smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c[n-]c2c1-c1cc(C(=O)OCc3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)c1C(=O)C2=O	ZINC000001647563	551687859	/nfs/dbraw/zinc/68/78/59/551687859.db2.gz	JWANQWULRQLQBX-UHFFFAOYSA-N	-1	3	532.530	3.551	40	10		KHCBHM
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(C)cc1)C(=O)C(=O)c1[n-]cc(C(=O)OCc3ccccc3)c1-2	ZINC000001647564	551687791	/nfs/dbraw/zinc/68/77/91/551687791.db2.gz	AVADCSIAVBNFKV-UHFFFAOYSA-N	-1	3	532.530	3.551	40	10		KHCBHM
CCOC(=O)c1cc(Cl)cc2c([O-])c3c(nc12)C(=O)c1c(O)c2cc(Cl)cc(C(=O)OCC)c2nc1C3=O	ZINC000005386043	552500383	/nfs/dbraw/zinc/50/03/83/552500383.db2.gz	KHDVIDVGVMKSKB-UHFFFAOYSA-N	-1	3	555.326	3.805	40	10		KHCBHM
COc1cccc([C@H]2[NH2+][C@@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]32)c1[O-]	ZINC000008856534	553167543	/nfs/dbraw/zinc/16/75/43/553167543.db2.gz	MNQQJSUXXYLZJS-FJRSXGRASA-N	-1	3	525.561	3.707	40	10		KHCBHM
CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](Cc2c[nH]c4ccccc24)(C(=O)[O-])[NH2+][C@@H]3c2ccccc2[O-])cc1	ZINC000009510413	553276010	/nfs/dbraw/zinc/27/60/10/553276010.db2.gz	QLGRXBMXJQLIQF-YYZJCXNBSA-N	-1	3	509.562	3.952	40	10		KHCBHM
COc1cccc([C@@H]2[NH2+][C@@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)c1[O-]	ZINC000009971930	553322936	/nfs/dbraw/zinc/32/29/36/553322936.db2.gz	MNQQJSUXXYLZJS-UBRKHCEVSA-N	-1	3	525.561	3.707	40	10		KHCBHM
CCc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4[O-])[NH2+][C@@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@@H]3C2=O)cc1	ZINC000013557025	553471334	/nfs/dbraw/zinc/47/13/34/553471334.db2.gz	QLGRXBMXJQLIQF-NHICWYPXSA-N	-1	3	509.562	3.952	40	10		KHCBHM
COc1cccc([C@@H]2[NH2+][C@@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)c1[O-]	ZINC000015276078	553530315	/nfs/dbraw/zinc/53/03/15/553530315.db2.gz	MNQQJSUXXYLZJS-DNHJLFCISA-N	-1	3	525.561	3.707	40	10		KHCBHM
COc1cccc([C@H]2[NH2+][C@@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)c1[O-]	ZINC000015276080	553530347	/nfs/dbraw/zinc/53/03/47/553530347.db2.gz	MNQQJSUXXYLZJS-ZQIPMTRKSA-N	-1	3	525.561	3.707	40	10		KHCBHM
COc1cccc([C@@H]2[NH2+][C@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)c1[O-]	ZINC000015276081	553530277	/nfs/dbraw/zinc/53/02/77/553530277.db2.gz	MNQQJSUXXYLZJS-SODQHWRNSA-N	-1	3	525.561	3.707	40	10		KHCBHM
CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2[O-])[NH2+][C@@]3(Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000020547441	553671377	/nfs/dbraw/zinc/67/13/77/553671377.db2.gz	QLGRXBMXJQLIQF-DZNDNOMISA-N	-1	3	509.562	3.952	40	10		KHCBHM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	ZINC000059418544	554395008	/nfs/dbraw/zinc/39/50/08/554395008.db2.gz	SOHYKHLXUVUAAI-GTWFGUSFSA-N	-1	3	513.619	3.723	40	10		KHCBHM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	ZINC000059418545	554394970	/nfs/dbraw/zinc/39/49/70/554394970.db2.gz	SOHYKHLXUVUAAI-SJJVXOANSA-N	-1	3	513.619	3.723	40	10		KHCBHM
CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc([O-])c1C3=O)[C@@H](OC(=O)OCC)C[C@](O)(C(C)=O)C2	ZINC000077319757	553665132	/nfs/dbraw/zinc/66/51/32/553665132.db2.gz	CJCLTLJGYVYVPZ-ADKRDUOOSA-N	-1	3	600.529	3.719	40	10	in-vitro	KHCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	ZINC000094303296	553696404	/nfs/dbraw/zinc/69/64/04/553696404.db2.gz	RDYXRPGVNWOQLW-YRKJKFEBSA-N	-1	3	765.768	3.581	40	10	in-vitro	KHCBHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	ZINC000094303296	553696402	/nfs/dbraw/zinc/69/64/02/553696402.db2.gz	RDYXRPGVNWOQLW-YRKJKFEBSA-N	-1	3	765.768	3.581	40	10	in-vitro	KHCBHM
