smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)N[C@@H](CO)C[S@](C)=O	ZINC000005351470	181233217	/nfs/dbraw/zinc/23/32/17/181233217.db2.gz	GVKNNGSGOIYHSQ-PBFCKEBOSA-N	-1	3	315.351	-1.760	40	0		DAABHM
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)N[C@H](CO)C[S@](C)=O	ZINC000005351474	181233362	/nfs/dbraw/zinc/23/33/62/181233362.db2.gz	GVKNNGSGOIYHSQ-CLTMPJROSA-N	-1	3	315.351	-1.760	40	0		DAABHM
CCOC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)OCC	ZINC000001709631	372762755	/nfs/dbraw/zinc/76/27/55/372762755.db2.gz	WHWJYXCEFPWNML-YUMQZZPRSA-N	-1	3	304.299	-1.211	40	0		DAABHM
Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000043772533	183385689	/nfs/dbraw/zinc/38/56/89/183385689.db2.gz	ABEWVEHXYZBELZ-LCZOEFHHSA-N	-1	3	313.270	-3.523	40	0	in-vitro	DAABHM
Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[n-]1	ZINC000064858446	184304765	/nfs/dbraw/zinc/30/47/65/184304765.db2.gz	ABEWVEHXYZBELZ-HBGVPEAKSA-N	-1	3	313.270	-3.523	40	0	in-vitro	DAABHM
COCC(=O)N1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1	ZINC000514290285	292178929	/nfs/dbraw/zinc/17/89/29/292178929.db2.gz	XBESVZIDLWGVGZ-BDAKNGLRSA-N	-1	3	313.335	-1.022	40	0	biogenic,in-vitro	DAABHM
O=c1[nH]c(=S)[n-]c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c21	ZINC000004879164	181167707	/nfs/dbraw/zinc/16/77/07/181167707.db2.gz	XZRCDMOVOPVOFF-HAVMAKPUSA-N	-1	3	300.296	-1.194	40	0		DAABHM
O=c1[nH]c(=S)[n-]c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c21	ZINC000004879158	181168022	/nfs/dbraw/zinc/16/80/22/181168022.db2.gz	XZRCDMOVOPVOFF-PXMDKTAGSA-N	-1	3	300.296	-1.194	40	0		DAABHM
C[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000005707436	181274637	/nfs/dbraw/zinc/27/46/37/181274637.db2.gz	ZHRZLXZJVUFLNY-YWIQKCBGSA-N	-1	3	302.331	-2.068	40	0		DAABHM
C[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000002242723	296015128	/nfs/dbraw/zinc/01/51/28/296015128.db2.gz	ZHRZLXZJVUFLNY-WCTZXXKLSA-N	-1	3	302.331	-2.068	40	0		DAABHM
N[N-]S(=O)(=O)c1cc(S(=O)(=O)NN)ccc1Cl	ZINC000001724573	372762174	/nfs/dbraw/zinc/76/21/74/372762174.db2.gz	SGAFLWBJMFLSOM-UHFFFAOYSA-N	-1	3	300.749	-1.356	40	0		DAABHM
CN(C)c1nc2c(nc[n-]c2=O)n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004877128	372767390	/nfs/dbraw/zinc/76/73/90/372767390.db2.gz	YNXIJOYYBJOOJH-TXRROPDSSA-N	-1	3	311.298	-2.203	40	0		DAABHM
CN1CCN(c2nc3c(nc[n-]c3=O)n2C[C@@H](O)CO)CC1	ZINC000006564874	372769304	/nfs/dbraw/zinc/76/93/04/372769304.db2.gz	FJNVGMNGKSWXNQ-SECBINFHSA-N	-1	3	308.342	-1.775	40	0		DAABHM
O=c1[nH]c(=S)[n-]c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c21	ZINC000017428511	372782556	/nfs/dbraw/zinc/78/25/56/372782556.db2.gz	XZRCDMOVOPVOFF-HFXAWCPLSA-N	-1	3	300.296	-1.568	40	0		DAABHM
