/51/53/03/551515303.db2.gz	DKZIDKDYDKAVOJ-UHFFFAOYSA-N	-1	1	522.048	4.108	50	0		KIAAMM
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O	ZINC000000659873	551515699	/nfs/dbraw/zinc/51/56/99/551515699.db2.gz	SCGPLHHBBXAKEH-UHFFFAOYSA-N	-1	1	555.600	4.473	50	0		KIAAMM
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O	ZINC000000980284	551591786	/nfs/dbraw/zinc/59/17/86/551591786.db2.gz	FCNXXCQZSYJPEW-UHFFFAOYSA-N	-1	1	571.599	4.310	50	0		KIAAMM
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000001059658	551600600	/nfs/dbraw/zinc/60/06/00/551600600.db2.gz	ZZVOUASMXDDFLQ-UHFFFAOYSA-N	-1	1	501.630	4.079	50	0		KIAAMM
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000001079791	551605526	/nfs/dbraw/zinc/60/55/26/551605526.db2.gz	LQGLSCUQHWRPBA-UHFFFAOYSA-N	-1	1	513.641	4.304	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c(OC)c1	ZINC000001096330	551607995	/nfs/dbraw/zinc/60/79/95/551607995.db2.gz	AAJSAOSURLKSIC-UHFFFAOYSA-N	-1	1	557.444	4.077	50	0		KIAAMM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1F	ZINC000001106541	551610176	/nfs/dbraw/zinc/61/01/76/551610176.db2.gz	HSQJMFCYZMPUBA-UHFFFAOYSA-N	-1	1	527.599	4.184	50	0		KIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1	ZINC000001138253	551616587	/nfs/dbraw/zinc/61/65/87/551616587.db2.gz	MZAOTJMCFKBSDZ-UHFFFAOYSA-N	-1	1	524.418	4.009	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1Br	ZINC000001147269	551618788	/nfs/dbraw/zinc/61/87/88/551618788.db2.gz	NTWSGAKUNPXUQA-UHFFFAOYSA-N	-1	1	515.382	4.198	50	0		KIAAMM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc2c(c1)OCCO2	ZINC000001150728	551619084	/nfs/dbraw/zinc/61/90/84/551619084.db2.gz	UROZHJFFKBQSPO-UHFFFAOYSA-N	-1	1	514.503	4.078	50	0		KIAAMM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000001157584	551619835	/nfs/dbraw/zinc/61/98/35/551619835.db2.gz	KVMZLWODZQIVNV-UHFFFAOYSA-N	-1	1	515.396	4.366	50	0		KIAAMM
CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2Br)cc1	ZINC000001195912	551622759	/nfs/dbraw/zinc/62/27/59/551622759.db2.gz	TZRSMEIHUYUZPB-UHFFFAOYSA-N	-1	1	517.357	4.403	50	0		KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000001276397	551635886	/nfs/dbraw/zinc/63/58/86/551635886.db2.gz	YJAORXRYIKPBMF-XPNTWCBSSA-N	-1	1	553.365	4.216	50	0		KIAAMM
O=S(=O)([N-]c1ccccc1O)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3ccccc3O)ccc1-2	ZINC000001410305	551664472	/nfs/dbraw/zinc/66/44/72/551664472.db2.gz	XEROYCPKIZOETP-UHFFFAOYSA-N	-1	1	508.577	4.271	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(=O)N1CCOCC1	ZINC000001426217	551669444	/nfs/dbraw/zinc/66/94/44/551669444.db2.gz	JCKXPPYGKROTLH-UHFFFAOYSA-N	-1	1	512.428	4.006	50	0		KIAAMM
Cc1cc(C)nc(NS(=O)(=O)c2ccc([N-]C(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)cc2)n1	ZINC000002050624	551738570	/nfs/dbraw/zinc/73/85/70/551738570.db2.gz	DLZADEWATNWXGT-UHFFFAOYSA-N	-1	1	527.491	4.289	50	0		KIAAMM
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)C(C)C)cc1	ZINC000002132454	551773024	/nfs/dbraw/zinc/77/30/24/551773024.db2.gz	ZIFTUWORMFTAEC-SANMLTNESA-N	-1	1	507.564	4.383	50	0	biogenic	KIAAMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1	ZINC000002134699	551773275	/nfs/dbraw/zinc/77/32/75/551773275.db2.gz	UKXAPHVPTGSURU-UHFFFAOYSA-N	-1	1	507.593	4.054	50	0		KIAAMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1	ZINC000002134720	551773507	/nfs/dbraw/zinc/77/35/07/551773507.db2.gz	AQKLKOVBVYNASL-UHFFFAOYSA-N	-1	1	522.029	4.255	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000002189661	551789143	/nfs/dbraw/zinc/78/91/43/551789143.db2.gz	XGRCSSULDWMLHI-VZIOXZNFSA-N	-1	1	557.466	4.054	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000002189663	551789162	/nfs/dbraw/zinc/78/91/62/551789162.db2.gz	XGRCSSULDWMLHI-QCHPHUCNSA-N	-1	1	557.466	4.054	50	0		KIAAMM
COC(=O)c1c([N-]C(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)sc2c1CCN(C)C2	ZINC000002306950	551808819	/nfs/dbraw/zinc/80/88/19/551808819.db2.gz	XCHFFIYETRKCLG-UHFFFAOYSA-N	-1	1	509.472	4.494	50	0		KIAAMM
Cc1ccc(CN2C(=O)[N-]C(=O)[C@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@@H]43)C2=O)cc1	ZINC000002339029	552097520	/nfs/dbraw/zinc/09/75/20/552097520.db2.gz	GKWJKKLIZKYWNT-WBBHLRKXSA-N	-1	1	533.588	4.077	50	0		KIAAMM
COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)c(OC)c1	ZINC000002375786	552106453	/nfs/dbraw/zinc/10/64/53/552106453.db2.gz	RPOXRMZHACUZAF-UHFFFAOYSA-N	-1	1	533.447	4.129	50	0		KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000002425895	552116723	/nfs/dbraw/zinc/11/67/23/552116723.db2.gz	DCADHTLNFGSTNF-XPNTWCBSSA-N	-1	1	508.914	4.107	50	0		KIAAMM
COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002561805	552129714	/nfs/dbraw/zinc/12/97/14/552129714.db2.gz	HVTZOQUTGBFRGA-UHFFFAOYSA-N	-1	1	501.401	4.258	50	0		KIAAMM
Nc1c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)[n-]c(=O)c2nc(=O)n1-c1ccccc1	ZINC000002571250	552130360	/nfs/dbraw/zinc/13/03/60/552130360.db2.gz	NSFMOXGGFZLEFF-UHFFFAOYSA-N	-1	1	526.862	4.408	50	0		KIAAMM
COC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc1)CCC2	ZINC000002631450	552140022	/nfs/dbraw/zinc/14/00/22/552140022.db2.gz	DSSKEUSHQKRRTD-UHFFFAOYSA-N	-1	1	542.635	4.237	50	0		KIAAMM
COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)n2)cc1	ZINC000002632747	552140256	/nfs/dbraw/zinc/14/02/56/552140256.db2.gz	BGLQUPFLXKJUDQ-UHFFFAOYSA-N	-1	1	581.628	4.186	50	0		KIAAMM
CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(I)cc3)cc2)c1	ZINC000002651376	552146669	/nfs/dbraw/zinc/14/66/69/552146669.db2.gz	ZWALTLJZIQFLEJ-UHFFFAOYSA-N	-1	1	535.363	4.303	50	0		KIAAMM
O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1	ZINC000002652084	552146941	/nfs/dbraw/zinc/14/69/41/552146941.db2.gz	OZGZGPJHIIECRI-UHFFFAOYSA-N	-1	1	516.417	4.339	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)Nc4ccc5c(c4)OCCO5)nc3c2)cc1	ZINC000002652336	552147129	/nfs/dbraw/zinc/14/71/29/552147129.db2.gz	XEEUUSHTODIWOH-UHFFFAOYSA-N	-1	1	527.580	4.139	50	0		KIAAMM
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1	ZINC000002658627	552149701	/nfs/dbraw/zinc/14/97/01/552149701.db2.gz	RWIWDSGJSONLLS-UHFFFAOYSA-N	-1	1	512.584	4.266	50	0		KIAAMM
COc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc(OC)c1OC	ZINC000002842846	552199639	/nfs/dbraw/zinc/19/96/39/552199639.db2.gz	OSEVAKNAEUYFBR-UHFFFAOYSA-N	-1	1	529.640	4.257	50	0		KIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2C)c1	ZINC000002871514	552206635	/nfs/dbraw/zinc/20/66/35/552206635.db2.gz	DWRALXODUVVCMW-UHFFFAOYSA-N	-1	1	501.630	4.061	50	0		KIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc2C)c(C)c1	ZINC000002872200	552206913	/nfs/dbraw/zinc/20/69/13/552206913.db2.gz	TXPCMIVLAANJHQ-UHFFFAOYSA-N	-1	1	507.612	4.137	50	0		KIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2C)c(C)c1	ZINC000002873662	552207176	/nfs/dbraw/zinc/20/71/76/552207176.db2.gz	RUZSBNPBVPFEBM-UHFFFAOYSA-N	-1	1	501.630	4.061	50	0		KIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)c1C	ZINC000002877820	552207930	/nfs/dbraw/zinc/20/79/30/552207930.db2.gz	SNSTVDOWEUIIHH-UHFFFAOYSA-N	-1	1	527.668	4.449	50	0		KIAAMM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1	ZINC000002880644	552208524	/nfs/dbraw/zinc/20/85/24/552208524.db2.gz	SXDKTDJAFCYSPA-UHFFFAOYSA-N	-1	1	565.673	4.471	50	0		KIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C	ZINC000002886370	552209347	/nfs/dbraw/zinc/20/93/47/552209347.db2.gz	OOQDSVARSARYTR-UHFFFAOYSA-N	-1	1	513.641	4.141	50	0		KIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c(NS(=O)(=O)c4ccc(NC(C)=O)cc4)cccc23)cc1	ZINC000002974343	552246725	/nfs/dbraw/zinc/24/67/25/552246725.db2.gz	HPDOWDYPEXZQRA-UHFFFAOYSA-N	-1	1	552.634	4.358	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000003002317	552252525	/nfs/dbraw/zinc/25/25/25/552252525.db2.gz	RKTDDPOSTNUVMC-WDONWYDGSA-N	-1	1	579.472	4.428	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000003002319	552252550	/nfs/dbraw/zinc/25/25/50/552252550.db2.gz	RKTDDPOSTNUVMC-GLSAMTQTSA-N	-1	1	579.472	4.428	50	0		KIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2N2CCCCC2)cc1	ZINC000003007823	552255702	/nfs/dbraw/zinc/25/57/02/552255702.db2.gz	MYZFQHVZXBQKSL-UHFFFAOYSA-N	-1	1	507.612	4.445	50	0		KIAAMM
O=S(=O)([N-]c1ccccc1)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1	ZINC000003012157	552259132	/nfs/dbraw/zinc/25/91/32/552259132.db2.gz	DYFMETANWUIWPK-UHFFFAOYSA-N	-1	1	528.633	4.121	50	0		KIAAMM
O=C(NCc1ccco1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000003021063	552263825	/nfs/dbraw/zinc/26/38/25/552263825.db2.gz	PSTKONHWJRTYBP-CTNGQTDRSA-N	-1	1	579.078	4.449	50	0		KIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1	ZINC000003058605	552281605	/nfs/dbraw/zinc/28/16/05/552281605.db2.gz	SUQOFZJPHXIHRH-JYFOCSDGSA-N	-1	1	500.648	4.122	50	0		KIAAMM
O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1	ZINC000003212576	552305826	/nfs/dbraw/zinc/30/58/26/552305826.db2.gz	NGTDFYAMOLMNSY-UHFFFAOYSA-N	-1	1	538.636	4.432	50	0		KIAAMM
O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000003215097	552306487	/nfs/dbraw/zinc/30/64/87/552306487.db2.gz	ZKTLRJIXLSOGMN-UHFFFAOYSA-N	-1	1	547.555	4.193	50	0		KIAAMM
COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)ccc1C	ZINC000003215536	552306982	/nfs/dbraw/zinc/30/69/82/552306982.db2.gz	VPECXYBBRIYFFB-UHFFFAOYSA-N	-1	1	570.649	4.462	50	0		KIAAMM
COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1	ZINC000003215743	552307290	/nfs/dbraw/zinc/30/72/90/552307290.db2.gz	QJLXSCQYCXOURS-UHFFFAOYSA-N	-1	1	570.649	4.462	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)N4CCc5ccccc5C4)nc3c2)cc1	ZINC000003220957	552310147	/nfs/dbraw/zinc/31/01/47/552310147.db2.gz	LTDYVPMSLUBVFF-UHFFFAOYSA-N	-1	1	509.609	4.314	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccc(OC)cc3)c3c4c(cccc42)C(=O)N3)cc1	ZINC000003232643	552315693	/nfs/dbraw/zinc/31/56/93/552315693.db2.gz	RIIWZIYTVYSZAQ-UHFFFAOYSA-N	-1	1	524.576	4.056	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)Nc4ccc(OC)cc4OC)nc3c2)cc1	ZINC000003233475	552316191	/nfs/dbraw/zinc/31/61/91/552316191.db2.gz	ALQGORVSBUHIBW-UHFFFAOYSA-N	-1	1	529.596	4.385	50	0		KIAAMM
CCOC(=O)Cc1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)n1	ZINC000003237168	552317347	/nfs/dbraw/zinc/31/73/47/552317347.db2.gz	IHTUZMYQYOSYAX-UHFFFAOYSA-N	-1	1	513.519	4.321	50	0		KIAAMM
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1	ZINC000003239963	552318121	/nfs/dbraw/zinc/31/81/21/552318121.db2.gz	LPAXKDAXQSDMIZ-KRWDZBQOSA-N	-1	1	510.568	4.005	50	0		KIAAMM
Cc1c([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)C(C)(C)C)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000003244947	552320198	/nfs/dbraw/zinc/32/01/98/552320198.db2.gz	MCJNHXHTQMAJMT-UHFFFAOYSA-N	-1	1	554.452	4.364	50	0		KIAAMM
COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(C)ccc3[O-])cn(CCc3ccc(OC)cc3)c2=O)cc1	ZINC000003252216	552322787	/nfs/dbraw/zinc/32/27/87/552322787.db2.gz	IVWLVQQNBWATHO-UHFFFAOYSA-N	-1	1	540.616	4.326	50	0	aggregator	KIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)ccc2C)cc1	ZINC000003265464	552328309	/nfs/dbraw/zinc/32/83/09/552328309.db2.gz	YIBOOYUFKIAFSB-UHFFFAOYSA-N	-1	1	515.638	4.370	50	0		KIAAMM
COCCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21	ZINC000003268945	552331070	/nfs/dbraw/zinc/33/10/70/552331070.db2.gz	XRWUWJGJSJEZKJ-UHFFFAOYSA-N	-1	1	556.662	4.408	50	0		KIAAMM
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl	ZINC000003285801	552337476	/nfs/dbraw/zinc/33/74/76/552337476.db2.gz	ZDMPULQHSZOXPC-UHFFFAOYSA-N	-1	1	563.813	4.356	50	0		KIAAMM
COc1ccc(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1	ZINC000003286353	552337688	/nfs/dbraw/zinc/33/76/88/552337688.db2.gz	LLXMBJVTBPNQMZ-UHFFFAOYSA-N	-1	1	504.358	4.298	50	0		KIAAMM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1cc(Cl)ccc1Cl	ZINC000003286464	552337672	/nfs/dbraw/zinc/33/76/72/552337672.db2.gz	WNBFJXNQBKXRDX-UHFFFAOYSA-N	-1	1	537.377	4.361	50	0		KIAAMM
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc([O-])cc3O)n2Cc2ccccc2)c1	ZINC000003286519	552337946	/nfs/dbraw/zinc/33/79/46/552337946.db2.gz	LXDOMJKMPOPUCS-UHFFFAOYSA-N	-1	1	552.678	4.410	50	0		KIAAMM
O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)Nc1ccc(I)cc1	ZINC000003287547	552338450	/nfs/dbraw/zinc/33/84/50/552338450.db2.gz	SXRPOVMGELBXDH-UHFFFAOYSA-N	-1	1	554.337	4.027	50	0		KIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(F)c3)c2)cc1	ZINC000003288237	552338911	/nfs/dbraw/zinc/33/89/11/552338911.db2.gz	INNBCNVHILWXMJ-UHFFFAOYSA-N	-1	1	506.939	4.474	50	0		KIAAMM
CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1	ZINC000003288563	552339070	/nfs/dbraw/zinc/33/90/70/552339070.db2.gz	XWQQBZUTUASWPK-UHFFFAOYSA-N	-1	1	524.595	4.352	50	0		KIAAMM
O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)Nc1cccc(I)c1	ZINC000003299477	552345497	/nfs/dbraw/zinc/34/54/97/552345497.db2.gz	LOFZQQIVRFCXIE-UHFFFAOYSA-N	-1	1	554.337	4.027	50	0		KIAAMM
CCOC(=O)c1sc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1C	ZINC000003309165	552350579	/nfs/dbraw/zinc/35/05/79/552350579.db2.gz	PAQNIJNHZFWEBC-UHFFFAOYSA-N	-1	1	502.570	4.058	50	0		KIAAMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000003316015	552353913	/nfs/dbraw/zinc/35/39/13/552353913.db2.gz	AMTNXOXMAHIMRY-UHFFFAOYSA-N	-1	1	557.419	4.367	50	0		KIAAMM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(N(C)C)cc1	ZINC000003325376	552357060	/nfs/dbraw/zinc/35/70/60/552357060.db2.gz	GJAYTYJMQFWPTN-MRXNPFEDSA-N	-1	1	546.443	4.500	50	0		KIAAMM