O=C([N-]N1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)SC1=S)c1ccccc1Cl	ZINC000101016949	554560648	/nfs/dbraw/zinc/56/06/48/554560648.db2.gz	TTWLDBLFPIHCCQ-BUHFOSPRSA-N	-1	3	569.498	3.915	40	10		KHCBHM
CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@](Cc2c[nH]c4ccccc24)(C(=O)[O-])[NH2+][C@@H]3c2ccccc2[O-])cc1	ZINC000102781312	555066366	/nfs/dbraw/zinc/06/63/66/555066366.db2.gz	QLGRXBMXJQLIQF-PYOQLBSMSA-N	-1	3	509.562	3.952	40	10		KHCBHM
CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2[O-])[NH2+][C@]3(Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000102781313	555066311	/nfs/dbraw/zinc/06/63/11/555066311.db2.gz	QLGRXBMXJQLIQF-MMGVRFDJSA-N	-1	3	509.562	3.952	40	10		KHCBHM
CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4[O-])[NH2+][C@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@H]3C2=O)cc1	ZINC000102781317	555066305	/nfs/dbraw/zinc/06/63/05/555066305.db2.gz	QLGRXBMXJQLIQF-JALVRWGXSA-N	-1	3	509.562	3.952	40	10		KHCBHM
CCc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4[O-])[NH2+][C@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@H]3C2=O)cc1	ZINC000102781320	555066289	/nfs/dbraw/zinc/06/62/89/555066289.db2.gz	QLGRXBMXJQLIQF-HNRABGRISA-N	-1	3	509.562	3.952	40	10		KHCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)c(Cl)c1	ZINC000111845730	571433613	/nfs/dbraw/zinc/43/36/13/571433613.db2.gz	HNMVRBDEZGFKON-UNOMPAQXSA-N	-1	3	519.004	3.939	40	10		KHCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(I)c1OCc1ccccc1	ZINC000207987567	571573431	/nfs/dbraw/zinc/57/34/31/571573431.db2.gz	GKFSCVBFPKWJSS-YVLHZVERSA-N	-1	3	508.337	3.985	40	10		KHCBHM
COc1ccc(N2CCN(S(=O)(=O)c3nnc([N-]C(=O)c4ccc(Cl)cc4Cl)s3)CC2)cc1	ZINC000223616485	571514700	/nfs/dbraw/zinc/51/47/00/571514700.db2.gz	NAQVMHVGQRDJCE-UHFFFAOYSA-N	-1	3	528.443	3.617	40	10		KHCBHM
COc1cccc([C@@H]2[NH2+][C@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)c1[O-]	ZINC000248108434	572253784	/nfs/dbraw/zinc/25/37/84/572253784.db2.gz	MNQQJSUXXYLZJS-XZSZPMDUSA-N	-1	3	525.561	3.707	40	10		KHCBHM
COc1cccc([C@@H]2[NH2+][C@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)c1[O-]	ZINC000248108450	572253818	/nfs/dbraw/zinc/25/38/18/572253818.db2.gz	MNQQJSUXXYLZJS-ZRIOWSNCSA-N	-1	3	525.561	3.707	40	10		KHCBHM
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@@H](O)[C@H](C)O3)c1C2=O	ZINC000256966640	572305730	/nfs/dbraw/zinc/30/57/30/572305730.db2.gz	RZOFHOWMWMTHDX-AYLNNVQISA-N	-1	3	746.854	3.656	40	10	in-vitro	KHCBHM
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@H](O)[C@@H](C)O3)c1C2=O	ZINC000256966642	572305713	/nfs/dbraw/zinc/30/57/13/572305713.db2.gz	RZOFHOWMWMTHDX-CPSWTUICSA-N	-1	3	746.854	3.656	40	10	in-vitro	KHCBHM
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@H](O)[C@H](C)O3)c1C2=O	ZINC000256966644	572305793	/nfs/dbraw/zinc/30/57/93/572305793.db2.gz	RZOFHOWMWMTHDX-NLBZLAPOSA-N	-1	3	746.854	3.656	40	10	in-vitro	KHCBHM
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@@H](O)[C@@H](C)O3)c1C2=O	ZINC000256966646	572305701	/nfs/dbraw/zinc/30/57/01/572305701.db2.gz	RZOFHOWMWMTHDX-WSBQRAEJSA-N	-1	3	746.854	3.656	40	10	in-vitro	KHCBHM