O=c1[n-]c2c([nH]c(=O)[nH]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000013524035	372930951	/nfs/dbraw/zinc/93/09/51/372930951.db2.gz	XRFDFDQNRIGZOW-UMMCILCDSA-N	-1	3	300.227	-3.682	40	0	in-vitro	DAABHM
O=C(CN1CCOCC1)[N-]C1=Nc2ncccc2C(=O)NN1	ZINC000016958504	182066331	/nfs/dbraw/zinc/06/63/31/182066331.db2.gz	DKQAGPLBXLAEHV-UHFFFAOYSA-N	-1	3	304.310	-1.235	40	0		DAABHM
O=C([O-])CN1CC[C@@](O)(CNC(=O)c2cscn2)[C@H](O)C1	ZINC000257259125	373152737	/nfs/dbraw/zinc/15/27/37/373152737.db2.gz	KWXWDJAHDZDFQN-BXKDBHETSA-N	-1	3	315.351	-1.245	40	0		DAABHM
NC(=O)C[C@@H](NCc1cnc(N2CCOCC2)nc1)C(=O)[O-]	ZINC000218763224	373249818	/nfs/dbraw/zinc/24/98/18/373249818.db2.gz	ITLCCNCZZMJMET-SNVBAGLBSA-N	-1	3	309.326	-1.269	40	0		DAABHM
O=C1N[C@@H]2C(=C[C@H](O)[C@H](O)[C@@H]2O)c2cc3c(c([O-])c21)OCO3	ZINC000040747014	296391032	/nfs/dbraw/zinc/39/10/32/296391032.db2.gz	LZAZURSABQIKGB-XRWULPTJSA-N	-1	3	307.258	-1.287	40	0	biogenic,in-vitro	DAABHM
O=C1N[C@H]2C(=C[C@H](O)[C@H](O)[C@@H]2O)c2cc3c(c([O-])c21)OCO3	ZINC000040747016	296397252	/nfs/dbraw/zinc/39/72/52/296397252.db2.gz	LZAZURSABQIKGB-XAKBEVMPSA-N	-1	3	307.258	-1.287	40	0		DAABHM
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1Br	ZINC000004015712	181063179	/nfs/dbraw/zinc/06/31/79/181063179.db2.gz	AGFIRQJZCNVMCW-GCJQMDKQSA-N	-1	3	323.099	-2.089	40	0		DAABHM
CN(C)c1nc2c(nc[n-]c2=O)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004877121	181167149	/nfs/dbraw/zinc/16/71/49/181167149.db2.gz	YNXIJOYYBJOOJH-POYYFJLXSA-N	-1	3	311.298	-2.203	40	0		DAABHM
CCOC(=O)C[C@@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)OCC	ZINC000001709630	372761126	/nfs/dbraw/zinc/76/11/26/372761126.db2.gz	WHWJYXCEFPWNML-HTQZYQBOSA-N	-1	3	304.299	-1.211	40	0		DAABHM
CN(C)c1nc2c(nc[n-]c2=O)n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000017418524	372782531	/nfs/dbraw/zinc/78/25/31/372782531.db2.gz	YNXIJOYYBJOOJH-IZCITBFLSA-N	-1	3	311.298	-2.203	40	0		DAABHM
O=c1[n-]cnc2c1[nH]c(=S)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000008649832	296525743	/nfs/dbraw/zinc/52/57/43/296525743.db2.gz	NSOSGFJJXFKRDG-FULWYAMNSA-N	-1	3	300.296	-1.606	40	0		DAABHM
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001731788	303219795	/nfs/dbraw/zinc/21/97/95/303219795.db2.gz	HFKJBCPRWWGPEY-BQBZGAKWSA-N	-1	3	303.319	-1.989	40	0	endogenous,in-man	DAABHM
C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](C)O)[C@@H](C)O)C(=O)[O-]	ZINC000005462352	181246383	/nfs/dbraw/zinc/24/63/83/181246383.db2.gz	COYHRQWNJDJCNA-PQYJCFRRSA-N	-1	3	321.330	-3.490	40	0		DAABHM
C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)[C@H](C)O)[C@@H](C)O)C(=O)[O-]	ZINC000005462358	181246450	/nfs/dbraw/zinc/24/64/50/181246450.db2.gz	COYHRQWNJDJCNA-YQWDKWCMSA-N	-1	3	321.330	-3.490	40	0		DAABHM
NC(=O)c1csc([N-][C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)n1	ZINC000005706914	181274909	/nfs/dbraw/zinc/27/49/09/181274909.db2.gz	SMZZINFAYZDCIH-OEQWSMLSSA-N	-1	3	305.312	-2.546	40	0		DAABHM