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)c1C	ZINC000003336087	552361049	/nfs/dbraw/zinc/36/10/49/552361049.db2.gz	UQEGHBAULUHNCY-UHFFFAOYSA-N	-1	1	516.547	4.096	50	0		KIAAMM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1nc(-c2ccccc2)cs1	ZINC000003339701	552362400	/nfs/dbraw/zinc/36/24/00/552362400.db2.gz	NVMIGSRMTMSSLV-UHFFFAOYSA-N	-1	1	551.602	4.178	50	0		KIAAMM
C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000003363608	552372508	/nfs/dbraw/zinc/37/25/08/552372508.db2.gz	PPGFTPRWNSPYOL-AWEZNQCLSA-N	-1	1	534.949	4.235	50	0		KIAAMM
C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000003363610	552372534	/nfs/dbraw/zinc/37/25/34/552372534.db2.gz	PPGFTPRWNSPYOL-CQSZACIVSA-N	-1	1	534.949	4.235	50	0		KIAAMM
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1C	ZINC000003379726	552377903	/nfs/dbraw/zinc/37/79/03/552377903.db2.gz	KJZSLNAPLLDBRP-INIZCTEOSA-N	-1	1	516.547	4.095	50	0		KIAAMM
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1C	ZINC000003379730	552377879	/nfs/dbraw/zinc/37/78/79/552377879.db2.gz	KJZSLNAPLLDBRP-MRXNPFEDSA-N	-1	1	516.547	4.095	50	0		KIAAMM
Cc1cc(C)c(NC(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)c(C)c1	ZINC000003421641	552383680	/nfs/dbraw/zinc/38/36/80/552383680.db2.gz	WSZNECKZOSBLRE-UHFFFAOYSA-N	-1	1	524.595	4.369	50	0		KIAAMM
COCCNC(=O)CSc1ccccc1C(=O)O[C@@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1	ZINC000003435399	552386289	/nfs/dbraw/zinc/38/62/89/552386289.db2.gz	GRRWFZXESXHJLY-AWEZNQCLSA-N	-1	1	529.665	4.486	50	0		KIAAMM
COCCNC(=O)CSc1ccccc1C(=O)O[C@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1	ZINC000003435402	552386358	/nfs/dbraw/zinc/38/63/58/552386358.db2.gz	GRRWFZXESXHJLY-CQSZACIVSA-N	-1	1	529.665	4.486	50	0		KIAAMM
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)C(C)C)cc1	ZINC000004510893	552462119	/nfs/dbraw/zinc/46/21/19/552462119.db2.gz	ZIFTUWORMFTAEC-AREMUKBSSA-N	-1	1	507.564	4.383	50	0		KIAAMM
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1	ZINC000004522175	552462407	/nfs/dbraw/zinc/46/24/07/552462407.db2.gz	LPAXKDAXQSDMIZ-QGZVFWFLSA-N	-1	1	510.568	4.005	50	0		KIAAMM
COc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c1C	ZINC000004544635	552465415	/nfs/dbraw/zinc/46/54/15/552465415.db2.gz	LKGHIEITYHYVED-SANMLTNESA-N	-1	1	608.717	4.195	50	0		KIAAMM
COc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c1C	ZINC000004544638	552465522	/nfs/dbraw/zinc/46/55/22/552465522.db2.gz	LKGHIEITYHYVED-AREMUKBSSA-N	-1	1	608.717	4.195	50	0		KIAAMM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(N(C)C)cc1	ZINC000004594489	552469284	/nfs/dbraw/zinc/46/92/84/552469284.db2.gz	GJAYTYJMQFWPTN-INIZCTEOSA-N	-1	1	546.443	4.500	50	0		KIAAMM
CCOCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000004647386	552470849	/nfs/dbraw/zinc/47/08/49/552470849.db2.gz	ILMSRAQXKFEGQR-IRLDBZIGSA-N	-1	1	585.126	4.083	50	0		KIAAMM
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1	ZINC000004647708	552471142	/nfs/dbraw/zinc/47/11/42/552471142.db2.gz	LOLIRVYMBLPNIS-HNNXBMFYSA-N	-1	1	502.495	4.152	50	0		KIAAMM
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1	ZINC000004647711	552471018	/nfs/dbraw/zinc/47/10/18/552471018.db2.gz	LOLIRVYMBLPNIS-OAHLLOKOSA-N	-1	1	502.495	4.152	50	0		KIAAMM
C[C@@H]1CCc2c(sc3nc(COC(=O)c4ccc(S(=O)(=O)[N-]c5ccccc5)cc4)[nH]c(=O)c23)C1	ZINC000004647734	552471203	/nfs/dbraw/zinc/47/12/03/552471203.db2.gz	ORPPPBQQVOCJCK-OAHLLOKOSA-N	-1	1	509.609	4.267	50	0		KIAAMM
C[C@H]1CCc2c(sc3nc(COC(=O)c4ccc(S(=O)(=O)[N-]c5ccccc5)cc4)[nH]c(=O)c23)C1	ZINC000004647735	552471175	/nfs/dbraw/zinc/47/11/75/552471175.db2.gz	ORPPPBQQVOCJCK-HNNXBMFYSA-N	-1	1	509.609	4.267	50	0		KIAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4ccc(NC(C)=O)cc4)ccc2-3)cc1	ZINC000005344948	552497716	/nfs/dbraw/zinc/49/77/16/552497716.db2.gz	FCSQZHBBBQTPBA-UHFFFAOYSA-N	-1	1	604.666	4.416	50	0		KIAAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)Nc4ccc(C(=O)OC)cc4)ccc2-3)cc1	ZINC000005345008	552497633	/nfs/dbraw/zinc/49/76/33/552497633.db2.gz	PLUYABCXZLHNLQ-UHFFFAOYSA-N	-1	1	592.651	4.433	50	0		KIAAMM
CCCCOC(=O)NC([N-]c1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000005729394	561697765	/nfs/dbraw/zinc/69/77/65/561697765.db2.gz	DZMSWCNJNHVUKE-UHFFFAOYSA-N	-1	1	545.462	4.045	50	0		KIAAMM
Cc1ccc(NC(=O)CN2CC(=O)Oc3ccccc32)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1	ZINC000006142828	552544300	/nfs/dbraw/zinc/54/43/00/552544300.db2.gz	QXSWHAMCZBNVRF-UHFFFAOYSA-N	-1	1	533.578	4.475	50	0		KIAAMM
COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(OC)c1	ZINC000006144523	552546722	/nfs/dbraw/zinc/54/67/22/552546722.db2.gz	RIOQEUMSWXZKCO-AWEZNQCLSA-N	-1	1	505.495	4.211	50	0		KIAAMM
COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(OC)c1	ZINC000006144524	552546680	/nfs/dbraw/zinc/54/66/80/552546680.db2.gz	RIOQEUMSWXZKCO-CQSZACIVSA-N	-1	1	505.495	4.211	50	0		KIAAMM
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)sc2c1	ZINC000006146468	552548257	/nfs/dbraw/zinc/54/82/57/552548257.db2.gz	IPNAIAOSVBLROM-UHFFFAOYSA-N	-1	1	523.564	4.031	50	0		KIAAMM
CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)c3)sc2c1	ZINC000006146469	552548288	/nfs/dbraw/zinc/54/82/88/552548288.db2.gz	OCSHVAKSCSASCC-UHFFFAOYSA-N	-1	1	523.564	4.031	50	0		KIAAMM
C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000006152482	552551780	/nfs/dbraw/zinc/55/17/80/552551780.db2.gz	ZBUXYBQEZWNQLG-HNNXBMFYSA-N	-1	1	550.511	4.461	50	0		KIAAMM
C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000006152484	552551706	/nfs/dbraw/zinc/55/17/06/552551706.db2.gz	ZBUXYBQEZWNQLG-OAHLLOKOSA-N	-1	1	550.511	4.461	50	0		KIAAMM
CCc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCc5ccccc5C4)c(=O)c3c2)cc1	ZINC000006181219	552561338	/nfs/dbraw/zinc/56/13/38/552561338.db2.gz	VZYJZIPTIAZUFF-UHFFFAOYSA-N	-1	1	501.608	4.114	50	0		KIAAMM
CCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O	ZINC000006181240	552561293	/nfs/dbraw/zinc/56/12/93/552561293.db2.gz	FFZPVNHWQCCVRC-UHFFFAOYSA-N	-1	1	506.422	4.036	50	0		KIAAMM
Cc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCc5ccccc5C4)c(=O)c3c2)cc1C	ZINC000006181276	552561709	/nfs/dbraw/zinc/56/17/09/552561709.db2.gz	FGWXMIRAJDBPCY-UHFFFAOYSA-N	-1	1	501.608	4.169	50	0		KIAAMM
CCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000006235134	552571870	/nfs/dbraw/zinc/57/18/70/552571870.db2.gz	DUDLAWYWTSZTRN-CTNGQTDRSA-N	-1	1	555.100	4.456	50	0		KIAAMM
O=C(NC1CCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000006235137	193873504	/nfs/dbraw/zinc/87/35/04/193873504.db2.gz	FWDYZHSGXJTIPB-CTNGQTDRSA-N	-1	1	550.656	4.084	50	0		KIAAMM
O=C(NCc1ccc(F)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000006235144	552571863	/nfs/dbraw/zinc/57/18/63/552571863.db2.gz	HZUOJOGPHBNAEV-GGAORHGYSA-N	-1	1	590.652	4.481	50	0		KIAAMM
O=C(NCCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000006235151	552572022	/nfs/dbraw/zinc/57/20/22/552572022.db2.gz	PEVAQUFVOJALDG-NOZRDPDXSA-N	-1	1	586.689	4.384	50	0		KIAAMM
CCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000006235181	552572037	/nfs/dbraw/zinc/57/20/37/552572037.db2.gz	KSBYPFFLLSMJFN-QUCCMNQESA-N	-1	1	541.073	4.066	50	0		KIAAMM
O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1)N1CCCC1	ZINC000006235185	552572116	/nfs/dbraw/zinc/57/21/16/552572116.db2.gz	PHYWNRWLVVBXFQ-CTNGQTDRSA-N	-1	1	553.084	4.162	50	0		KIAAMM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000006260015	552575531	/nfs/dbraw/zinc/57/55/31/552575531.db2.gz	OWJJMJVXCXEMMP-LBPRGKRZSA-N	-1	1	549.392	4.148	50	0		KIAAMM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000006260017	552575543	/nfs/dbraw/zinc/57/55/43/552575543.db2.gz	OWJJMJVXCXEMMP-GFCCVEGCSA-N	-1	1	549.392	4.148	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2)cc1	ZINC000006296474	552579086	/nfs/dbraw/zinc/57/90/86/552579086.db2.gz	GLPYPNHIDCVDOQ-UHFFFAOYSA-N	-1	1	543.667	4.313	50	0	aggregator	KIAAMM
CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1	ZINC000006296507	552579067	/nfs/dbraw/zinc/57/90/67/552579067.db2.gz	ZSTUWCYQWGUEFX-UHFFFAOYSA-N	-1	1	549.649	4.041	50	0		KIAAMM
CCOc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)cc1	ZINC000006296668	552579096	/nfs/dbraw/zinc/57/90/96/552579096.db2.gz	RMVICZSFTDXKGJ-UHFFFAOYSA-N	-1	1	505.596	4.024	50	0		KIAAMM
CCOc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N(CC)Cc4ccccc4)c(=O)c3c2)cc1	ZINC000006296679	552579050	/nfs/dbraw/zinc/57/90/50/552579050.db2.gz	SITDMRPLXWFGRX-UHFFFAOYSA-N	-1	1	519.623	4.414	50	0		KIAAMM
CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCCCCC3)c(=O)c2c1	ZINC000006296754	552579333	/nfs/dbraw/zinc/57/93/33/552579333.db2.gz	XOGHDTQLDIESLC-UHFFFAOYSA-N	-1	1	518.433	4.132	50	0		KIAAMM
CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1	ZINC000006296755	552579338	/nfs/dbraw/zinc/57/93/38/552579338.db2.gz	QGJBONUGUSHVTC-UHFFFAOYSA-N	-1	1	581.492	4.078	50	0		KIAAMM
CCCCN(CC)C(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O	ZINC000006296756	552579319	/nfs/dbraw/zinc/57/93/19/552579319.db2.gz	LPUROHURXATKDU-UHFFFAOYSA-N	-1	1	520.449	4.378	50	0		KIAAMM
CC(C)CNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000006348700	552581823	/nfs/dbraw/zinc/58/18/23/552581823.db2.gz	LJNOSUCJWASLPY-CTNGQTDRSA-N	-1	1	599.551	4.421	50	0		KIAAMM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1	ZINC000008382533	552985884	/nfs/dbraw/zinc/98/58/84/552985884.db2.gz	ISJVGTKSYPCLHT-UHFFFAOYSA-N	-1	1	584.764	4.362	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000008407354	553008167	/nfs/dbraw/zinc/00/81/67/553008167.db2.gz	WGYCTEWTKIKDET-KFVRLDSISA-N	-1	1	706.727	4.367	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000008407358	553008174	/nfs/dbraw/zinc/00/81/74/553008174.db2.gz	WGYCTEWTKIKDET-OJEAVSNDSA-N	-1	1	706.727	4.367	50	0		KIAAMM
O=C([O-])c1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)o1	ZINC000008443245	553045645	/nfs/dbraw/zinc/04/56/45/553045645.db2.gz	MKNYTWXLYJXONN-YVLHZVERSA-N	-1	1	579.144	4.473	50	0		KIAAMM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1C	ZINC000008576255	553078457	/nfs/dbraw/zinc/07/84/57/553078457.db2.gz	CSLQIIFDZNJJNW-UHFFFAOYSA-N	-1	1	562.576	4.424	50	0		KIAAMM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C	ZINC000008576259	553078433	/nfs/dbraw/zinc/07/84/33/553078433.db2.gz	UIVWNTAOLBKFDO-UHFFFAOYSA-N	-1	1	544.586	4.284	50	0		KIAAMM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)nc(C)n1	ZINC000008576267	553078329	/nfs/dbraw/zinc/07/83/29/553078329.db2.gz	SRZLYXLLHRNHED-UHFFFAOYSA-N	-1	1	555.613	4.086	50	0		KIAAMM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)n1	ZINC000008576270	553078320	/nfs/dbraw/zinc/07/83/20/553078320.db2.gz	JUOURJMCBWZIQR-UHFFFAOYSA-N	-1	1	555.613	4.086	50	0		KIAAMM
CC(=O)Nc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1	ZINC000008593899	553086933	/nfs/dbraw/zinc/08/69/33/553086933.db2.gz	FZUJDUKMVPOIFZ-IBGZPJMESA-N	-1	1	508.419	4.127	50	0		KIAAMM
Cn1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c(NCc3ccccc3)cc2n(C)c1=O	ZINC000008594572	553087609	/nfs/dbraw/zinc/08/76/09/553087609.db2.gz	UNTVXCJVTLTOGO-UHFFFAOYSA-N	-1	1	501.406	4.052	50	0		KIAAMM
COc1cc(OC)c(NC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1Cl	ZINC000008596341	553089971	/nfs/dbraw/zinc/08/99/71/553089971.db2.gz	YUIUWMMIGZBRGO-HXUWFJFHSA-N	-1	1	519.004	4.020	50	0	aggregator	KIAAMM
COc1cc(OC)c(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)cc1Cl	ZINC000008596342	553090323	/nfs/dbraw/zinc/09/03/23/553090323.db2.gz	YUIUWMMIGZBRGO-FQEVSTJZSA-N	-1	1	519.004	4.020	50	0	aggregator	KIAAMM
O=C(Nc1ccc(Br)cc1F)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000008596396	553090408	/nfs/dbraw/zinc/09/04/08/553090408.db2.gz	DRDWANWLLVCIMP-SFHVURJKSA-N	-1	1	521.393	4.251	50	0	aggregator	KIAAMM
O=C(Nc1ccc(Br)cc1F)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000008596399	553090430	/nfs/dbraw/zinc/09/04/30/553090430.db2.gz	DRDWANWLLVCIMP-GOSISDBHSA-N	-1	1	521.393	4.251	50	0	aggregator	KIAAMM
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000008596446	553090444	/nfs/dbraw/zinc/09/04/44/553090444.db2.gz	PUTNMQTZZMOFCN-SFHVURJKSA-N	-1	1	508.503	4.248	50	0		KIAAMM
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000008596449	553090300	/nfs/dbraw/zinc/09/03/00/553090300.db2.gz	PUTNMQTZZMOFCN-GOSISDBHSA-N	-1	1	508.503	4.248	50	0		KIAAMM
CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(Cl)c3)[n-]c2=O)cc1	ZINC000008604712	553097944	/nfs/dbraw/zinc/09/79/44/553097944.db2.gz	MYNHZIBSIZNSMC-UHFFFAOYSA-N	-1	1	510.012	4.424	50	0	aggregator	KIAAMM
CC(=O)Nc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1	ZINC000008609528	553100172	/nfs/dbraw/zinc/10/01/72/553100172.db2.gz	FZUJDUKMVPOIFZ-LJQANCHMSA-N	-1	1	508.419	4.127	50	0		KIAAMM
Cc1cc(C)nc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n(C)n4)s3)cc2)n1	ZINC000008637237	553106195	/nfs/dbraw/zinc/10/61/95/553106195.db2.gz	RBJVIFZLJOYBLY-UHFFFAOYSA-N	-1	1	572.616	4.176	50	0		KIAAMM
O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000008670695	553109952	/nfs/dbraw/zinc/10/99/52/553109952.db2.gz	KZCRAUMJMJZTDD-XQFWAAQXSA-N	-1	1	513.501	4.100	50	0		KIAAMM
COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2)cc1	ZINC000008686945	553116110	/nfs/dbraw/zinc/11/61/10/553116110.db2.gz	PDGDPHSOGCPBQP-UHFFFAOYSA-N	-1	1	559.666	4.019	50	0		KIAAMM
O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000008687121	553116284	/nfs/dbraw/zinc/11/62/84/553116284.db2.gz	KZCRAUMJMJZTDD-NOXFTYBFSA-N	-1	1	513.501	4.100	50	0		KIAAMM
CCOC(=O)c1ccc(-c2coc3cc(OC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)cc([O-])c3c2=O)o1	ZINC000008740142	553131846	/nfs/dbraw/zinc/13/18/46/553131846.db2.gz	CUPMZFVWNZHXLZ-INIZCTEOSA-N	-1	1	513.499	4.240	50	0	biogenic	KIAAMM
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[n-]2)cc1Cl	ZINC000008756736	553136267	/nfs/dbraw/zinc/13/62/67/553136267.db2.gz	NTCFNDSVYLMDKG-UHFFFAOYSA-N	-1	1	500.385	4.061	50	0		KIAAMM
CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1	ZINC000008757013	553136459	/nfs/dbraw/zinc/13/64/59/553136459.db2.gz	CAIYNUHOGGSSKF-UHFFFAOYSA-N	-1	1	501.630	4.442	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCCCCC3)ccc2N2CCOCC2)cc1	ZINC000008811789	553149341	/nfs/dbraw/zinc/14/93/41/553149341.db2.gz	FEQIBWAJXJXDDL-UHFFFAOYSA-N	-1	1	501.649	4.175	50	0		KIAAMM
COc1ccc(CCNC(=O)c2ccc(N3CCCC3)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1OC	ZINC000008811794	553149308	/nfs/dbraw/zinc/14/93/08/553149308.db2.gz	ILVFULUBCRSLRR-UHFFFAOYSA-N	-1	1	523.655	4.386	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(=O)Nc2nnc(C(F)(F)F)s2)cc1	ZINC000008857153	553168073	/nfs/dbraw/zinc/16/80/73/553168073.db2.gz	JECRQSPLJRXQOZ-UHFFFAOYSA-N	-1	1	504.537	4.097	50	0		KIAAMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc(C(=O)OC)c1	ZINC000008857459	553168040	/nfs/dbraw/zinc/16/80/40/553168040.db2.gz	OEMYBNWIQSNEPM-UHFFFAOYSA-N	-1	1	508.961	4.028	50	0		KIAAMM
COc1ccccc1-n1c(O)c2n(-c3ccc(Br)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O	ZINC000009042485	553202630	/nfs/dbraw/zinc/20/26/30/553202630.db2.gz	QWPGJRJYLKEKDS-RBBKRZOGSA-N	-1	1	504.340	4.075	50	0		KIAAMM
CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1	ZINC000009113591	553210778	/nfs/dbraw/zinc/21/07/78/553210778.db2.gz	HNRPZYVFGSJMRA-UHFFFAOYSA-N	-1	1	501.630	4.016	50	0		KIAAMM
Cc1nnc(NC(=O)CSc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)s2)s1	ZINC000009368197	553249379	/nfs/dbraw/zinc/24/93/79/553249379.db2.gz	IGUZANHDOBRINN-UHFFFAOYSA-N	-1	1	508.010	4.298	50	0		KIAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc(NC(=O)c4ccc(F)cc4)ccc3N3CCCCC[C@@H]32)C1=O	ZINC000009433938	553263558	/nfs/dbraw/zinc/26/35/58/553263558.db2.gz	SWZJGPKICBNJFC-SKCUWOTOSA-N	-1	1	506.578	4.246	50	0		KIAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc(NC(=O)c4ccc(F)cc4)ccc3N3CCCCC[C@@H]32)C1=O	ZINC000009433939	553263596	/nfs/dbraw/zinc/26/35/96/553263596.db2.gz	SWZJGPKICBNJFC-DFHRPNOPSA-N	-1	1	506.578	4.246	50	0		KIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2NCc2ccccc2Cl)c1	ZINC000009490095	553273509	/nfs/dbraw/zinc/27/35/09/553273509.db2.gz	XLLSITNEHYVTAJ-UHFFFAOYSA-N	-1	1	529.062	4.149	50	0		KIAAMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)OCC45CC6CC(CC(C6)C4)C5)cc3)cc2n(C)c1=O	ZINC000009526091	553277103	/nfs/dbraw/zinc/27/71/03/553277103.db2.gz	JZMUHYXYYOHSEC-UHFFFAOYSA-N	-1	1	509.628	4.051	50	0		KIAAMM
Cn1c2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)c(N3CCCCC3)cc2n(C)c(=O)c1=O	ZINC000009686023	553297349	/nfs/dbraw/zinc/29/73/49/553297349.db2.gz	BYNWGWCHOWLCQS-UHFFFAOYSA-N	-1	1	510.660	4.076	50	0		KIAAMM
O=C(Nc1ccc(Br)cc1)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000009692466	553297874	/nfs/dbraw/zinc/29/78/74/553297874.db2.gz	SOJFYDCDLJDXOY-SFHVURJKSA-N	-1	1	503.403	4.112	50	0		KIAAMM
O=C(Nc1ccc(Br)cc1)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000009692467	553297951	/nfs/dbraw/zinc/29/79/51/553297951.db2.gz	SOJFYDCDLJDXOY-GOSISDBHSA-N	-1	1	503.403	4.112	50	0		KIAAMM
CCOc1ccc(OCC)c(NC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)c1	ZINC000009692579	553298180	/nfs/dbraw/zinc/29/81/80/553298180.db2.gz	VDIDCMOIFHXEQU-JOCHJYFZSA-N	-1	1	512.613	4.147	50	0		KIAAMM
CCOc1ccc(OCC)c(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)c1	ZINC000009692580	553298176	/nfs/dbraw/zinc/29/81/76/553298176.db2.gz	VDIDCMOIFHXEQU-QFIPXVFZSA-N	-1	1	512.613	4.147	50	0		KIAAMM
CCc1nn2c(nc(COc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3OC)cc2=O)s1	ZINC000009858668	553313748	/nfs/dbraw/zinc/31/37/48/553313748.db2.gz	WIKWIYSOHYAOBS-UHFFFAOYSA-N	-1	1	521.624	4.145	50	0		KIAAMM
NS(=O)(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(Br)c2)cc1	ZINC000009934536	553318007	/nfs/dbraw/zinc/31/80/07/553318007.db2.gz	XULFTMGBFFJDSP-ROMGYVFFSA-N	-1	1	514.357	4.033	50	0		KIAAMM
CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3Cl)[n-]c2=O)cc1	ZINC000009941122	553319470	/nfs/dbraw/zinc/31/94/70/553319470.db2.gz	ZEKRESCSCPCAGK-UHFFFAOYSA-N	-1	1	506.049	4.374	50	0		KIAAMM
Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(=O)n(-c2ccccc2)n1C	ZINC000010076814	553327831	/nfs/dbraw/zinc/32/78/31/553327831.db2.gz	HAGVPBZSLWCCNF-UHFFFAOYSA-N	-1	1	504.612	4.463	50	0		KIAAMM
O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1	ZINC000012112476	553351425	/nfs/dbraw/zinc/35/14/25/553351425.db2.gz	ZQZCYXCEPWJXCY-UHFFFAOYSA-N	-1	1	518.664	4.350	50	0		KIAAMM
COC(=O)c1ccccc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1	ZINC000012112479	553351451	/nfs/dbraw/zinc/35/14/51/553351451.db2.gz	GLVAHPZBIPWCEF-UHFFFAOYSA-N	-1	1	507.593	4.427	50	0		KIAAMM
O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2	ZINC000012112497	553351492	/nfs/dbraw/zinc/35/14/92/553351492.db2.gz	ACURGRJGYNAYCJ-UHFFFAOYSA-N	-1	1	507.593	4.047	50	0		KIAAMM
COC(=O)c1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1	ZINC000012112500	553351445	/nfs/dbraw/zinc/35/14/45/553351445.db2.gz	OYLQDHCFHGABCD-UHFFFAOYSA-N	-1	1	507.593	4.427	50	0		KIAAMM
Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NCc3ccc4c(c3)OCO4)[n-]2)cc1	ZINC000012252272	553355574	/nfs/dbraw/zinc/35/55/74/553355574.db2.gz	QKIBYFGFQITXMI-UHFFFAOYSA-N	-1	1	521.620	4.355	50	0		KIAAMM
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000012252923	553355934	/nfs/dbraw/zinc/35/59/34/553355934.db2.gz	OAZRSBZUEOPBOM-UHFFFAOYSA-N	-1	1	521.620	4.355	50	0		KIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(=O)Nc2nnc(C(F)(F)F)s2)cc1	ZINC000012351731	553359154	/nfs/dbraw/zinc/35/91/54/553359154.db2.gz	CYBZSFLRWBLILR-UHFFFAOYSA-N	-1	1	531.563	4.047	50	0		KIAAMM
Cc1ccc(-n2cnnn2)cc1S(=O)(=O)[N-]c1ccc(C(=O)OCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000012462419	553367317	/nfs/dbraw/zinc/36/73/17/553367317.db2.gz	BZZJKBXIVAWLSA-UHFFFAOYSA-N	-1	1	507.616	4.145	50	0		KIAAMM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1	ZINC000012526199	553384213	/nfs/dbraw/zinc/38/42/13/553384213.db2.gz	LKNQTUINGHOEER-XMMPIXPASA-N	-1	1	509.628	4.072	50	0		KIAAMM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1	ZINC000012526200	553384080	/nfs/dbraw/zinc/38/40/80/553384080.db2.gz	LKNQTUINGHOEER-DEOSSOPVSA-N	-1	1	509.628	4.072	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)ccc2N2CCCC2)cc1	ZINC000012530529	553386018	/nfs/dbraw/zinc/38/60/18/553386018.db2.gz	PZQMJMHYQOKVQV-UHFFFAOYSA-N	-1	1	510.616	4.496	50	0		KIAAMM
Cn1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c2ccccc2c1=O	ZINC000012538864	553388355	/nfs/dbraw/zinc/38/83/55/553388355.db2.gz	QZRSUGCQFORFBE-UHFFFAOYSA-N	-1	1	502.474	4.005	50	0		KIAAMM
CSc1ncccc1C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000012547027	553392335	/nfs/dbraw/zinc/39/23/35/553392335.db2.gz	GNLHPJNSOYPXHX-UHFFFAOYSA-N	-1	1	519.048	4.347	50	0		KIAAMM
COC(=O)c1ccc(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	ZINC000012552694	553393198	/nfs/dbraw/zinc/39/31/98/553393198.db2.gz	AMLZGDOGVHYYPT-UHFFFAOYSA-N	-1	1	507.395	4.440	50	0		KIAAMM
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cc(-c2ccc(F)cc2)nc2ccccc21	ZINC000012561123	553394562	/nfs/dbraw/zinc/39/45/62/553394562.db2.gz	PRJCMAGBGCBJLS-UHFFFAOYSA-N	-1	1	507.543	4.020	50	0		KIAAMM
O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCN(Cc2ccccc2)CC1	ZINC000012562554	553394917	/nfs/dbraw/zinc/39/49/17/553394917.db2.gz	MZQQOZIADQEXEG-UHFFFAOYSA-N	-1	1	503.546	4.464	50	0		KIAAMM
CCOc1ccccc1N1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1	ZINC000012562950	553395145	/nfs/dbraw/zinc/39/51/45/553395145.db2.gz	NCAJASLXXSLVES-UHFFFAOYSA-N	-1	1	501.555	4.127	50	0		KIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c2)c(C)c1	ZINC000012563135	553395296	/nfs/dbraw/zinc/39/52/96/553395296.db2.gz	VMQLJNQGIYFMHI-UHFFFAOYSA-N	-1	1	513.641	4.141	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2N2CCOCC2)cc1	ZINC000012564494	553396204	/nfs/dbraw/zinc/39/62/04/553396204.db2.gz	LYBMZQCVMDMKFI-UHFFFAOYSA-N	-1	1	501.992	4.238	50	0		KIAAMM
CCN(CC)c1ccc(NC(=S)NC(=O)c2ccco2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1	ZINC000012579744	553398896	/nfs/dbraw/zinc/39/88/96/553398896.db2.gz	NQCVLQMARBCIDJ-UHFFFAOYSA-N	-1	1	502.618	4.062	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(=O)c4ccccc4o3)ccc2N2CCCC2)cc1	ZINC000012585032	553399611	/nfs/dbraw/zinc/39/96/11/553399611.db2.gz	QXSHPSJICVQDEX-UHFFFAOYSA-N	-1	1	519.579	4.455	50	0		KIAAMM
CCOc1ccc(C(=O)NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[O-])cc1	ZINC000012623157	553404087	/nfs/dbraw/zinc/40/40/87/553404087.db2.gz	LYBIRNJFFGKPRH-UHFFFAOYSA-N	-1	1	506.005	4.372	50	0		KIAAMM
CCOC(=O)c1ccc(-c2coc3cc(OC(=O)[C@H]4CCCN4C(=O)OC(C)(C)C)cc([O-])c3c2=O)o1	ZINC000012656651	553410635	/nfs/dbraw/zinc/41/06/35/553410635.db2.gz	CUPMZFVWNZHXLZ-MRXNPFEDSA-N	-1	1	513.499	4.240	50	0		KIAAMM
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1	ZINC000012870517	553423995	/nfs/dbraw/zinc/42/39/95/553423995.db2.gz	YKMYWWXPWRWLKV-FQEVSTJZSA-N	-1	1	502.999	4.174	50	0		KIAAMM
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1	ZINC000012870524	553423959	/nfs/dbraw/zinc/42/39/59/553423959.db2.gz	YKMYWWXPWRWLKV-HXUWFJFHSA-N	-1	1	502.999	4.174	50	0		KIAAMM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1	ZINC000012918071	553427354	/nfs/dbraw/zinc/42/73/54/553427354.db2.gz	FKKLOQUAIPHCGF-OAQYLSRUSA-N	-1	1	504.008	4.309	50	0		KIAAMM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1	ZINC000012918075	553427285	/nfs/dbraw/zinc/42/72/85/553427285.db2.gz	FKKLOQUAIPHCGF-NRFANRHFSA-N	-1	1	504.008	4.309	50	0		KIAAMM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1	ZINC000013109986	553448196	/nfs/dbraw/zinc/44/81/96/553448196.db2.gz	OXGKEUFOIYLBAS-UHFFFAOYSA-N	-1	1	523.076	4.243	50	0		KIAAMM
O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000013113302	553448612	/nfs/dbraw/zinc/44/86/12/553448612.db2.gz	QPVLTHIXPZOBCL-UHFFFAOYSA-N	-1	1	503.983	4.298	50	0		KIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)c1	ZINC000013129330	553450624	/nfs/dbraw/zinc/45/06/24/553450624.db2.gz	SFJSDAKVUQMHIS-UHFFFAOYSA-N	-1	1	513.641	4.141	50	0		KIAAMM
O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000013132575	553451671	/nfs/dbraw/zinc/45/16/71/553451671.db2.gz	KZCRAUMJMJZTDD-KKLQWCBXSA-N	-1	1	513.501	4.100	50	0		KIAAMM
COc1ccccc1NS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1	ZINC000013138068	553453467	/nfs/dbraw/zinc/45/34/67/553453467.db2.gz	SZEBJCQAGVJASJ-UHFFFAOYSA-N	-1	1	503.385	4.309	50	0		KIAAMM
COc1ccccc1N1N=C(C(=O)c2ccccc2)C2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@H]21	ZINC000013142417	553454512	/nfs/dbraw/zinc/45/45/12/553454512.db2.gz	MNXJOMXQWYDSAF-IRLDBZIGSA-N	-1	1	504.340	4.075	50	0		KIAAMM
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1	ZINC000013149700	553456341	/nfs/dbraw/zinc/45/63/41/553456341.db2.gz	ZVEVPTFIJCZUTL-UHFFFAOYSA-N	-1	1	522.048	4.422	50	0		KIAAMM
COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000013150159	553456519	/nfs/dbraw/zinc/45/65/19/553456519.db2.gz	DRAPMCSGQPWBQZ-HXUWFJFHSA-N	-1	1	507.395	4.308	50	0		KIAAMM
COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000013150160	553456499	/nfs/dbraw/zinc/45/64/99/553456499.db2.gz	DRAPMCSGQPWBQZ-FQEVSTJZSA-N	-1	1	507.395	4.308	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1	ZINC000013163294	553457067	/nfs/dbraw/zinc/45/70/67/553457067.db2.gz	HCCBVOXEIWDPCZ-UHFFFAOYSA-N	-1	1	520.991	4.356	50	0		KIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1	ZINC000013562409	553472093	/nfs/dbraw/zinc/47/20/93/553472093.db2.gz	SUQOFZJPHXIHRH-WHYMJUELSA-N	-1	1	500.648	4.122	50	0		KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000013778995	553490429	/nfs/dbraw/zinc/49/04/29/553490429.db2.gz	DCADHTLNFGSTNF-XJUOHMSHSA-N	-1	1	508.914	4.107	50	0		KIAAMM
COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)[O-]	ZINC000014210876	553506293	/nfs/dbraw/zinc/50/62/93/553506293.db2.gz	QFNHIDANIVGXPE-FNZWTVRRSA-N	-1	1	569.662	4.159	50	0	fda	KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=S)NC(=O)C3CCCC3)ccc2N2CCCCC2)cc1	ZINC000014360986	553514286	/nfs/dbraw/zinc/51/42/86/553514286.db2.gz	MJTZKZPTYPGEPI-UHFFFAOYSA-N	-1	1	516.689	4.490	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4ccccc4n3)ccc2N2CCOCC2)cc1	ZINC000014361256	553514549	/nfs/dbraw/zinc/51/45/49/553514549.db2.gz	HBXZADRTCPRMCU-UHFFFAOYSA-N	-1	1	518.595	4.133	50	0		KIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)n1	ZINC000015879508	553539927	/nfs/dbraw/zinc/53/99/27/553539927.db2.gz	ACPPEKOMNNFNLZ-UHFFFAOYSA-N	-1	1	521.064	4.322	50	0		KIAAMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1	ZINC000016250026	553557840	/nfs/dbraw/zinc/55/78/40/553557840.db2.gz	VFZJFJBKUYZGFK-UHFFFAOYSA-N	-1	1	508.021	4.097	50	0		KIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)cc1	ZINC000016293232	553559276	/nfs/dbraw/zinc/55/92/76/553559276.db2.gz	AVBQXEBEKHQNAR-UHFFFAOYSA-N	-1	1	513.641	4.141	50	0		KIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1	ZINC000016310534	553559729	/nfs/dbraw/zinc/55/97/29/553559729.db2.gz	NNXMMKBDWZUFAH-UHFFFAOYSA-N	-1	1	513.641	4.223	50	0		KIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2C)c1C	ZINC000016362140	553561186	/nfs/dbraw/zinc/56/11/86/553561186.db2.gz	AWRIDRNZCZFHCF-UHFFFAOYSA-N	-1	1	501.630	4.061	50	0		KIAAMM
Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c(=O)n(-c2ccccc2)n1C	ZINC000016425110	553563012	/nfs/dbraw/zinc/56/30/12/553563012.db2.gz	LASUBXDZUABLBV-UHFFFAOYSA-N	-1	1	504.612	4.463	50	0		KIAAMM
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000016426186	553562998	/nfs/dbraw/zinc/56/29/98/553562998.db2.gz	MCYASPMRTGYIPQ-UHFFFAOYSA-N	-1	1	501.630	4.079	50	0		KIAAMM
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1	ZINC000016426484	553563234	/nfs/dbraw/zinc/56/32/34/553563234.db2.gz	PEKUEKYVOFCPSX-UHFFFAOYSA-N	-1	1	513.519	4.130	50	0		KIAAMM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000017574545	553597961	/nfs/dbraw/zinc/59/79/61/553597961.db2.gz	BXDDVYBSQKEXPB-GFCCVEGCSA-N	-1	1	549.392	4.148	50	0		KIAAMM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000017574549	553598022	/nfs/dbraw/zinc/59/80/22/553598022.db2.gz	BXDDVYBSQKEXPB-LBPRGKRZSA-N	-1	1	549.392	4.148	50	0		KIAAMM
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc32)cc1	ZINC000017576653	553598218	/nfs/dbraw/zinc/59/82/18/553598218.db2.gz	IAQLXILFTHUWLF-MRXNPFEDSA-N	-1	1	537.569	4.214	50	0		KIAAMM
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc32)cc1	ZINC000017576657	553598206	/nfs/dbraw/zinc/59/82/06/553598206.db2.gz	IAQLXILFTHUWLF-INIZCTEOSA-N	-1	1	537.569	4.214	50	0		KIAAMM
COc1ccccc1N1N=C(C(=O)c2ccccc2)C2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@H]21	ZINC000018020875	553601334	/nfs/dbraw/zinc/60/13/34/553601334.db2.gz	MNXJOMXQWYDSAF-UNMCSNQZSA-N	-1	1	504.340	4.075	50	0		KIAAMM
COC(=O)c1sc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C(=O)OC)c1C	ZINC000020295133	553636150	/nfs/dbraw/zinc/63/61/50/553636150.db2.gz	IGBKYYIVEKAMOC-UHFFFAOYSA-N	-1	1	519.626	4.239	50	0		KIAAMM
COc1cc(/C=C2\SC(=N)N(c3nnc(C)s3)C2=O)c(Br)c(Br)c1[O-]	ZINC000020427200	553647969	/nfs/dbraw/zinc/64/79/69/553647969.db2.gz	WGQALNWFFLYORN-FIYBRRGESA-N	-1	1	506.201	4.141	50	0		KIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)c1C	ZINC000020472191	553657383	/nfs/dbraw/zinc/65/73/83/553657383.db2.gz	IFQURRFLKUBXLV-UHFFFAOYSA-N	-1	1	521.639	4.099	50	0		KIAAMM
Cc1c(CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)oc2cc(O)cc([O-])c12	ZINC000020573445	553674893	/nfs/dbraw/zinc/67/48/93/553674893.db2.gz	XYPGMQJNFJOQEY-UHFFFAOYSA-N	-1	1	520.532	4.267	50	0		KIAAMM
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c([O-])n(-c2ccc(C)cc2)c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000020611289	553679354	/nfs/dbraw/zinc/67/93/54/553679354.db2.gz	QPYJMKRUSAYLJJ-HHHXNRCGSA-N	-1	1	508.578	4.036	50	0	biogenic	KIAAMM
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])n(-c2ccc(C)cc2)c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000020611291	553679494	/nfs/dbraw/zinc/67/94/94/553679494.db2.gz	QPYJMKRUSAYLJJ-MHZLTWQESA-N	-1	1	508.578	4.036	50	0	biogenic	KIAAMM
CCc1nn2c(nc(COc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CC[C@@H](C)C6)cc3)cc2=O)s1	ZINC000020858746	553700219	/nfs/dbraw/zinc/70/02/19/553700219.db2.gz	DORDBONHPRXSHF-CYBMUJFWSA-N	-1	1	505.625	4.382	50	0		KIAAMM
CCc1nn2c(nc(COc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CC[C@H](C)C6)cc3)cc2=O)s1	ZINC000020858750	553700226	/nfs/dbraw/zinc/70/02/26/553700226.db2.gz	DORDBONHPRXSHF-ZDUSSCGKSA-N	-1	1	505.625	4.382	50	0		KIAAMM
O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2)on1	ZINC000020900534	553701370	/nfs/dbraw/zinc/70/13/70/553701370.db2.gz	ZOTDXAWPLNGPPU-UHFFFAOYSA-N	-1	1	512.501	4.232	50	0		KIAAMM
O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ncccn2)CC1)c1cc(-c2cccs2)on1	ZINC000020900550	553701358	/nfs/dbraw/zinc/70/13/58/553701358.db2.gz	FWOIQZYULBFNPC-UHFFFAOYSA-N	-1	1	500.540	4.154	50	0		KIAAMM
CCOC(=O)c1ccccc1NS(=O)(=O)[N-]C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000022779467	1064277387	/nfs/dbraw/zinc/27/73/87/1064277387.db2.gz	XQCNRMPQWYQHNN-UHFFFAOYSA-N	-1	1	517.567	4.466	50	0		KIAAMM
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)Cc3sc(Nc4ccccc4)nc3[O-])cc2)cc1	ZINC000022824426	553752179	/nfs/dbraw/zinc/75/21/79/553752179.db2.gz	QEZSCBLRPODZGQ-QHCPKHFHSA-N	-1	1	501.564	4.473	50	0		KIAAMM
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)Cc3sc(Nc4ccccc4)nc3[O-])cc2)cc1	ZINC000022824433	553752122	/nfs/dbraw/zinc/75/21/22/553752122.db2.gz	QEZSCBLRPODZGQ-HSZRJFAPSA-N	-1	1	501.564	4.473	50	0		KIAAMM
O=C(Cc1sc(Nc2ccccc2)nc1[O-])Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1	ZINC000022829524	553754331	/nfs/dbraw/zinc/75/43/31/553754331.db2.gz	XJSYIYKDFSZSRL-QFIPXVFZSA-N	-1	1	505.527	4.304	50	0		KIAAMM
O=C(Cc1sc(Nc2ccccc2)nc1[O-])Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1	ZINC000022829528	553754524	/nfs/dbraw/zinc/75/45/24/553754524.db2.gz	XJSYIYKDFSZSRL-JOCHJYFZSA-N	-1	1	505.527	4.304	50	0		KIAAMM
O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCN(c2ccccc2O)CC1	ZINC000024746030	553791304	/nfs/dbraw/zinc/79/13/04/553791304.db2.gz	OCMHWDUDMDJPNP-UHFFFAOYSA-N	-1	1	505.518	4.174	50	0		KIAAMM
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000025326380	553806366	/nfs/dbraw/zinc/80/63/66/553806366.db2.gz	RNVNSSFJSXYSKR-OAQYLSRUSA-N	-1	1	506.049	4.006	50	0		KIAAMM
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000025326382	553806389	/nfs/dbraw/zinc/80/63/89/553806389.db2.gz	RNVNSSFJSXYSKR-NRFANRHFSA-N	-1	1	506.049	4.006	50	0		KIAAMM
COc1ccc(Br)c(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cc(OC)cc(OC)c2)c1	ZINC000027527622	553830709	/nfs/dbraw/zinc/83/07/09/553830709.db2.gz	ZPCRGUGYWGAPIX-UHFFFAOYSA-N	-1	1	510.344	4.236	50	0		KIAAMM
COc1ccc(Br)c(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccc(OC)c(OC)c2)c1	ZINC000027528409	553831606	/nfs/dbraw/zinc/83/16/06/553831606.db2.gz	ZPKVOQAXVLGCAE-UHFFFAOYSA-N	-1	1	510.344	4.236	50	0		KIAAMM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000032109971	553863569	/nfs/dbraw/zinc/86/35/69/553863569.db2.gz	QUAQCBGSDPVKSL-UHFFFAOYSA-N	-1	1	515.396	4.366	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1Br	ZINC000032111872	553863619	/nfs/dbraw/zinc/86/36/19/553863619.db2.gz	WJQDNZFXPAKJFN-UHFFFAOYSA-N	-1	1	511.419	4.368	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1Br	ZINC000032111881	553863546	/nfs/dbraw/zinc/86/35/46/553863546.db2.gz	JVAMCOGHHNQQDE-UHFFFAOYSA-N	-1	1	511.419	4.368	50	0		KIAAMM
COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccccc5)cc4)cn3)n2)cc1OC	ZINC000032974758	553883794	/nfs/dbraw/zinc/88/37/94/553883794.db2.gz	KYZFLMQUUVQCQN-UHFFFAOYSA-N	-1	1	517.567	4.466	50	0		KIAAMM
CC(C)C[C@@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2)CC1	ZINC000032985147	553885545	/nfs/dbraw/zinc/88/55/45/553885545.db2.gz	FGRUHPRTTOREAZ-GOSISDBHSA-N	-1	1	514.623	4.430	50	0		KIAAMM
CC(C)C[C@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2)CC1	ZINC000032985148	553885573	/nfs/dbraw/zinc/88/55/73/553885573.db2.gz	FGRUHPRTTOREAZ-SFHVURJKSA-N	-1	1	514.623	4.430	50	0		KIAAMM
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cccc(Cl)c4C)ccc3n2)CC1	ZINC000032985280	553886204	/nfs/dbraw/zinc/88/62/04/553886204.db2.gz	COGUNBWZHBKDIP-UHFFFAOYSA-N	-1	1	503.024	4.228	50	0		KIAAMM
CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(Cl)c(Cl)c4)ccc3n2)CC1	ZINC000032985284	553886338	/nfs/dbraw/zinc/88/63/38/553886338.db2.gz	GJYNRQRCHPESMA-UHFFFAOYSA-N	-1	1	509.415	4.183	50	0		KIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1	ZINC000033025965	553890353	/nfs/dbraw/zinc/89/03/53/553890353.db2.gz	VKVCEJFHDZUOGY-UHFFFAOYSA-N	-1	1	516.417	4.269	50	0		KIAAMM
COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCCCC2)cc1	ZINC000033025982	553890466	/nfs/dbraw/zinc/89/04/66/553890466.db2.gz	WDMADLMRCHXLMB-AREMUKBSSA-N	-1	1	523.655	4.462	50	0		KIAAMM
COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCCCC2)cc1	ZINC000033025985	553890390	/nfs/dbraw/zinc/89/03/90/553890390.db2.gz	WDMADLMRCHXLMB-SANMLTNESA-N	-1	1	523.655	4.462	50	0		KIAAMM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1	ZINC000033028216	553891370	/nfs/dbraw/zinc/89/13/70/553891370.db2.gz	ORERRSCWWPJMEW-XMMPIXPASA-N	-1	1	509.628	4.072	50	0		KIAAMM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1	ZINC000033028217	553891263	/nfs/dbraw/zinc/89/12/63/553891263.db2.gz	ORERRSCWWPJMEW-DEOSSOPVSA-N	-1	1	509.628	4.072	50	0		KIAAMM
CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2)cc1	ZINC000033028298	553891317	/nfs/dbraw/zinc/89/13/17/553891317.db2.gz	PDMCEANFOLKQBG-JXMROGBWSA-N	-1	1	505.640	4.357	50	0		KIAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)Nc1ccc(Br)cc1	ZINC000033331767	553921284	/nfs/dbraw/zinc/92/12/84/553921284.db2.gz	LOBJALHRNPYPAX-UHFFFAOYSA-N	-1	1	503.397	4.373	50	0		KIAAMM
COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)cc1Cl	ZINC000033331780	553921034	/nfs/dbraw/zinc/92/10/34/553921034.db2.gz	MVNFNZUSVAQSSJ-UHFFFAOYSA-N	-1	1	501.008	4.142	50	0		KIAAMM
COC(=O)c1c([N-]C(NC(=O)c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)sc2c1CCN(C)C2	ZINC000033353749	553926773	/nfs/dbraw/zinc/92/67/73/553926773.db2.gz	QABGQUUNPRRJBR-UHFFFAOYSA-N	-1	1	525.471	4.194	50	0		KIAAMM
COc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(c2ccc(Cl)cc2)=NC3(C(F)(F)F)C(F)(F)F)cc1	ZINC000033354374	553929589	/nfs/dbraw/zinc/92/95/89/553929589.db2.gz	SSALUNUFORQWMI-UHFFFAOYSA-N	-1	1	518.801	4.380	50	0		KIAAMM
O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1	ZINC000033355675	553936156	/nfs/dbraw/zinc/93/61/56/553936156.db2.gz	AMXPMKBXMDKWES-UHFFFAOYSA-N	-1	1	536.654	4.490	50	0		KIAAMM
O=C(NCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000033357120	553946809	/nfs/dbraw/zinc/94/68/09/553946809.db2.gz	ACEADUIPINRSHK-VWNXMTODSA-N	-1	1	572.662	4.342	50	0		KIAAMM
O=C(NC1CCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000033357122	553946768	/nfs/dbraw/zinc/94/67/68/553946768.db2.gz	JBFONFWTSHYCDW-IRLDBZIGSA-N	-1	1	564.683	4.474	50	0		KIAAMM
O=C(NCc1cccs1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000033357137	553946798	/nfs/dbraw/zinc/94/67/98/553946798.db2.gz	PZYKBACWMMPLTI-IRLDBZIGSA-N	-1	1	618.737	4.036	50	0		KIAAMM
CC1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2[N-]S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000033357240	553947517	/nfs/dbraw/zinc/94/75/17/553947517.db2.gz	AORWJUDEWIMSAX-UHFFFAOYSA-N	-1	1	577.545	4.229	50	0		KIAAMM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc1)c2=O	ZINC000033357825	553951060	/nfs/dbraw/zinc/95/10/60/553951060.db2.gz	KCBVSXAKISUUSA-UHFFFAOYSA-N	-1	1	606.148	4.116	50	0		KIAAMM
CCOC(=O)[C@@H]1[C@@H](C(=O)c2cc(OC)ccc2OC)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3ccccc3N21	ZINC000033929227	553976831	/nfs/dbraw/zinc/97/68/31/553976831.db2.gz	RMTYIWZPJBPETB-ANOKCIKSSA-N	-1	1	524.573	4.240	50	0		KIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc2)cc1	ZINC000034667777	553982064	/nfs/dbraw/zinc/98/20/64/553982064.db2.gz	NOFGGAAWJNZPTB-UHFFFAOYSA-N	-1	1	505.427	4.460	50	0		KIAAMM
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cn2)CC1	ZINC000034667784	553982241	/nfs/dbraw/zinc/98/22/41/553982241.db2.gz	QATHUMVAAHJRAL-UHFFFAOYSA-N	-1	1	509.390	4.291	50	0		KIAAMM
COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000035238640	554041923	/nfs/dbraw/zinc/04/19/23/554041923.db2.gz	BEKYMFMGNICIGP-HSZRJFAPSA-N	-1	1	503.418	4.410	50	0	aggregator	KIAAMM
COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000035238642	554041907	/nfs/dbraw/zinc/04/19/07/554041907.db2.gz	BEKYMFMGNICIGP-QHCPKHFHSA-N	-1	1	503.418	4.410	50	0	aggregator	KIAAMM
COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4cccc(Cl)c4)ccc3O[C@H](C)C2=O)c1OC	ZINC000035910075	554094182	/nfs/dbraw/zinc/09/41/82/554094182.db2.gz	WNKWQOAAEFOTBM-MRXNPFEDSA-N	-1	1	517.003	4.468	50	0		KIAAMM
COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4cccc(Cl)c4)ccc3O[C@@H](C)C2=O)c1OC	ZINC000035910076	554094286	/nfs/dbraw/zinc/09/42/86/554094286.db2.gz	WNKWQOAAEFOTBM-INIZCTEOSA-N	-1	1	517.003	4.468	50	0		KIAAMM
COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(C)c(F)c4)ccc3O[C@@H](C)C2=O)c1OC	ZINC000035910077	554094228	/nfs/dbraw/zinc/09/42/28/554094228.db2.gz	QWYAWMDGSMILEQ-KRWDZBQOSA-N	-1	1	514.575	4.262	50	0		KIAAMM
COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(C)c(F)c4)ccc3O[C@H](C)C2=O)c1OC	ZINC000035910078	554094244	/nfs/dbraw/zinc/09/42/44/554094244.db2.gz	QWYAWMDGSMILEQ-QGZVFWFLSA-N	-1	1	514.575	4.262	50	0		KIAAMM
COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4cccc(Cl)c4)ccc3OCC2=O)c1OC	ZINC000035910083	554094192	/nfs/dbraw/zinc/09/41/92/554094192.db2.gz	HLUXQYSQGSSTRY-UHFFFAOYSA-N	-1	1	502.976	4.079	50	0		KIAAMM