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1	ZINC000408526128	572156921	/nfs/dbraw/zinc/15/69/21/572156921.db2.gz	AAOJXFOSOVHCIX-LGMDPLHJSA-N	-1	3	524.423	3.810	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1	ZINC000408526642	572157574	/nfs/dbraw/zinc/15/75/74/572157574.db2.gz	BWRBEHXKANCEMN-VBKFSLOCSA-N	-1	3	511.380	3.895	40	10		KHCBHM
Cc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	ZINC000408526875	572158890	/nfs/dbraw/zinc/15/88/90/572158890.db2.gz	CQCDMTGBRZKESX-SSZFMOIBSA-N	-1	3	515.401	3.739	40	10		KHCBHM
COC(=O)COc1c(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cccc1OC	ZINC000408526906	572158879	/nfs/dbraw/zinc/15/88/79/572158879.db2.gz	CTGMYIXISQZOTE-LICLKQGHSA-N	-1	3	506.989	3.755	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	ZINC000408527673	572161387	/nfs/dbraw/zinc/16/13/87/572161387.db2.gz	GEXLWOULUKEDBA-CYVLTUHYSA-N	-1	3	566.504	3.727	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	ZINC000408529119	572167380	/nfs/dbraw/zinc/16/73/80/572167380.db2.gz	GZTIPUJHIWKNDC-JXAWBTAJSA-N	-1	3	553.461	3.811	40	10		KHCBHM
CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccccc1	ZINC000408529430	572168314	/nfs/dbraw/zinc/16/83/14/572168314.db2.gz	HXBBZZSHOPGOHE-WQRHYEAKSA-N	-1	3	565.389	3.814	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	ZINC000408530168	572170855	/nfs/dbraw/zinc/17/08/55/572170855.db2.gz	IVFWJZUGWYQOPE-JXAWBTAJSA-N	-1	3	539.434	3.503	40	10		KHCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	ZINC000408530520	572171877	/nfs/dbraw/zinc/17/18/77/572171877.db2.gz	MEZWILLXLSXOSC-ZDLGFXPLSA-N	-1	3	518.389	3.890	40	10		KHCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	ZINC000408530627	572172323	/nfs/dbraw/zinc/17/23/23/572172323.db2.gz	MULDDMZYOCAJBZ-ZDLGFXPLSA-N	-1	3	565.389	3.732	40	10		KHCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000408531306	572175599	/nfs/dbraw/zinc/17/55/99/572175599.db2.gz	PIFYQXRPZACZQQ-YVLHZVERSA-N	-1	3	504.362	3.582	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	ZINC000408531314	572175541	/nfs/dbraw/zinc/17/55/41/572175541.db2.gz	NSSVOMXSDMGZPX-JXAWBTAJSA-N	-1	3	539.434	3.503	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	ZINC000408531600	572176620	/nfs/dbraw/zinc/17/66/20/572176620.db2.gz	KXAQCQQKYGSWTE-JXAWBTAJSA-N	-1	3	509.408	3.958	40	10		KHCBHM
CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000408531827	572177582	/nfs/dbraw/zinc/17/75/82/572177582.db2.gz	RSDOTTPFTUBSTL-WQRHYEAKSA-N	-1	3	518.389	3.972	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1	ZINC000408532451	572179621	/nfs/dbraw/zinc/17/96/21/572179621.db2.gz	MTFUCEZJGUUIAG-LGMDPLHJSA-N	-1	3	510.396	3.501	40	10		KHCBHM
Cc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	ZINC000408532962	572181534	/nfs/dbraw/zinc/18/15/34/572181534.db2.gz	NLGXMDYMTAJVSR-VKAVYKQESA-N	-1	3	528.444	3.654	40	10		KHCBHM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1	ZINC000408533430	572183179	/nfs/dbraw/zinc/18/31/79/572183179.db2.gz	SFIJZLYEHLXCJA-VBKFSLOCSA-N	-1	3	511.380	3.895	40	10		KHCBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C	ZINC000408533729	572184497	/nfs/dbraw/zinc/18/44/97/572184497.db2.gz	OWLYZXVXVQPABS-GFMRDNFCSA-N	-1	3	521.625	3.922	40	10		KHCBHM