CCOC(=O)C[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)OCC	ZINC000001709629	372761819	/nfs/dbraw/zinc/76/18/19/372761819.db2.gz	WHWJYXCEFPWNML-SFYZADRCSA-N	-1	3	304.299	-1.211	40	0		DAABHM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000032553840	372790639	/nfs/dbraw/zinc/79/06/39/372790639.db2.gz	WFPLLKYFQOVFHI-LURJTMIESA-N	-1	3	323.352	-2.129	40	0		DAABHM
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)N[C@H](CO)C[S@](C)=O	ZINC000017046537	182070936	/nfs/dbraw/zinc/07/09/36/182070936.db2.gz	GVKNNGSGOIYHSQ-SQBNXGIISA-N	-1	3	315.351	-1.760	40	0		DAABHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257212887	373150876	/nfs/dbraw/zinc/15/08/76/373150876.db2.gz	CFIUYYHUQIBVPK-NXEZZACHSA-N	-1	3	310.310	-1.595	40	0		DAABHM
Nc1nc(Cl)nc2c1ncn2[C@]1([O-])O[C@H](CO)[C@H](O)[C@H]1F	ZINC000095836564	373617234	/nfs/dbraw/zinc/61/72/34/373617234.db2.gz	INHHKRVRRUIAPA-PLWWYIFASA-N	-1	3	319.680	-1.245	40	0	in-vitro	DAABHM
C[C@@H](O)[C@@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[C@@H](C)O	ZINC000005462362	181246501	/nfs/dbraw/zinc/24/65/01/181246501.db2.gz	COYHRQWNJDJCNA-JTMCIWCCSA-N	-1	3	321.330	-3.490	40	0		DAABHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C(F)(F)F	ZINC000006090965	181312003	/nfs/dbraw/zinc/31/20/03/181312003.db2.gz	UEJHQHNFRZXWRD-UAKXSSHOSA-N	-1	3	312.200	-1.833	40	0		DAABHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CC[C@@](O)(CN2CCOCC2)C1	ZINC000257299845	203023467	/nfs/dbraw/zinc/02/34/67/203023467.db2.gz	RRVKGICXQKUIIS-CQSZACIVSA-N	-1	3	324.337	-1.203	40	0		DAABHM
O=C([O-])CN1CCOC[C@](O)(CNC(=O)c2cnccn2)C1	ZINC000257327771	203051878	/nfs/dbraw/zinc/05/18/78/203051878.db2.gz	XCPYOKYGVFOYNN-ZDUSSCGKSA-N	-1	3	310.310	-1.646	40	0		DAABHM
CCOC(=O)C[C@@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)OCC	ZINC000001709636	372762238	/nfs/dbraw/zinc/76/22/38/372762238.db2.gz	IRRORVYDQGKBDU-HTQZYQBOSA-N	-1	3	304.299	-1.211	40	0		DAABHM
CCOC(=O)C[C@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)OCC	ZINC000001709633	372762449	/nfs/dbraw/zinc/76/24/49/372762449.db2.gz	IRRORVYDQGKBDU-YUMQZZPRSA-N	-1	3	304.299	-1.211	40	0		DAABHM
O=C1[N-]C(=O)c2cc(S(=O)(=O)N(CCO)CCO)ccc21	ZINC000226860463	372876728	/nfs/dbraw/zinc/87/67/28/372876728.db2.gz	NCUSAIKAVAOZNL-UHFFFAOYSA-N	-1	3	314.319	-1.455	40	0		DAABHM
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1Br	ZINC000004015711	372953958	/nfs/dbraw/zinc/95/39/58/372953958.db2.gz	AGFIRQJZCNVMCW-LENIQADQSA-N	-1	3	323.099	-2.089	40	0		DAABHM
O=c1[n-]cnc2c1nc(Cl)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000038580965	183003427	/nfs/dbraw/zinc/00/34/27/183003427.db2.gz	ROPMUQKCJYNROP-UUOKFMHZSA-N	-1	3	302.674	-1.616	40	0		DAABHM
Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000064858443	184304646	/nfs/dbraw/zinc/30/46/46/184304646.db2.gz	ABEWVEHXYZBELZ-GFKUXRSRSA-N	-1	3	313.270	-3.523	40	0	in-vitro	DAABHM
CS(=O)(=O)N1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1	ZINC000514289992	295524254	/nfs/dbraw/zinc/52/42/54/295524254.db2.gz	QSPNVMHQSUMTJH-SFYZADRCSA-N	-1	3	319.364	-1.235	40	0	biogenic,in-vitro	DAABHM
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001731789	303220000	/nfs/dbraw/zinc/22/00/00/303220000.db2.gz	HFKJBCPRWWGPEY-RQJHMYQMSA-N	-1	3	303.319	-1.989	40	0	endogenous,in-man	DAABHM
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1Br	ZINC000004015713	181063169	/nfs/dbraw/zinc/06/31/69/181063169.db2.gz	AGFIRQJZCNVMCW-SKHQTKALSA-N	-1	3	323.099	-2.089	40	0		DAABHM
O=c1[n-]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1Br	ZINC000004534241	181121110	/nfs/dbraw/zinc/12/11/10/181121110.db2.gz	WOVKYSAHUYNSMH-DSYKOEDSSA-N	-1	3	307.100	-1.060	40	0	in-vitro	DAABHM
C[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000005707437	181275683	/nfs/dbraw/zinc/27/56/83/181275683.db2.gz	ZHRZLXZJVUFLNY-NGJRWZKOSA-N	-1	3	302.331	-2.068	40	0		DAABHM
O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1Br	ZINC000000402744	372759115	/nfs/dbraw/zinc/75/91/15/372759115.db2.gz	WOVKYSAHUYNSMH-LYFYHCNISA-N	-1	3	307.100	-1.060	40	0		DAABHM
CCOC(=O)C[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)OCC	ZINC000001709632	372762562	/nfs/dbraw/zinc/76/25/62/372762562.db2.gz	WHWJYXCEFPWNML-JGVFFNPUSA-N	-1	3	304.299	-1.211	40	0		DAABHM
CN(C)c1nc2c(nc[n-]c2=O)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000017418528	372781391	/nfs/dbraw/zinc/78/13/91/372781391.db2.gz	YNXIJOYYBJOOJH-YRCUVVFSSA-N	-1	3	311.298	-2.203	40	0		DAABHM
O=c1[nH]c(=S)[n-]c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c21	ZINC000017428503	372781527	/nfs/dbraw/zinc/78/15/27/372781527.db2.gz	XZRCDMOVOPVOFF-FULWYAMNSA-N	-1	3	300.296	-1.568	40	0		DAABHM
Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000064858438	184304963	/nfs/dbraw/zinc/30/49/63/184304963.db2.gz	ABEWVEHXYZBELZ-LPWJYYESSA-N	-1	3	313.270	-3.523	40	0	in-vitro	DAABHM
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1Br	ZINC000004015710	181063025	/nfs/dbraw/zinc/06/30/25/181063025.db2.gz	AGFIRQJZCNVMCW-FJDLHZNMSA-N	-1	3	323.099	-2.089	40	0		DAABHM
NC(=O)c1csc([N-][C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)n1	ZINC000005706913	181274960	/nfs/dbraw/zinc/27/49/60/181274960.db2.gz	SMZZINFAYZDCIH-LYNCRYNASA-N	-1	3	305.312	-2.546	40	0		DAABHM
NC(=O)c1csc([N-][C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)n1	ZINC000005706916	181275002	/nfs/dbraw/zinc/27/50/02/181275002.db2.gz	SMZZINFAYZDCIH-SDBNBOCMSA-N	-1	3	305.312	-2.546	40	0		DAABHM