COc1ccc(CN2Cc3cc([N-]S(=O)(=O)c4cccc(Cl)c4)ccc3O[C@H](C)C2=O)c(OC)c1	ZINC000035910090	554094168	/nfs/dbraw/zinc/09/41/68/554094168.db2.gz	SWOZRCBLEDSGAW-MRXNPFEDSA-N	-1	1	517.003	4.468	50	0		KIAAMM
COc1ccc(CN2Cc3cc([N-]S(=O)(=O)c4cccc(Cl)c4)ccc3O[C@@H](C)C2=O)c(OC)c1	ZINC000035910091	554094157	/nfs/dbraw/zinc/09/41/57/554094157.db2.gz	SWOZRCBLEDSGAW-INIZCTEOSA-N	-1	1	517.003	4.468	50	0		KIAAMM
COc1ccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(C)c(F)c4)ccc3O[C@@H](C)C2=O)c(OC)c1	ZINC000035910092	554094141	/nfs/dbraw/zinc/09/41/41/554094141.db2.gz	PRTHCXAEVOHEEF-KRWDZBQOSA-N	-1	1	514.575	4.262	50	0		KIAAMM
COc1ccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(C)c(F)c4)ccc3O[C@H](C)C2=O)c(OC)c1	ZINC000035910093	554094174	/nfs/dbraw/zinc/09/41/74/554094174.db2.gz	PRTHCXAEVOHEEF-QGZVFWFLSA-N	-1	1	514.575	4.262	50	0		KIAAMM
Cc1c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000038152765	554272781	/nfs/dbraw/zinc/27/27/81/554272781.db2.gz	PBYLUWGNLBBDEU-UHFFFAOYSA-N	-1	1	535.409	4.115	50	0		KIAAMM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc21	ZINC000040450289	554285124	/nfs/dbraw/zinc/28/51/24/554285124.db2.gz	IOYXFQMFSVNNSU-UHFFFAOYSA-N	-1	1	506.191	4.451	50	0		KIAAMM
CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c(Br)cc2C[C@H]1C	ZINC000040450630	554285493	/nfs/dbraw/zinc/28/54/93/554285493.db2.gz	GEOMKJHZAOTVRY-SECBINFHSA-N	-1	1	506.191	4.449	50	0		KIAAMM
CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c(Br)cc2C[C@@H]1C	ZINC000040450631	554285462	/nfs/dbraw/zinc/28/54/62/554285462.db2.gz	GEOMKJHZAOTVRY-VIFPVBQESA-N	-1	1	506.191	4.449	50	0		KIAAMM
O=C(NCc1ccc(F)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000049807700	554326246	/nfs/dbraw/zinc/32/62/46/554326246.db2.gz	CPAGKWRTCRNERV-VWNXMTODSA-N	-1	1	630.698	4.113	50	0		KIAAMM
Cc1ccc(CNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1	ZINC000049808038	554326278	/nfs/dbraw/zinc/32/62/78/554326278.db2.gz	LNGUCJYTXJNRCT-RSXGOPAZSA-N	-1	1	626.735	4.282	50	0		KIAAMM
COc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[n-]c(=O)n(-c4ccc(Cl)cc4)c3N2)c1	ZINC000053319514	554338722	/nfs/dbraw/zinc/33/87/22/554338722.db2.gz	CAUAFWWOMUGIMM-UHFFFAOYSA-N	-1	1	518.801	4.380	50	0		KIAAMM
COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12	ZINC000058540931	554364640	/nfs/dbraw/zinc/36/46/40/554364640.db2.gz	UUROSJLZNDSXRF-UHFFFAOYSA-N	-1	1	583.707	4.050	50	0	investigational	KIAAMM
O=C(NC1CCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000059515024	554402001	/nfs/dbraw/zinc/40/20/01/554402001.db2.gz	NDIRJMKOZPHDIW-GGAORHGYSA-N	-1	1	604.729	4.107	50	0		KIAAMM
O=C(NCCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000059523063	554404399	/nfs/dbraw/zinc/40/43/99/554404399.db2.gz	KPQTWMKTWJUMGW-RSXGOPAZSA-N	-1	1	626.735	4.017	50	0		KIAAMM
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1	ZINC000059612606	554412742	/nfs/dbraw/zinc/41/27/42/554412742.db2.gz	KYBICVCYFYOMRT-KRWDZBQOSA-N	-1	1	566.499	4.352	50	0		KIAAMM
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1	ZINC000059612613	554412724	/nfs/dbraw/zinc/41/27/24/554412724.db2.gz	KYBICVCYFYOMRT-QGZVFWFLSA-N	-1	1	566.499	4.352	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1I	ZINC000059620842	554414229	/nfs/dbraw/zinc/41/42/29/554414229.db2.gz	MKOBJLSKRJLXOE-UHFFFAOYSA-N	-1	1	562.382	4.041	50	0		KIAAMM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(F)cc2)cc1	ZINC000059626651	554414798	/nfs/dbraw/zinc/41/47/98/554414798.db2.gz	XVAOJBDWYMOAEU-UHFFFAOYSA-N	-1	1	569.636	4.469	50	0		KIAAMM
CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1	ZINC000059626705	554415212	/nfs/dbraw/zinc/41/52/12/554415212.db2.gz	BAJACUNWAMGJPG-UHFFFAOYSA-N	-1	1	550.058	4.057	50	0		KIAAMM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(OC)ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)OC)ccc21	ZINC000059627012	554415566	/nfs/dbraw/zinc/41/55/66/554415566.db2.gz	NIUQVXVIKYMXTL-UHFFFAOYSA-N	-1	1	584.628	4.023	50	0		KIAAMM
Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)ccc1Br	ZINC000059630764	554416366	/nfs/dbraw/zinc/41/63/66/554416366.db2.gz	GNKZWPNCYDAJGR-UHFFFAOYSA-N	-1	1	566.499	4.271	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1I	ZINC000059630816	554416356	/nfs/dbraw/zinc/41/63/56/554416356.db2.gz	NXNWYYKXDRWAIO-UHFFFAOYSA-N	-1	1	558.419	4.210	50	0		KIAAMM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc(Br)c1	ZINC000059641216	554416808	/nfs/dbraw/zinc/41/68/08/554416808.db2.gz	SLLWEPLOWGRNJN-UHFFFAOYSA-N	-1	1	572.890	4.308	50	0		KIAAMM
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1	ZINC000059651995	554419323	/nfs/dbraw/zinc/41/93/23/554419323.db2.gz	ZVGNKJBFIIAGBX-UHFFFAOYSA-N	-1	1	551.646	4.330	50	0		KIAAMM
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N(c1ccccc1)S(C)(=O)=O	ZINC000059652537	554419806	/nfs/dbraw/zinc/41/98/06/554419806.db2.gz	HYOYMIWPVDGIJS-INIZCTEOSA-N	-1	1	541.573	4.299	50	0		KIAAMM
C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N(c1ccccc1)S(C)(=O)=O	ZINC000059652545	554419787	/nfs/dbraw/zinc/41/97/87/554419787.db2.gz	HYOYMIWPVDGIJS-MRXNPFEDSA-N	-1	1	541.573	4.299	50	0		KIAAMM
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000060060480	554499451	/nfs/dbraw/zinc/49/94/51/554499451.db2.gz	IJGJNZQNGDBYRH-UHFFFAOYSA-N	-1	1	538.047	4.088	50	0		KIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cc2)cc1	ZINC000066129472	554528886	/nfs/dbraw/zinc/52/88/86/554528886.db2.gz	KYMDDNOHURNQNG-UHFFFAOYSA-N	-1	1	546.443	4.359	50	0		KIAAMM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(OC)c(OC)cc3Cc3nccc4cc(OC)c(OC)cc43)cc2c(=O)n(CC)c1=O	ZINC000079210340	553670446	/nfs/dbraw/zinc/67/04/46/553670446.db2.gz	JYCXKNSAZAEWJS-UHFFFAOYSA-N	-1	1	634.711	4.177	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3ccc(OC)cc3[nH]c2=O)cc1	ZINC000085875757	553688401	/nfs/dbraw/zinc/68/84/01/553688401.db2.gz	XQNDBBTVEQGEMT-SFHVURJKSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5ccc(OC)cc5[nH]c3=O)CC(=O)O4)c2=O)cc1	ZINC000085875757	553688399	/nfs/dbraw/zinc/68/83/99/553688399.db2.gz	XQNDBBTVEQGEMT-SFHVURJKSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3ccc(OC)cc3[nH]c2=O)cc1	ZINC000085875763	553688538	/nfs/dbraw/zinc/68/85/38/553688538.db2.gz	XQNDBBTVEQGEMT-GOSISDBHSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5ccc(OC)cc5[nH]c3=O)CC(=O)O4)c2=O)cc1	ZINC000085875763	553688533	/nfs/dbraw/zinc/68/85/33/553688533.db2.gz	XQNDBBTVEQGEMT-GOSISDBHSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3ccc(OC)cc3n(C)c2=O)cc1	ZINC000085876018	553688494	/nfs/dbraw/zinc/68/84/94/553688494.db2.gz	HGYKVCLPNCVCCM-IBGZPJMESA-N	-1	1	525.513	4.476	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5ccc(OC)cc5n(C)c3=O)CC(=O)O4)c2=O)cc1	ZINC000085876018	553688492	/nfs/dbraw/zinc/68/84/92/553688492.db2.gz	HGYKVCLPNCVCCM-IBGZPJMESA-N	-1	1	525.513	4.476	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3ccc(OC)cc3n(C)c2=O)cc1	ZINC000085876021	553688547	/nfs/dbraw/zinc/68/85/47/553688547.db2.gz	HGYKVCLPNCVCCM-LJQANCHMSA-N	-1	1	525.513	4.476	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5ccc(OC)cc5n(C)c3=O)CC(=O)O4)c2=O)cc1	ZINC000085876021	553688544	/nfs/dbraw/zinc/68/85/44/553688544.db2.gz	HGYKVCLPNCVCCM-LJQANCHMSA-N	-1	1	525.513	4.476	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc(OC)c3c(c2)OCCO3)cc1	ZINC000085876347	553689003	/nfs/dbraw/zinc/68/90/03/553689003.db2.gz	VBBWWBHXKKTQKY-KRWDZBQOSA-N	-1	1	502.475	4.395	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc(OC)c3c(c2)OCCO3)cc1	ZINC000085876350	553688948	/nfs/dbraw/zinc/68/89/48/553688948.db2.gz	VBBWWBHXKKTQKY-QGZVFWFLSA-N	-1	1	502.475	4.395	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3cc(OC)ccc3[nH]c2=O)cc1	ZINC000085876366	553689070	/nfs/dbraw/zinc/68/90/70/553689070.db2.gz	QNNHNYIQSFDNSW-SFHVURJKSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5cc(OC)ccc5[nH]c3=O)CC(=O)O4)c2=O)cc1	ZINC000085876366	553689067	/nfs/dbraw/zinc/68/90/67/553689067.db2.gz	QNNHNYIQSFDNSW-SFHVURJKSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3cc(OC)ccc3[nH]c2=O)cc1	ZINC000085876370	553688875	/nfs/dbraw/zinc/68/88/75/553688875.db2.gz	QNNHNYIQSFDNSW-GOSISDBHSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5cc(OC)ccc5[nH]c3=O)CC(=O)O4)c2=O)cc1	ZINC000085876370	553688873	/nfs/dbraw/zinc/68/88/73/553688873.db2.gz	QNNHNYIQSFDNSW-GOSISDBHSA-N	-1	1	511.486	4.465	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3cccc4c3n(c2=O)CC4)cc1	ZINC000085877922	553689410	/nfs/dbraw/zinc/68/94/10/553689410.db2.gz	QNRQMIKGDJENJJ-IBGZPJMESA-N	-1	1	507.498	4.486	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5cccc6c5n(c3=O)CC6)CC(=O)O4)c2=O)cc1	ZINC000085877922	553689409	/nfs/dbraw/zinc/68/94/09/553689409.db2.gz	QNRQMIKGDJENJJ-IBGZPJMESA-N	-1	1	507.498	4.486	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3cccc4c3n(c2=O)CC4)cc1	ZINC000085877926	553689317	/nfs/dbraw/zinc/68/93/17/553689317.db2.gz	QNRQMIKGDJENJJ-LJQANCHMSA-N	-1	1	507.498	4.486	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5cccc6c5n(c3=O)CC6)CC(=O)O4)c2=O)cc1	ZINC000085877926	553689313	/nfs/dbraw/zinc/68/93/13/553689313.db2.gz	QNRQMIKGDJENJJ-LJQANCHMSA-N	-1	1	507.498	4.486	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c(O)cc4c3[C@H](c3ccc(OCC(=O)[O-])c(OC)c3)CC(=O)O4)c2=O)cc1	ZINC000085879749	553690107	/nfs/dbraw/zinc/69/01/07/553690107.db2.gz	NADACZVNVSKPAW-KRWDZBQOSA-N	-1	1	518.474	4.087	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OCC(=O)[O-])c(OC)c2)cc1	ZINC000085879749	553690105	/nfs/dbraw/zinc/69/01/05/553690105.db2.gz	NADACZVNVSKPAW-KRWDZBQOSA-N	-1	1	518.474	4.087	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c(c(O)cc4c3[C@@H](c3ccc(OCC(=O)[O-])c(OC)c3)CC(=O)O4)c2=O)cc1	ZINC000085879754	553690039	/nfs/dbraw/zinc/69/00/39/553690039.db2.gz	NADACZVNVSKPAW-QGZVFWFLSA-N	-1	1	518.474	4.087	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OCC(=O)[O-])c(OC)c2)cc1	ZINC000085879754	553690035	/nfs/dbraw/zinc/69/00/35/553690035.db2.gz	NADACZVNVSKPAW-QGZVFWFLSA-N	-1	1	518.474	4.087	50	0	biogenic	KIAAMM
C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)C(=O)N1CCc2ccccc2C1	ZINC000089420202	553693785	/nfs/dbraw/zinc/69/37/85/553693785.db2.gz	BMARZCPWBIJXOK-INIZCTEOSA-N	-1	1	516.978	4.410	50	0		KIAAMM
C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)C(=O)N1CCc2ccccc2C1	ZINC000089420203	553693812	/nfs/dbraw/zinc/69/38/12/553693812.db2.gz	BMARZCPWBIJXOK-MRXNPFEDSA-N	-1	1	516.978	4.410	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000096022237	553720464	/nfs/dbraw/zinc/72/04/64/553720464.db2.gz	WGYCTEWTKIKDET-IISPMBILSA-N	-1	1	706.727	4.367	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000096022238	553720476	/nfs/dbraw/zinc/72/04/76/553720476.db2.gz	WGYCTEWTKIKDET-VZZQTLFRSA-N	-1	1	706.727	4.367	50	0		KIAAMM
CCCn1c(C(=O)NCCN2CCOCC2)cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21	ZINC000096276401	553733293	/nfs/dbraw/zinc/73/32/93/553733293.db2.gz	YNBGWLXAZPOPRG-UHFFFAOYSA-N	-1	1	526.703	4.212	50	0		KIAAMM
COc1ccc(C(NCCOCCOCCOCCOCCC(=O)[O-])(c2ccccc2)c2ccccc2)cc1	ZINC000096307097	553749368	/nfs/dbraw/zinc/74/93/68/553749368.db2.gz	GYKDOTFESKYBEM-UHFFFAOYSA-N	-1	1	537.653	4.118	50	0		KIAAMM
O=C(CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21)N1CCCCC1	ZINC000096324045	553751761	/nfs/dbraw/zinc/75/17/61/553751761.db2.gz	FLQNGUHIFMAROY-UHFFFAOYSA-N	-1	1	513.563	4.285	50	0		KIAAMM
O=C(CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21)N1CCCCC1	ZINC000096324079	553752145	/nfs/dbraw/zinc/75/21/45/553752145.db2.gz	OVZDNDJXBFMOJC-UHFFFAOYSA-N	-1	1	513.563	4.285	50	0		KIAAMM
O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000096592137	553756400	/nfs/dbraw/zinc/75/64/00/553756400.db2.gz	SKQFPHPKXZIZSJ-UHFFFAOYSA-N	-1	1	500.381	4.398	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000097944495	553769782	/nfs/dbraw/zinc/76/97/82/553769782.db2.gz	UTIBSVVUBIXGRI-XQJRBFNUSA-N	-1	1	669.335	4.270	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000097944496	553769820	/nfs/dbraw/zinc/76/98/20/553769820.db2.gz	UTIBSVVUBIXGRI-RZXXJPOTSA-N	-1	1	669.335	4.270	50	0		KIAAMM
COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000097945630	553773656	/nfs/dbraw/zinc/77/36/56/553773656.db2.gz	BHLDRCCUFVWCBN-UHFFFAOYSA-N	-1	1	532.669	4.155	50	0		KIAAMM
Cc1ccc(CN2C(=O)[N-]C(=O)[C@@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@@H]43)C2=O)cc1	ZINC000097956281	553837416	/nfs/dbraw/zinc/83/74/16/553837416.db2.gz	GKWJKKLIZKYWNT-XJFCNFDWSA-N	-1	1	533.588	4.077	50	0		KIAAMM
Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1Cl	ZINC000097958206	553852031	/nfs/dbraw/zinc/85/20/31/553852031.db2.gz	FAJBXHUTDHAZGD-UHFFFAOYSA-N	-1	1	522.812	4.060	50	0		KIAAMM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([O-])c(Br)c4)c(=O)n32)c1	ZINC000097958917	553858755	/nfs/dbraw/zinc/85/87/55/553858755.db2.gz	WKSFWXRKWSUZJK-ZDGAQAAHSA-N	-1	1	576.472	4.351	50	0		KIAAMM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([O-])c(Br)c4)c(=O)n32)c1	ZINC000097958918	553859079	/nfs/dbraw/zinc/85/90/79/553859079.db2.gz	WKSFWXRKWSUZJK-AQIZGWBQSA-N	-1	1	576.472	4.351	50	0		KIAAMM
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1	ZINC000097960030	553867760	/nfs/dbraw/zinc/86/77/60/553867760.db2.gz	UQFLHNJDINNKHI-UHFFFAOYSA-N	-1	1	531.468	4.251	50	0		KIAAMM