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	ZINC000408535416	572188755	/nfs/dbraw/zinc/18/87/55/572188755.db2.gz	SPLKYIGXZBGNIJ-JXAWBTAJSA-N	-1	3	556.408	3.800	40	10		KHCBHM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	ZINC000408537340	572194284	/nfs/dbraw/zinc/19/42/84/572194284.db2.gz	ZZPIQHCSTAVLOD-PYCFMQQDSA-N	-1	3	509.614	3.501	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)CC2)cc1	ZINC000408557270	572244699	/nfs/dbraw/zinc/24/46/99/572244699.db2.gz	GEGAOHVECRYMLD-UHFFFAOYSA-N	-1	3	560.470	3.986	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(Cl)c4)cc3)CC2)cc1	ZINC000408562355	572248800	/nfs/dbraw/zinc/24/88/00/572248800.db2.gz	ZFWXRSUPYKCYRF-UHFFFAOYSA-N	-1	3	546.045	3.886	40	10		KHCBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)c2)cc1	ZINC000408635637	572292751	/nfs/dbraw/zinc/29/27/51/572292751.db2.gz	GHNIJSZOJBMUFI-UHFFFAOYSA-N	-1	3	546.045	3.886	40	10		KHCBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2)cc1	ZINC000408675035	572317576	/nfs/dbraw/zinc/31/75/76/572317576.db2.gz	PKMRNAIJJTZGQP-UHFFFAOYSA-N	-1	3	525.627	3.541	40	10		KHCBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2)cc1	ZINC000408675405	572317966	/nfs/dbraw/zinc/31/79/66/572317966.db2.gz	YCHDJFSCQUMQKY-UHFFFAOYSA-N	-1	3	539.654	3.931	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3C)CC2)cc1	ZINC000408677683	572319242	/nfs/dbraw/zinc/31/92/42/572319242.db2.gz	QPPCIMSWGYXHHX-UHFFFAOYSA-N	-1	3	513.591	3.671	40	10		KHCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1	ZINC000409149794	1066747637	/nfs/dbraw/zinc/74/76/37/1066747637.db2.gz	RBBFDUWRLSDBKV-UNOMPAQXSA-N	-1	3	519.004	3.939	40	10		KHCBHM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	ZINC000409190365	1066762546	/nfs/dbraw/zinc/76/25/46/1066762546.db2.gz	XRLFEJKKTDTOCU-UHFFFAOYSA-N	-1	3	521.367	3.752	40	10		KHCBHM
CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)N1CCOCC1	ZINC000409206227	1066763500	/nfs/dbraw/zinc/76/35/00/1066763500.db2.gz	NHLVHLQPILKIDX-HMAPJEAMSA-N	-1	3	576.096	3.831	40	10		KHCBHM
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc([O-])c(I)c3)SC2=S)cc1	ZINC000409346703	1066797212	/nfs/dbraw/zinc/79/72/12/1066797212.db2.gz	OEOMEJXDXORIOX-DHDCSXOGSA-N	-1	3	512.350	3.552	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)CC2)cc1	ZINC000409369300	1066812239	/nfs/dbraw/zinc/81/22/39/1066812239.db2.gz	KEKGTDYSEGRYTF-UHFFFAOYSA-N	-1	3	509.628	3.840	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3C)CC2)cc1	ZINC000409384028	1066816878	/nfs/dbraw/zinc/81/68/78/1066816878.db2.gz	WRXNWIHIYYKFSI-UHFFFAOYSA-N	-1	3	509.628	3.840	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)CC2)cc1	ZINC000409384265	1066284274	/nfs/dbraw/zinc/28/42/74/1066284274.db2.gz	CCXOKMLHWOYRLK-UHFFFAOYSA-N	-1	3	509.628	3.840	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3)CC2)cc1	ZINC000409384762	1066816870	/nfs/dbraw/zinc/81/68/70/1066816870.db2.gz	GAIRJESTCJHWPU-UHFFFAOYSA-N	-1	3	509.628	3.840	40	10		KHCBHM
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)CC2)cc1	ZINC000409390135	1066822961	/nfs/dbraw/zinc/82/29/61/1066822961.db2.gz	JORNKDWGWQVZSX-UHFFFAOYSA-N	-1	3	516.019	3.877	40	10		KHCBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1	ZINC000409390171	1066823105	/nfs/dbraw/zinc/82/31/05/1066823105.db2.gz	JVUXJNNJSAMITD-UHFFFAOYSA-N	-1	3	525.627	3.622	40	10		KHCBHM