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1	ZINC000097960035	553868018	/nfs/dbraw/zinc/86/80/18/553868018.db2.gz	DVOIYENBHPVTSY-UHFFFAOYSA-N	-1	1	531.468	4.251	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)ccc2N2CCOCC2)cc1	ZINC000097980429	553988426	/nfs/dbraw/zinc/98/84/26/553988426.db2.gz	AKLQDXFVGDKTIT-WLRTZDKTSA-N	-1	1	553.637	4.002	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2N2CCOCC2)cc1	ZINC000097980430	553988491	/nfs/dbraw/zinc/98/84/91/553988491.db2.gz	KYYPOHJZPWRCDP-LFYBBSHMSA-N	-1	1	583.663	4.010	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)[C@H](C)NS(=O)(=O)/C=C/c3ccccc3)c2)cc1	ZINC000097980590	553989867	/nfs/dbraw/zinc/98/98/67/553989867.db2.gz	LCCAPNJMXYWYIS-ZWKQNVPVSA-N	-1	1	550.058	4.067	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)NS(=O)(=O)/C=C/c3ccccc3)c2)cc1	ZINC000097980591	553989891	/nfs/dbraw/zinc/98/98/91/553989891.db2.gz	LCCAPNJMXYWYIS-IAOULYHDSA-N	-1	1	550.058	4.067	50	0		KIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1	ZINC000097981269	553992547	/nfs/dbraw/zinc/99/25/47/553992547.db2.gz	DKMPEMHTCFGISU-UHFFFAOYSA-N	-1	1	524.418	4.009	50	0		KIAAMM
Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(I)cc3)c2)cc1	ZINC000097981289	553992673	/nfs/dbraw/zinc/99/26/73/553992673.db2.gz	SSUOXZIYLBLZSA-UHFFFAOYSA-N	-1	1	528.393	4.201	50	0		KIAAMM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)Nc2ccccc2OC)c1	ZINC000097981360	553993522	/nfs/dbraw/zinc/99/35/22/553993522.db2.gz	ODQIGBBCRHYOMR-UHFFFAOYSA-N	-1	1	528.656	4.150	50	0		KIAAMM
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000097982686	554004757	/nfs/dbraw/zinc/00/47/57/554004757.db2.gz	MRRCCVKWLHQLJB-NRFANRHFSA-N	-1	1	539.601	4.371	50	0		KIAAMM
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000097982687	554004697	/nfs/dbraw/zinc/00/46/97/554004697.db2.gz	MRRCCVKWLHQLJB-OAQYLSRUSA-N	-1	1	539.601	4.371	50	0		KIAAMM
COc1ccc(CCNc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1OC	ZINC000097985362	554023117	/nfs/dbraw/zinc/02/31/17/554023117.db2.gz	NQKPLUBGAFMVFN-UHFFFAOYSA-N	-1	1	634.677	4.482	50	0		KIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000097985370	554023137	/nfs/dbraw/zinc/02/31/37/554023137.db2.gz	SAIFXDBEWLGNHF-NOZRDPDXSA-N	-1	1	603.745	4.103	50	0		KIAAMM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccc(F)c(Cl)c1	ZINC000097999334	554042286	/nfs/dbraw/zinc/04/22/86/554042286.db2.gz	LEHJKXJBQMNLIZ-UHFFFAOYSA-N	-1	1	532.800	4.301	50	0		KIAAMM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccccc1Cl	ZINC000097999336	554042348	/nfs/dbraw/zinc/04/23/48/554042348.db2.gz	FYNZPYCDPIVPJD-UHFFFAOYSA-N	-1	1	514.810	4.162	50	0		KIAAMM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccc(Cl)cc1	ZINC000097999337	554042341	/nfs/dbraw/zinc/04/23/41/554042341.db2.gz	ISDRXVABMZJPAI-UHFFFAOYSA-N	-1	1	514.810	4.162	50	0		KIAAMM
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1Cl	ZINC000097999339	554042268	/nfs/dbraw/zinc/04/22/68/554042268.db2.gz	LVUVCLRLFXXGOU-UHFFFAOYSA-N	-1	1	544.836	4.170	50	0		KIAAMM
Cc1c(Cl)cccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1	ZINC000097999340	554042280	/nfs/dbraw/zinc/04/22/80/554042280.db2.gz	IZOIYFWFKRSFIY-UHFFFAOYSA-N	-1	1	528.837	4.470	50	0		KIAAMM
CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c1	ZINC000097999344	554042235	/nfs/dbraw/zinc/04/22/35/554042235.db2.gz	KXRLMIBXRCLYCT-UHFFFAOYSA-N	-1	1	526.459	4.230	50	0		KIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn(CC(=O)N4CCCCC4)c(=O)c4ccccc43)ccc2N2CCOCC2)cc1	ZINC000097999720	554045337	/nfs/dbraw/zinc/04/53/37/554045337.db2.gz	UTMVDEAMMGVEOP-UHFFFAOYSA-N	-1	1	601.729	4.022	50	0		KIAAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)c2cc(NS(=O)(=O)c4ccc(N5CCCC5=O)cc4)ccc2C3)cc1	ZINC000098005842	554059227	/nfs/dbraw/zinc/05/92/27/554059227.db2.gz	IEMRQMAXHWABLG-UHFFFAOYSA-N	-1	1	706.824	4.279	50	0		KIAAMM
CCOCCCn1c(=O)c2ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc2[n-]c1=S	ZINC000098049331	554165132	/nfs/dbraw/zinc/16/51/32/554165132.db2.gz	PPSOCJZCULQEQR-UHFFFAOYSA-N	-1	1	544.121	4.081	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3OC)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000098049693	554168180	/nfs/dbraw/zinc/16/81/80/554168180.db2.gz	JVUBEVUCESPMMQ-RDGATRHJSA-N	-1	1	614.724	4.220	50	0		KIAAMM
COc1ccccc1CNc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1	ZINC000098049709	554168549	/nfs/dbraw/zinc/16/85/49/554168549.db2.gz	CSUXOPNEBGTWEK-UHFFFAOYSA-N	-1	1	590.624	4.431	50	0		KIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2NCCc2ccc(Cl)cc2)c1	ZINC000098049724	554168553	/nfs/dbraw/zinc/16/85/53/554168553.db2.gz	FLQKPEWSABGPQA-UHFFFAOYSA-N	-1	1	543.089	4.192	50	0		KIAAMM
CCOC(=O)N1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)c(S(=O)(=O)[N-]c3cccc(OC)c3)c2)CC1	ZINC000098049725	554168575	/nfs/dbraw/zinc/16/85/75/554168575.db2.gz	FRJIVVJPLJIKAK-UHFFFAOYSA-N	-1	1	570.643	4.162	50	0		KIAAMM
CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)c2c1	ZINC000098049778	554169000	/nfs/dbraw/zinc/16/90/00/554169000.db2.gz	QYESJEIUKBAMAU-QFIPXVFZSA-N	-1	1	535.622	4.158	50	0		KIAAMM
CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)c(=O)c2c1	ZINC000098049779	554169139	/nfs/dbraw/zinc/16/91/39/554169139.db2.gz	QYESJEIUKBAMAU-JOCHJYFZSA-N	-1	1	535.622	4.158	50	0		KIAAMM
COc1ccc(Br)c(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)c1	ZINC000098050199	554172912	/nfs/dbraw/zinc/17/29/12/554172912.db2.gz	PXAYOWVCMVEVHG-UHFFFAOYSA-N	-1	1	540.370	4.244	50	0		KIAAMM
COc1ccccc1-n1c(O)c2n(-c3ccc(Br)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O	ZINC000100487468	554402621	/nfs/dbraw/zinc/40/26/21/554402621.db2.gz	QWPGJRJYLKEKDS-UNMCSNQZSA-N	-1	1	504.340	4.075	50	0		KIAAMM
COc1ccccc1-n1c(O)c2n(-c3ccc(Br)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O	ZINC000100487473	554402589	/nfs/dbraw/zinc/40/25/89/554402589.db2.gz	QWPGJRJYLKEKDS-IRLDBZIGSA-N	-1	1	504.340	4.075	50	0		KIAAMM
COc1ccccc1-n1c(O)c2n(-c3ccc(Br)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O	ZINC000100487481	554402651	/nfs/dbraw/zinc/40/26/51/554402651.db2.gz	QWPGJRJYLKEKDS-IFMALSPDSA-N	-1	1	504.340	4.075	50	0		KIAAMM
Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c1	ZINC000100519922	554409231	/nfs/dbraw/zinc/40/92/31/554409231.db2.gz	JHMUQIZIPLJEHW-SANMLTNESA-N	-1	1	578.691	4.187	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	ZINC000100683990	554448956	/nfs/dbraw/zinc/44/89/56/554448956.db2.gz	OVHJBRVTFHNMIO-RWTNITNYSA-N	-1	1	587.492	4.064	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	ZINC000100683995	554448914	/nfs/dbraw/zinc/44/89/14/554448914.db2.gz	OVHJBRVTFHNMIO-MFUBYVTQSA-N	-1	1	587.492	4.064	50	0		KIAAMM
CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cc(S(=O)(=O)CC)ccc3[O-])C2=O)cc1	ZINC000100898237	554514096	/nfs/dbraw/zinc/51/40/96/554514096.db2.gz	LRRYPJCXWDFPBY-JWGURIENSA-N	-1	1	520.563	4.003	50	0		KIAAMM
COc1ccccc1N1N=C(C(=O)c2ccccc2)C2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@@H]21	ZINC000100937387	554531120	/nfs/dbraw/zinc/53/11/20/554531120.db2.gz	MNXJOMXQWYDSAF-IFMALSPDSA-N	-1	1	504.340	4.075	50	0		KIAAMM
COc1ccccc1N1N=C(C(=O)c2ccccc2)C2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@@H]21	ZINC000100937393	554531302	/nfs/dbraw/zinc/53/13/02/554531302.db2.gz	MNXJOMXQWYDSAF-RBBKRZOGSA-N	-1	1	504.340	4.075	50	0		KIAAMM
O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCOCC1	ZINC000100981088	554547773	/nfs/dbraw/zinc/54/77/73/554547773.db2.gz	PQSNVOCFEZPDKY-UHFFFAOYSA-N	-1	1	544.001	4.056	50	0		KIAAMM
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc21	ZINC000101061607	554570339	/nfs/dbraw/zinc/57/03/39/554570339.db2.gz	CLUUBNCSCDXXOY-UHFFFAOYSA-N	-1	1	518.202	4.451	50	0		KIAAMM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c(Cl)c1	ZINC000101272938	554701172	/nfs/dbraw/zinc/70/11/72/554701172.db2.gz	SHRDQPNJBKXFKT-UHFFFAOYSA-N	-1	1	528.837	4.058	50	0		KIAAMM
COc1ccccc1N1CCN(C(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1	ZINC000101290998	554708198	/nfs/dbraw/zinc/70/81/98/554708198.db2.gz	TWKKXZMMLUAITC-UHFFFAOYSA-N	-1	1	548.690	4.359	50	0		KIAAMM
O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000101291134	554708251	/nfs/dbraw/zinc/70/82/51/554708251.db2.gz	OLIFUXGXNNZOQG-UHFFFAOYSA-N	-1	1	536.654	4.490	50	0		KIAAMM
Cc1ccc(NC(=O)c2[n-]cnc2N=c2sc(C(=O)N3CCCCC3)c(N)n2-c2ccccc2)cc1	ZINC000101387003	554752968	/nfs/dbraw/zinc/75/29/68/554752968.db2.gz	FBWOLGKQWJMQBQ-ZXPTYKNPSA-N	-1	1	501.616	4.263	50	0		KIAAMM
Cc1ccc(NC(=O)c2nc[n-]c2N=c2sc(C(=O)N3CCCCC3)c(N)n2-c2ccccc2)cc1	ZINC000101387003	554752964	/nfs/dbraw/zinc/75/29/64/554752964.db2.gz	FBWOLGKQWJMQBQ-ZXPTYKNPSA-N	-1	1	501.616	4.263	50	0		KIAAMM
CC(=O)NCCNC(=O)c1cc(NCc2ccc3ccccc3c2)cc(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000101479344	1064276003	/nfs/dbraw/zinc/27/60/03/1064276003.db2.gz	RWLKCMKAKIIBRX-UHFFFAOYSA-N	-1	1	530.650	4.427	50	0		KIAAMM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1Cl	ZINC000101511708	554792941	/nfs/dbraw/zinc/79/29/41/554792941.db2.gz	NSGQDPXHZCYRDP-UHFFFAOYSA-N	-1	1	528.837	4.058	50	0		KIAAMM
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000101793616	554839254	/nfs/dbraw/zinc/83/92/54/554839254.db2.gz	WUOBOKFCIAHMLO-UHFFFAOYSA-N	-1	1	530.027	4.284	50	0		KIAAMM
COc1ccc(-n2c([O-])c(Cc3ccccc3)c(=O)nc2SCC(=O)Nc2ccccc2OC)cc1	ZINC000101794185	554839163	/nfs/dbraw/zinc/83/91/63/554839163.db2.gz	MINYHHCILBTENW-UHFFFAOYSA-N	-1	1	503.580	4.277	50	0		KIAAMM
COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCN(c4ncccn4)CC3)no2)cc1	ZINC000101917520	554850883	/nfs/dbraw/zinc/85/08/83/554850883.db2.gz	LMFPPDVGIXRRNY-UHFFFAOYSA-N	-1	1	524.537	4.101	50	0		KIAAMM
O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000102137421	554887793	/nfs/dbraw/zinc/88/77/93/554887793.db2.gz	KZCRAUMJMJZTDD-JXHRLWIKSA-N	-1	1	513.501	4.100	50	0		KIAAMM
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(Br)cc4)ccc3n2)CC1	ZINC000102314153	554910616	/nfs/dbraw/zinc/91/06/16/554910616.db2.gz	IAARWTLQNDWPPK-UHFFFAOYSA-N	-1	1	533.448	4.028	50	0		KIAAMM
O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21	ZINC000102314633	554911048	/nfs/dbraw/zinc/91/10/48/554911048.db2.gz	XIEIJMFMFJRLSU-UHFFFAOYSA-N	-1	1	524.002	4.109	50	0		KIAAMM
COc1ccc(CNc2cc(C(=O)NCc3cccnc3)cc(S(=O)(=O)[N-]c3ccccc3)c2)cc1OC	ZINC000102388256	1064285941	/nfs/dbraw/zinc/28/59/41/1064285941.db2.gz	WNVJBRZUBDRMKL-UHFFFAOYSA-N	-1	1	532.622	4.442	50	0		KIAAMM
O=C(NCCCn1ccnc1)c1cc(NCc2ccc3c(c2)CCO3)cc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000102389327	1064286747	/nfs/dbraw/zinc/28/67/47/1064286747.db2.gz	QZCGIUKFRHZOOC-UHFFFAOYSA-N	-1	1	531.638	4.051	50	0		KIAAMM
O=C(NCc1cccnc1)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000102396297	1064286519	/nfs/dbraw/zinc/28/65/19/1064286519.db2.gz	ZFKCCDNUNXKICQ-UHFFFAOYSA-N	-1	1	530.606	4.196	50	0		KIAAMM
COc1ccccc1NC(=O)CSc1nc(=O)c(Cc2ccccc2)c([O-])n1-c1ccccc1OC	ZINC000102527745	554952853	/nfs/dbraw/zinc/95/28/53/554952853.db2.gz	BYFZMXTUWGSNJM-UHFFFAOYSA-N	-1	1	503.580	4.277	50	0		KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102553582	554963090	/nfs/dbraw/zinc/96/30/90/554963090.db2.gz	YJAORXRYIKPBMF-XJUOHMSHSA-N	-1	1	553.365	4.216	50	0		KIAAMM
O=C(CSc1ncc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1)NCCc1ccc(Cl)cc1	ZINC000102606427	554979358	/nfs/dbraw/zinc/97/93/58/554979358.db2.gz	DLWIFRFATCEDIR-UHFFFAOYSA-N	-1	1	532.858	4.014	50	0		KIAAMM
O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000102755169	555047085	/nfs/dbraw/zinc/04/70/85/555047085.db2.gz	WKVWESCYTWXKLD-UHFFFAOYSA-N	-1	1	572.131	4.330	50	0		KIAAMM
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1	ZINC000102755308	555047071	/nfs/dbraw/zinc/04/70/71/555047071.db2.gz	ROAARSMZZXFUND-UHFFFAOYSA-N	-1	1	592.121	4.432	50	0		KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102755679	555048026	/nfs/dbraw/zinc/04/80/26/555048026.db2.gz	DCADHTLNFGSTNF-MQSCRBSSSA-N	-1	1	508.914	4.107	50	0		KIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCCN3CCOCC3)ccc2NCCc2ccc(Cl)cc2)c1	ZINC000102770010	555057500	/nfs/dbraw/zinc/05/75/00/555057500.db2.gz	ZYRITHTVKMIGRE-UHFFFAOYSA-N	-1	1	574.099	4.293	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(F)cc3Cl)ccc2N2CCOCC2)cc1	ZINC000102784378	555067292	/nfs/dbraw/zinc/06/72/92/555067292.db2.gz	HDUKXQWHHLNNNG-UHFFFAOYSA-N	-1	1	534.009	4.055	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cc(Br)ccc3OC)ccc2N2CCOCC2)cc1	ZINC000102784400	555067212	/nfs/dbraw/zinc/06/72/12/555067212.db2.gz	PVEHPECRSRTOGB-UHFFFAOYSA-N	-1	1	590.496	4.034	50	0		KIAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc(NC(=O)c4ccc(F)cc4)ccc3N3CCCCC[C@H]32)C1=O	ZINC000102787095	555067745	/nfs/dbraw/zinc/06/77/45/555067745.db2.gz	SWZJGPKICBNJFC-RBISFHTESA-N	-1	1	506.578	4.246	50	0		KIAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc(NC(=O)c4ccc(F)cc4)ccc3N3CCCCC[C@H]32)C1=O	ZINC000102787098	555067778	/nfs/dbraw/zinc/06/77/78/555067778.db2.gz	SWZJGPKICBNJFC-DWACAAAGSA-N	-1	1	506.578	4.246	50	0		KIAAMM
CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1	ZINC000102892389	555128751	/nfs/dbraw/zinc/12/87/51/555128751.db2.gz	FAGDOUZLGLKZLM-UHFFFAOYSA-N	-1	1	542.466	4.226	50	0		KIAAMM
CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)c2)CC1	ZINC000102918965	555144601	/nfs/dbraw/zinc/14/46/01/555144601.db2.gz	FPMWZMMTZDIGHL-UHFFFAOYSA-N	-1	1	536.400	4.039	50	0		KIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3ncc(Br)s3)c2)cc1	ZINC000102923253	555147830	/nfs/dbraw/zinc/14/78/30/555147830.db2.gz	HYVFFNPQMRKYAA-UHFFFAOYSA-N	-1	1	524.418	4.119	50	0		KIAAMM
CCOc1ccccc1Nc1sc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c(N)c1C(=O)OCCOC	ZINC000102926358	555150707	/nfs/dbraw/zinc/15/07/07/555150707.db2.gz	APBZACKPHJEPRG-HXUWFJFHSA-N	-1	1	545.486	4.368	50	0		KIAAMM
CCOc1ccccc1Nc1sc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c(N)c1C(=O)OCCOC	ZINC000102926362	555150666	/nfs/dbraw/zinc/15/06/66/555150666.db2.gz	APBZACKPHJEPRG-FQEVSTJZSA-N	-1	1	545.486	4.368	50	0		KIAAMM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c2)cc1	ZINC000102929623	555155591	/nfs/dbraw/zinc/15/55/91/555155591.db2.gz	WTKTXOGTWUUVBT-UHFFFAOYSA-N	-1	1	601.747	4.493	50	0		KIAAMM
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)C2=O)cc1	ZINC000102931576	555159151	/nfs/dbraw/zinc/15/91/51/555159151.db2.gz	DNDXLJSXKLJAKO-OEAKJJBVSA-N	-1	1	573.599	4.241	50	0		KIAAMM
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2[O-])c1	ZINC000102938313	555166500	/nfs/dbraw/zinc/16/65/00/555166500.db2.gz	VAAJGUCMCJZYFO-UHFFFAOYSA-N	-1	1	564.085	4.298	50	0		KIAAMM
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1	ZINC000102955777	555173750	/nfs/dbraw/zinc/17/37/50/555173750.db2.gz	DRZAFIITIIUXJD-UHFFFAOYSA-N	-1	1	597.687	4.384	50	0		KIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000102955899	555173961	/nfs/dbraw/zinc/17/39/61/555173961.db2.gz	FZWJBYMXLYXHQW-UHFFFAOYSA-N	-1	1	534.059	4.486	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)c(F)c3F)ccc2N2CCOCC2)cc1	ZINC000102957283	555174149	/nfs/dbraw/zinc/17/41/49/555174149.db2.gz	WDLGGAYSTIIZBF-UHFFFAOYSA-N	-1	1	539.507	4.141	50	0		KIAAMM
O=C(CNC(=O)c1ccc(Br)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1	ZINC000102967321	555180353	/nfs/dbraw/zinc/18/03/53/555180353.db2.gz	AZMLWJZRIAQTDQ-UHFFFAOYSA-N	-1	1	567.259	4.381	50	0		KIAAMM
O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1	ZINC000102971904	555181855	/nfs/dbraw/zinc/18/18/55/555181855.db2.gz	HMRORLNDEVYMKE-UHFFFAOYSA-N	-1	1	577.956	4.482	50	0		KIAAMM
CCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000102972536	555182401	/nfs/dbraw/zinc/18/24/01/555182401.db2.gz	SUFDWZOHKZMPFG-UHFFFAOYSA-N	-1	1	525.599	4.421	50	0		KIAAMM
COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1	ZINC000102972779	555182827	/nfs/dbraw/zinc/18/28/27/555182827.db2.gz	AUTAJHVZNRXUKZ-UHFFFAOYSA-N	-1	1	571.599	4.152	50	0		KIAAMM
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OCC)cc3)c2)c1C	ZINC000102975302	555184987	/nfs/dbraw/zinc/18/49/87/555184987.db2.gz	RGKVWQUREJJVEX-SFHVURJKSA-N	-1	1	542.610	4.436	50	0		KIAAMM
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OCC)cc3)c2)c1C	ZINC000102975304	555184943	/nfs/dbraw/zinc/18/49/43/555184943.db2.gz	RGKVWQUREJJVEX-GOSISDBHSA-N	-1	1	542.610	4.436	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)ccc2N2CCOCC2)cc1	ZINC000102985554	555190708	/nfs/dbraw/zinc/19/07/08/555190708.db2.gz	ZKODCHZLWNFCBU-MHZLTWQESA-N	-1	1	594.734	4.424	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)ccc2N2CCOCC2)cc1	ZINC000102985556	555190713	/nfs/dbraw/zinc/19/07/13/555190713.db2.gz	ZKODCHZLWNFCBU-HHHXNRCGSA-N	-1	1	594.734	4.424	50	0		KIAAMM
CCCn1nc(C)c(-c2cc(C(=O)N3CCc4c(=O)n5[n-]c(-c6ccccc6Cl)cc5nc4C3)n[nH]2)c1C	ZINC000102990361	555192015	/nfs/dbraw/zinc/19/20/15/555192015.db2.gz	RDCFKPKFFXBTRI-UHFFFAOYSA-N	-1	1	531.020	4.155	50	0		KIAAMM
O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000102992706	555193152	/nfs/dbraw/zinc/19/31/52/555193152.db2.gz	HBWSSNPEMAYAPQ-UHFFFAOYSA-N	-1	1	547.561	4.089	50	0		KIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000102994434	555194706	/nfs/dbraw/zinc/19/47/06/555194706.db2.gz	YNIUJILDVJPDNV-UHFFFAOYSA-N	-1	1	550.058	4.186	50	0		KIAAMM
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1	ZINC000102994881	555195020	/nfs/dbraw/zinc/19/50/20/555195020.db2.gz	NRRSRQGCMBVCAZ-UHFFFAOYSA-N	-1	1	552.074	4.432	50	0		KIAAMM
Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1S(=O)(=O)N(C)C	ZINC000102996395	555195954	/nfs/dbraw/zinc/19/59/54/555195954.db2.gz	RTMMYLSKAPVEDQ-UHFFFAOYSA-N	-1	1	552.472	4.061	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)c3cc(C)cc(C)c3)ccc2N2CCCC2)cc1	ZINC000102996478	555196260	/nfs/dbraw/zinc/19/62/60/555196260.db2.gz	CYLRANYHXMSQHK-UHFFFAOYSA-N	-1	1	536.654	4.082	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(Br)cc3)ccc2N2CCCC2)cc1	ZINC000102996481	555196265	/nfs/dbraw/zinc/19/62/65/555196265.db2.gz	MBCCHWLREILHII-UHFFFAOYSA-N	-1	1	587.496	4.227	50	0		KIAAMM
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1	ZINC000102997107	555196733	/nfs/dbraw/zinc/19/67/33/555196733.db2.gz	LWOSNMZEMXQFLN-UHFFFAOYSA-N	-1	1	541.573	4.445	50	0		KIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000102998232	555197442	/nfs/dbraw/zinc/19/74/42/555197442.db2.gz	VCZXKBHEVGIHKL-UHFFFAOYSA-N	-1	1	578.112	4.041	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)[C@H](C)NS(=O)(=O)/C=C\c3ccccc3)c2)cc1	ZINC000102998823	1064285440	/nfs/dbraw/zinc/28/54/40/1064285440.db2.gz	LCCAPNJMXYWYIS-XUZQSEFNSA-N	-1	1	550.058	4.067	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)NS(=O)(=O)/C=C\c3ccccc3)c2)cc1	ZINC000102998825	1064286174	/nfs/dbraw/zinc/28/61/74/1064286174.db2.gz	LCCAPNJMXYWYIS-NHRMXYMRSA-N	-1	1	550.058	4.067	50	0		KIAAMM
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000102999443	555199066	/nfs/dbraw/zinc/19/90/66/555199066.db2.gz	HWWGRGPEKQQBBA-UHFFFAOYSA-N	-1	1	604.028	4.433	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc4c(c3)S(=O)(=O)c3ccccc3C4=O)c2)cc1	ZINC000103000947	555200938	/nfs/dbraw/zinc/20/09/38/555200938.db2.gz	TUGQNEUCLRFUSO-UHFFFAOYSA-N	-1	1	548.598	4.126	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccccc3Cl)ccc2N2CCOCC2)cc1	ZINC000103011922	555206729	/nfs/dbraw/zinc/20/67/29/555206729.db2.gz	BZEIWOIZTLOACX-UHFFFAOYSA-N	-1	1	532.018	4.004	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(I)c3)ccc2N2CCOCC2)cc1	ZINC000103011953	555206720	/nfs/dbraw/zinc/20/67/20/555206720.db2.gz	MGDYCSUUNBDBQY-UHFFFAOYSA-N	-1	1	593.443	4.190	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3coc4cc(OC)ccc34)ccc2N2CCOCC2)cc1	ZINC000103012008	555206673	/nfs/dbraw/zinc/20/66/73/555206673.db2.gz	PUMHKPNAYOEKJB-UHFFFAOYSA-N	-1	1	551.621	4.269	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CSc3nnc(-c4ccccc4)o3)ccc2N2CCOCC2)cc1	ZINC000103012021	555206716	/nfs/dbraw/zinc/20/67/16/555206716.db2.gz	GXSYGEAUVYNUFL-UHFFFAOYSA-N	-1	1	581.676	4.113	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)ccc2N2CCOCC2)cc1	ZINC000103012028	555207039	/nfs/dbraw/zinc/20/70/39/555207039.db2.gz	HKXHDFMEKCWYAS-UHFFFAOYSA-N	-1	1	603.701	4.021	50	0		KIAAMM
CCc1c(C)sc2nc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc(Cl)c5)CC4)cc3)[n-]c(=O)c12	ZINC000103020424	555211756	/nfs/dbraw/zinc/21/17/56/555211756.db2.gz	LULGPBSRRQGWHW-UHFFFAOYSA-N	-1	1	557.097	4.323	50	0		KIAAMM
CCOC(=O)C1=C(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)[N-]c2ccccc2N=C1CC	ZINC000103022878	555213874	/nfs/dbraw/zinc/21/38/74/555213874.db2.gz	DKXRQRWHIVYLBO-UHFFFAOYSA-N	-1	1	529.574	4.177	50	0		KIAAMM
CCOC(=O)C1=C(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@@H]3C)c2)[N-]c2ccccc2N=C1CC	ZINC000103022889	555213778	/nfs/dbraw/zinc/21/37/78/555213778.db2.gz	DTXBTVDFVMOZJY-SFHVURJKSA-N	-1	1	554.669	4.371	50	0		KIAAMM
CCOC(=O)C1=C(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@H]3C)c2)[N-]c2ccccc2N=C1CC	ZINC000103022893	555213788	/nfs/dbraw/zinc/21/37/88/555213788.db2.gz	DTXBTVDFVMOZJY-GOSISDBHSA-N	-1	1	554.669	4.371	50	0		KIAAMM
CCc1c(C)sc2nc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccccc5Cl)CC4)cc3)[n-]c(=O)c12	ZINC000103027494	555217290	/nfs/dbraw/zinc/21/72/90/555217290.db2.gz	KNLCXINPFHQVKY-UHFFFAOYSA-N	-1	1	557.097	4.323	50	0		KIAAMM
O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc2c(c1)OCCO2	ZINC000103048966	555230946	/nfs/dbraw/zinc/23/09/46/555230946.db2.gz	HELDDJWKMUCNQR-UHFFFAOYSA-N	-1	1	530.002	4.001	50	0		KIAAMM
COc1ccc(CC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1OC	ZINC000103048975	555230818	/nfs/dbraw/zinc/23/08/18/555230818.db2.gz	QFKDUEHYCGYDCJ-UHFFFAOYSA-N	-1	1	546.045	4.176	50	0		KIAAMM
COc1cc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc(OC)c1OC	ZINC000103048977	555230911	/nfs/dbraw/zinc/23/09/11/555230911.db2.gz	TZLQMCMKBLSVSY-UHFFFAOYSA-N	-1	1	562.044	4.256	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc2N2CCCC2)cc1	ZINC000103049517	555231570	/nfs/dbraw/zinc/23/15/70/555231570.db2.gz	OGBGBQDHCZBHKV-UHFFFAOYSA-N	-1	1	543.667	4.060	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)ccc2N2CCCC2)cc1	ZINC000103049521	555231519	/nfs/dbraw/zinc/23/15/19/555231519.db2.gz	OBANNHLVWGAYOD-HSZRJFAPSA-N	-1	1	562.692	4.126	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)ccc2N2CCCC2)cc1	ZINC000103049523	555231561	/nfs/dbraw/zinc/23/15/61/555231561.db2.gz	OBANNHLVWGAYOD-QHCPKHFHSA-N	-1	1	562.692	4.126	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc2N2CCCCC2)cc1	ZINC000103050195	555232489	/nfs/dbraw/zinc/23/24/89/555232489.db2.gz	OAESIMSFKGTALC-UHFFFAOYSA-N	-1	1	543.667	4.142	50	0		KIAAMM
C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)C(=O)c1ccc(Br)cc1	ZINC000103056829	555237878	/nfs/dbraw/zinc/23/78/78/555237878.db2.gz	TWQFYSONVOKVPV-HNNXBMFYSA-N	-1	1	546.395	4.449	50	0		KIAAMM
C[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)C(=O)c1ccc(Br)cc1	ZINC000103056831	555237945	/nfs/dbraw/zinc/23/79/45/555237945.db2.gz	TWQFYSONVOKVPV-OAHLLOKOSA-N	-1	1	546.395	4.449	50	0		KIAAMM
COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)cc(Br)c1[O-]	ZINC000103061128	555242366	/nfs/dbraw/zinc/24/23/66/555242366.db2.gz	XZOIIVNCPLRLQY-QGZVFWFLSA-N	-1	1	530.371	4.461	50	0		KIAAMM
COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)cc(Br)c1[O-]	ZINC000103061133	555242417	/nfs/dbraw/zinc/24/24/17/555242417.db2.gz	XZOIIVNCPLRLQY-KRWDZBQOSA-N	-1	1	530.371	4.461	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)Nc4cc(OC)cc(OC)c4)nc3c2)cc1	ZINC000103088340	555267334	/nfs/dbraw/zinc/26/73/34/555267334.db2.gz	LBVVWECJERHVNF-UHFFFAOYSA-N	-1	1	529.596	4.385	50	0		KIAAMM
CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)CCCC2	ZINC000103090929	555269932	/nfs/dbraw/zinc/26/99/32/555269932.db2.gz	SWAKCHRIPRXOPK-UHFFFAOYSA-N	-1	1	600.671	4.171	50	0		KIAAMM
Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)ccc1Br	ZINC000103092857	555271843	/nfs/dbraw/zinc/27/18/43/555271843.db2.gz	HSKVGRIWUQRODL-UHFFFAOYSA-N	-1	1	521.364	4.493	50	0		KIAAMM
CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000103102260	555279691	/nfs/dbraw/zinc/27/96/91/555279691.db2.gz	KVTQJUFHCVDELC-UHFFFAOYSA-N	-1	1	531.428	4.455	50	0		KIAAMM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000103102265	555279727	/nfs/dbraw/zinc/27/97/27/555279727.db2.gz	DGWWZDPUJFQDEL-SFHVURJKSA-N	-1	1	588.480	4.271	50	0		KIAAMM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000103102269	555279708	/nfs/dbraw/zinc/27/97/08/555279708.db2.gz	DGWWZDPUJFQDEL-GOSISDBHSA-N	-1	1	588.480	4.271	50	0		KIAAMM
O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103113000	555286148	/nfs/dbraw/zinc/28/61/48/555286148.db2.gz	MUWISSFLXOIJCO-UHFFFAOYSA-N	-1	1	592.095	4.111	50	0		KIAAMM
CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C(=O)OCC)c1C	ZINC000103113012	555286107	/nfs/dbraw/zinc/28/61/07/555286107.db2.gz	MPPBUWWARKYBFB-UHFFFAOYSA-N	-1	1	574.633	4.006	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cc(-c4ccc(Cl)cc4)nn3C)c2)cc1	ZINC000103114617	555287293	/nfs/dbraw/zinc/28/72/93/555287293.db2.gz	XISMGYZVUXQJAK-UHFFFAOYSA-N	-1	1	555.012	4.345	50	0		KIAAMM
C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000103114738	555287328	/nfs/dbraw/zinc/28/73/28/555287328.db2.gz	JGHVMRIFXGSNPK-SFHVURJKSA-N	-1	1	592.095	4.109	50	0		KIAAMM
C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000103114741	555287354	/nfs/dbraw/zinc/28/73/54/555287354.db2.gz	JGHVMRIFXGSNPK-GOSISDBHSA-N	-1	1	592.095	4.109	50	0		KIAAMM
COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1=O	ZINC000103389527	555375713	/nfs/dbraw/zinc/37/57/13/555375713.db2.gz	ZNSJGWXGWRFLNQ-UHFFFAOYSA-N	-1	1	553.662	4.317	50	0		KIAAMM
COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1=O	ZINC000103418934	555399024	/nfs/dbraw/zinc/39/90/24/555399024.db2.gz	UXYQOBTUARSEON-UHFFFAOYSA-N	-1	1	583.688	4.326	50	0		KIAAMM
COCCCN1C(=O)C(Nc2ccc(F)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1=O	ZINC000103425994	555406981	/nfs/dbraw/zinc/40/69/81/555406981.db2.gz	CQFBUIYJTYBTCS-UHFFFAOYSA-N	-1	1	541.626	4.448	50	0		KIAAMM
C[C@H](NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000104554330	571381481	/nfs/dbraw/zinc/38/14/81/571381481.db2.gz	WFGGAWDUWDCYRA-PGGMPKIUSA-N	-1	1	554.665	4.137	50	0		KIAAMM
C[C@@H](NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000104554338	571381508	/nfs/dbraw/zinc/38/15/08/571381508.db2.gz	WFGGAWDUWDCYRA-PLVCPGIGSA-N	-1	1	554.665	4.137	50	0		KIAAMM
COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1=O	ZINC000105484779	571405115	/nfs/dbraw/zinc/40/51/15/571405115.db2.gz	RRQFYCGCHWAQJQ-UHFFFAOYSA-N	-1	1	601.678	4.465	50	0		KIAAMM
O=C([O-])c1cc(Br)ccc1-c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)o1	ZINC000105612199	571407889	/nfs/dbraw/zinc/40/78/89/571407889.db2.gz	MKNYTWXLYJXONN-LICLKQGHSA-N	-1	1	579.144	4.473	50	0		KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000105795836	571408673	/nfs/dbraw/zinc/40/86/73/571408673.db2.gz	YJAORXRYIKPBMF-MQSCRBSSSA-N	-1	1	553.365	4.216	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000107800319	571421191	/nfs/dbraw/zinc/42/11/91/571421191.db2.gz	UJZCLYYQQQKZNO-QCHPHUCNSA-N	-1	1	541.467	4.390	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000107800324	571421173	/nfs/dbraw/zinc/42/11/73/571421173.db2.gz	UJZCLYYQQQKZNO-VZIOXZNFSA-N	-1	1	541.467	4.390	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	ZINC000108447506	571423789	/nfs/dbraw/zinc/42/37/89/571423789.db2.gz	LRFXIVRRTNFBKM-KRWDZBQOSA-N	-1	1	539.496	4.228	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	ZINC000108447508	571423796	/nfs/dbraw/zinc/42/37/96/571423796.db2.gz	LRFXIVRRTNFBKM-QGZVFWFLSA-N	-1	1	539.496	4.228	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3cc4c(cc3[nH]c2=O)OCO4)cc1	ZINC000108450839	571425432	/nfs/dbraw/zinc/42/54/32/571425432.db2.gz	JSHLYBYUGKXOSN-INIZCTEOSA-N	-1	1	525.469	4.185	50	0	biogenic	KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3cc4c(cc3[nH]c2=O)OCO4)cc1	ZINC000108450841	571425545	/nfs/dbraw/zinc/42/55/45/571425545.db2.gz	JSHLYBYUGKXOSN-MRXNPFEDSA-N	-1	1	525.469	4.185	50	0	biogenic	KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000137864793	571450616	/nfs/dbraw/zinc/45/06/16/571450616.db2.gz	DCADHTLNFGSTNF-QZNHQXDQSA-N	-1	1	508.914	4.107	50	0		KIAAMM
COc1ccc(-n2c(C)c(C(C)=O)c3cc(OCc4n[n-]c(=S)n4N)c(Br)cc32)cc1	ZINC000140190877	571455470	/nfs/dbraw/zinc/45/54/70/571455470.db2.gz	GZLREFOFAZYWMG-UHFFFAOYSA-N	-1	1	502.394	4.460	50	0		KIAAMM
CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(OCc3n[n-]c(=S)n3N)cc21	ZINC000143250953	571456145	/nfs/dbraw/zinc/45/61/45/571456145.db2.gz	WWHSLHLVQGJOKT-UHFFFAOYSA-N	-1	1	516.421	4.484	50	0		KIAAMM
COc1ccc(CCNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1OC	ZINC000150399936	571477810	/nfs/dbraw/zinc/47/78/10/571477810.db2.gz	RMFJJFANBIMEJW-NOZRDPDXSA-N	-1	1	646.741	4.402	50	0		KIAAMM
COc1ccc(CCNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1OC	ZINC000150399958	571477827	/nfs/dbraw/zinc/47/78/27/571477827.db2.gz	XOEHNPVBXPAOIX-RSXGOPAZSA-N	-1	1	686.787	4.034	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)ccc2N2CCCC2)cc1	ZINC000150408206	571480593	/nfs/dbraw/zinc/48/05/93/571480593.db2.gz	BWGZDUIRLOZLBZ-UHFFFAOYSA-N	-1	1	683.853	4.360	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)ccc2N2CCCC2)cc1	ZINC000150408212	571480588	/nfs/dbraw/zinc/48/05/88/571480588.db2.gz	PFHYBEGVOXLMLX-UHFFFAOYSA-N	-1	1	683.853	4.360	50	0		KIAAMM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1	ZINC000150446824	571501078	/nfs/dbraw/zinc/50/10/78/571501078.db2.gz	HZQORNWQTCGPQL-UHFFFAOYSA-N	-1	1	636.752	4.410	50	0		KIAAMM
COc1cc(NC(=O)COC(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)cc(NS(=O)(=O)c3ccc(F)cc3)c2)cc(OC)c1	ZINC000150481566	571512805	/nfs/dbraw/zinc/51/28/05/571512805.db2.gz	KFIHQLLDPIHCHG-UHFFFAOYSA-N	-1	1	661.661	4.379	50	0		KIAAMM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3ccc(C)cc3S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000150482906	571513598	/nfs/dbraw/zinc/51/35/98/571513598.db2.gz	PCBWXNQCLWMEIV-UHFFFAOYSA-N	-1	1	643.784	4.263	50	0		KIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3cccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)c2)cc1	ZINC000150635781	571524260	/nfs/dbraw/zinc/52/42/60/571524260.db2.gz	LLMMBUWENDHDIT-UHFFFAOYSA-N	-1	1	647.735	4.347	50	0		KIAAMM
COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cc(OC)c(OC)cc1OC	ZINC000217764875	571602633	/nfs/dbraw/zinc/60/26/33/571602633.db2.gz	ZFGLOONAFMXTLC-LJQANCHMSA-N	-1	1	510.587	4.118	50	0		KIAAMM
COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cc(OC)c(OC)cc1OC	ZINC000217764963	571602486	/nfs/dbraw/zinc/60/24/86/571602486.db2.gz	ZFGLOONAFMXTLC-IBGZPJMESA-N	-1	1	510.587	4.118	50	0		KIAAMM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000227022586	572147434	/nfs/dbraw/zinc/14/74/34/572147434.db2.gz	YJAORXRYIKPBMF-QZNHQXDQSA-N	-1	1	553.365	4.216	50	0		KIAAMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2	ZINC000245267880	572224162	/nfs/dbraw/zinc/22/41/62/572224162.db2.gz	MWYIFEJGLQOQGF-UHFFFAOYSA-N	-1	1	515.935	4.216	50	0		KIAAMM
O=[N+]([O-])c1cccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)[nH]2)c1	ZINC000252600200	572267297	/nfs/dbraw/zinc/26/72/97/572267297.db2.gz	DOLQVTOVDFGWOE-UHFFFAOYSA-N	-1	1	594.224	4.037	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000252675693	572279406	/nfs/dbraw/zinc/27/94/06/572279406.db2.gz	UTIBSVVUBIXGRI-NRFANRHFSA-N	-1	1	669.335	4.270	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000252675694	572279439	/nfs/dbraw/zinc/27/94/39/572279439.db2.gz	UTIBSVVUBIXGRI-OAQYLSRUSA-N	-1	1	669.335	4.270	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000252676182	572279888	/nfs/dbraw/zinc/27/98/88/572279888.db2.gz	WGYCTEWTKIKDET-IBGZPJMESA-N	-1	1	706.727	4.367	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000252676183	572279835	/nfs/dbraw/zinc/27/98/35/572279835.db2.gz	WGYCTEWTKIKDET-LJQANCHMSA-N	-1	1	706.727	4.367	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000252676499	572280148	/nfs/dbraw/zinc/28/01/48/572280148.db2.gz	XGRCSSULDWMLHI-HSZRJFAPSA-N	-1	1	557.466	4.054	50	0		KIAAMM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000252676500	572280184	/nfs/dbraw/zinc/28/01/84/572280184.db2.gz	XGRCSSULDWMLHI-QHCPKHFHSA-N	-1	1	557.466	4.054	50	0		KIAAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1OCC(N)=O	ZINC000253412051	572287651	/nfs/dbraw/zinc/28/76/51/572287651.db2.gz	PSPAZPLJQVTSEV-INIZCTEOSA-N	-1	1	521.909	4.133	50	0		KIAAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1OCC(N)=O	ZINC000253412052	572287697	/nfs/dbraw/zinc/28/76/97/572287697.db2.gz	PSPAZPLJQVTSEV-MRXNPFEDSA-N	-1	1	521.909	4.133	50	0		KIAAMM
Cn1c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)cc2n(C)c1=O	ZINC000253413059	572288411	/nfs/dbraw/zinc/28/84/11/572288411.db2.gz	SXEMTRHAJHURFJ-INIZCTEOSA-N	-1	1	502.910	4.450	50	0		KIAAMM
Cn1c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)cc2n(C)c1=O	ZINC000253413060	572288376	/nfs/dbraw/zinc/28/83/76/572288376.db2.gz	SXEMTRHAJHURFJ-MRXNPFEDSA-N	-1	1	502.910	4.450	50	0		KIAAMM
CC[C@@H](C)NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000253530830	572298519	/nfs/dbraw/zinc/29/85/19/572298519.db2.gz	GOURRVLEUVTQFV-SBHAEUEKSA-N	-1	1	555.100	4.455	50	0		KIAAMM
CC[C@H](C)NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000253530831	572298556	/nfs/dbraw/zinc/29/85/56/572298556.db2.gz	GOURRVLEUVTQFV-ZVDOUQERSA-N	-1	1	555.100	4.455	50	0		KIAAMM
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3[n-]cc(C(=O)N(Cc4ccco4)C[C@H]4CCCO4)c(=O)c3c2)C1	ZINC000253531025	572298542	/nfs/dbraw/zinc/29/85/42/572298542.db2.gz	MRCPBQBLPIOUTL-SFHLNBCPSA-N	-1	1	527.643	4.021	50	0		KIAAMM
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3[n-]cc(C(=O)N(Cc4ccco4)C[C@H]4CCCO4)c(=O)c3c2)C1	ZINC000253531026	572298512	/nfs/dbraw/zinc/29/85/12/572298512.db2.gz	MRCPBQBLPIOUTL-SVFBPWRDSA-N	-1	1	527.643	4.021	50	0		KIAAMM
CCOC(=O)c1c(C)n(Cc2n[nH]c(=S)n2CC)c2ccc(OCc3n[n-]c(=S)n3CC)cc21	ZINC000253599108	572300697	/nfs/dbraw/zinc/30/06/97/572300697.db2.gz	KZCIQIMTVPRKJS-UHFFFAOYSA-N	-1	1	501.638	4.302	50	0		KIAAMM
COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1	ZINC000263585229	572117661	/nfs/dbraw/zinc/11/76/61/572117661.db2.gz	GNLXRGFIAFJKBF-KRWDZBQOSA-N	-1	1	502.475	4.410	50	0		KIAAMM
COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1	ZINC000263585229	572117657	/nfs/dbraw/zinc/11/76/57/572117657.db2.gz	GNLXRGFIAFJKBF-KRWDZBQOSA-N	-1	1	502.475	4.410	50	0		KIAAMM
COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1	ZINC000263585230	572117479	/nfs/dbraw/zinc/11/74/79/572117479.db2.gz	GNLXRGFIAFJKBF-QGZVFWFLSA-N	-1	1	502.475	4.410	50	0		KIAAMM
COC(=O)c1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1	ZINC000263585230	572117477	/nfs/dbraw/zinc/11/74/77/572117477.db2.gz	GNLXRGFIAFJKBF-QGZVFWFLSA-N	-1	1	502.475	4.410	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc(OC)c3c(c2)OCCO3)cc1OC	ZINC000263585654	572119597	/nfs/dbraw/zinc/11/95/97/572119597.db2.gz	LBXQXCQLLNZOQO-INIZCTEOSA-N	-1	1	532.501	4.404	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc(OC)c3c(c2)OCCO3)cc1OC	ZINC000263585655	572119872	/nfs/dbraw/zinc/11/98/72/572119872.db2.gz	LBXQXCQLLNZOQO-MRXNPFEDSA-N	-1	1	532.501	4.404	50	0		KIAAMM
COC(=O)COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)ccc1OC	ZINC000263585657	572119789	/nfs/dbraw/zinc/11/97/89/572119789.db2.gz	LCSZHCGFIHACRA-KRWDZBQOSA-N	-1	1	562.527	4.184	50	0		KIAAMM
COC(=O)COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)ccc1OC	ZINC000263585658	572119713	/nfs/dbraw/zinc/11/97/13/572119713.db2.gz	LCSZHCGFIHACRA-QGZVFWFLSA-N	-1	1	562.527	4.184	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc(OC)c(O)c(OC)c2)cc1OC	ZINC000263586287	572122651	/nfs/dbraw/zinc/12/26/51/572122651.db2.gz	SFBLIMAJKNNLAE-HNNXBMFYSA-N	-1	1	520.490	4.347	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc(OC)c(O)c(OC)c2)cc1OC	ZINC000263586288	572122434	/nfs/dbraw/zinc/12/24/34/572122434.db2.gz	SFBLIMAJKNNLAE-OAHLLOKOSA-N	-1	1	520.490	4.347	50	0		KIAAMM
COC(=O)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(OC)c(OC)c4)coc-3c21	ZINC000263586340	572123011	/nfs/dbraw/zinc/12/30/11/572123011.db2.gz	STVQAJALUWLBIT-KRWDZBQOSA-N	-1	1	562.527	4.184	50	0		KIAAMM
COC(=O)COc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(OC)c(OC)c4)coc-3c21	ZINC000263586341	572122932	/nfs/dbraw/zinc/12/29/32/572122932.db2.gz	STVQAJALUWLBIT-QGZVFWFLSA-N	-1	1	562.527	4.184	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3ccccc3n(C)c2=O)cc1OC	ZINC000263586689	572124710	/nfs/dbraw/zinc/12/47/10/572124710.db2.gz	WXUUIYAWHKMVEU-KRWDZBQOSA-N	-1	1	525.513	4.476	50	0		KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5ccccc5n(C)c3=O)CC(=O)O4)c2=O)cc1OC	ZINC000263586689	572124708	/nfs/dbraw/zinc/12/47/08/572124708.db2.gz	WXUUIYAWHKMVEU-KRWDZBQOSA-N	-1	1	525.513	4.476	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3ccccc3n(C)c2=O)cc1OC	ZINC000263586690	572124587	/nfs/dbraw/zinc/12/45/87/572124587.db2.gz	WXUUIYAWHKMVEU-QGZVFWFLSA-N	-1	1	525.513	4.476	50	0		KIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5ccccc5n(C)c3=O)CC(=O)O4)c2=O)cc1OC	ZINC000263586690	572124585	/nfs/dbraw/zinc/12/45/85/572124585.db2.gz	WXUUIYAWHKMVEU-QGZVFWFLSA-N	-1	1	525.513	4.476	50	0		KIAAMM
COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1C	ZINC000328599201	572146196	/nfs/dbraw/zinc/14/61/96/572146196.db2.gz	QNGNKXCIXXZVDJ-HSZRJFAPSA-N	-1	1	503.418	4.410	50	0		KIAAMM
COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1C	ZINC000328599206	572145946	/nfs/dbraw/zinc/14/59/46/572145946.db2.gz	QNGNKXCIXXZVDJ-QHCPKHFHSA-N	-1	1	503.418	4.410	50	0		KIAAMM
COC(=O)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1	ZINC000524729059	1064279813	/nfs/dbraw/zinc/27/98/13/1064279813.db2.gz	BAQQSNSKOMSJFB-GOSISDBHSA-N	-1	1	532.501	4.176	50	0		KIAAMM
COC(=O)COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1	ZINC000524729059	1064279800	/nfs/dbraw/zinc/27/98/00/1064279800.db2.gz	BAQQSNSKOMSJFB-GOSISDBHSA-N	-1	1	532.501	4.176	50	0		KIAAMM
COC(=O)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1	ZINC000524729060	1064279138	/nfs/dbraw/zinc/27/91/38/1064279138.db2.gz	BAQQSNSKOMSJFB-SFHVURJKSA-N	-1	1	532.501	4.176	50	0		KIAAMM
COC(=O)COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1	ZINC000524729060	1064279126	/nfs/dbraw/zinc/27/91/26/1064279126.db2.gz	BAQQSNSKOMSJFB-SFHVURJKSA-N	-1	1	532.501	4.176	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3cccc4c3n(c2=O)CC4)cc1OC	ZINC000524729504	1064279744	/nfs/dbraw/zinc/27/97/44/1064279744.db2.gz	WCFIMDVSHKCRKT-GOSISDBHSA-N	-1	1	537.524	4.495	50	0		KIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3cccc4c3n(c2=O)CC4)cc1OC	ZINC000524729505	1064278744	/nfs/dbraw/zinc/27/87/44/1064278744.db2.gz	WCFIMDVSHKCRKT-SFHVURJKSA-N	-1	1	537.524	4.495	50	0		KIAAMM
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)cc2c1	ZINC000524730597	1064280652	/nfs/dbraw/zinc/28/06/52/1064280652.db2.gz	ONDYKJPRTMMTKV-KRWDZBQOSA-N	-1	1	541.512	4.474	50	0		KIAAMM
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)cc2c1	ZINC000524730598	1064281246	/nfs/dbraw/zinc/28/12/46/1064281246.db2.gz	ONDYKJPRTMMTKV-QGZVFWFLSA-N	-1	1	541.512	4.474	50	0		KIAAMM
COC(=O)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5OC)coc-4c32)cc1	ZINC000524730822	1064281561	/nfs/dbraw/zinc/28/15/61/1064281561.db2.gz	YPRNRVIAZKSFML-GOSISDBHSA-N	-1	1	502.475	4.167	50	0		KIAAMM
COC(=O)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5OC)coc-4c32)cc1	ZINC000524730823	1064281066	/nfs/dbraw/zinc/28/10/66/1064281066.db2.gz	YPRNRVIAZKSFML-SFHVURJKSA-N	-1	1	502.475	4.167	50	0		KIAAMM
COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)c(=O)n(C)c2c1	ZINC000524731980	1064282586	/nfs/dbraw/zinc/28/25/86/1064282586.db2.gz	RQYSCXQCHCEXEY-GOSISDBHSA-N	-1	1	555.539	4.484	50	0		KIAAMM
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)c(=O)n(C)c2c1	ZINC000524731981	1064283675	/nfs/dbraw/zinc/28/36/75/1064283675.db2.gz	RQYSCXQCHCEXEY-SFHVURJKSA-N	-1	1	555.539	4.484	50	0		KIAAMM