O=C([O-])CN1CCOC[C@@](O)(CNC(=O)c2cnccn2)C1	ZINC000257327770	203051894	/nfs/dbraw/zinc/05/18/94/203051894.db2.gz	XCPYOKYGVFOYNN-CYBMUJFWSA-N	-1	3	310.310	-1.646	40	0		DAABHM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000032553838	372789857	/nfs/dbraw/zinc/78/98/57/372789857.db2.gz	WFPLLKYFQOVFHI-ZCFIWIBFSA-N	-1	3	323.352	-2.129	40	0		DAABHM
O=c1[n-]cnc2c1[nH]c(=S)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000009209175	372771180	/nfs/dbraw/zinc/77/11/80/372771180.db2.gz	NSOSGFJJXFKRDG-HAVMAKPUSA-N	-1	3	300.296	-1.606	40	0		DAABHM
NC(=O)C[C@H](NCc1cnc(N2CCOCC2)nc1)C(=O)[O-]	ZINC000218763256	373249770	/nfs/dbraw/zinc/24/97/70/373249770.db2.gz	ITLCCNCZZMJMET-JTQLQIEISA-N	-1	3	309.326	-1.269	40	0		DAABHM
CN1CCC([NH2+][C@@H](Cn2cc(F)c(=O)[n-]c2=O)C(=O)[O-])CC1	ZINC000067896194	373716012	/nfs/dbraw/zinc/71/60/12/373716012.db2.gz	RFSSTJWQYVIORK-JTQLQIEISA-N	-1	3	314.317	-1.187	40	0	biogenic,in-vitro	DAABHM
O=C1N[C@@H]2C(=C[C@@H](O)[C@H](O)[C@@H]2O)c2cc3c(c([O-])c21)OCO3	ZINC000000897592	296391090	/nfs/dbraw/zinc/39/10/90/296391090.db2.gz	LZAZURSABQIKGB-NUBDZMHLSA-N	-1	3	307.258	-1.287	40	0	biogenic,in-vitro	DAABHM
CC(=O)N1CCN(C[C@@H]2OC[C@H]([N-]S(C)(=O)=O)[C@H]2O)CC1	ZINC000514289101	257216487	/nfs/dbraw/zinc/21/64/87/257216487.db2.gz	OPSLSYXJINTRHX-SDDRHHMPSA-N	-1	3	321.399	-2.172	40	0	biogenic,in-vitro	DAABHM
O=C1N[C@H]2C(=C[C@@H](O)[C@H](O)[C@@H]2O)c2cc3c(c([O-])c21)OCO3	ZINC000040747019	280301141	/nfs/dbraw/zinc/30/11/41/280301141.db2.gz	LZAZURSABQIKGB-AYYNGFQXSA-N	-1	3	307.258	-1.287	40	0		DAABHM
CN1CCN(c2nc3c(nc[n-]c3=O)n2C[C@H](O)CO)CC1	ZINC000006564873	331496937	/nfs/dbraw/zinc/49/69/37/331496937.db2.gz	FJNVGMNGKSWXNQ-VIFPVBQESA-N	-1	3	308.342	-1.775	40	0		DAABHM
NC(=O)c1csc([N-][C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)n1	ZINC000005706915	181274974	/nfs/dbraw/zinc/27/49/74/181274974.db2.gz	SMZZINFAYZDCIH-FIJBBSBCSA-N	-1	3	305.312	-2.546	40	0		DAABHM
C[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000002564469	296015029	/nfs/dbraw/zinc/01/50/29/296015029.db2.gz	ZHRZLXZJVUFLNY-KVPKETBZSA-N	-1	3	302.331	-2.068	40	0		DAABHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CC[C@](O)(CN2CCOCC2)C1	ZINC000257299844	203023456	/nfs/dbraw/zinc/02/34/56/203023456.db2.gz	RRVKGICXQKUIIS-AWEZNQCLSA-N	-1	3	324.337	-1.203	40	0		DAABHM
CN1CCN([C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2O)CC1	ZINC000257339404	203059403	/nfs/dbraw/zinc/05/94/03/203059403.db2.gz	ZBOGOSROOCSORF-VXGBXAGGSA-N	-1	3	307.354	-1.385	40	0		DAABHM
CCOC(=O)C[C@@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)OCC	ZINC000001709634	372761553	/nfs/dbraw/zinc/76/15/53/372761553.db2.gz	IRRORVYDQGKBDU-JGVFFNPUSA-N	-1	3	304.299	-1.211	40	0		DAABHM
CCOC(=O)C[C@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)OCC	ZINC000001709635	372761694	/nfs/dbraw/zinc/76/16/94/372761694.db2.gz	IRRORVYDQGKBDU-SFYZADRCSA-N	-1	3	304.299	-1.211	40	0		DAABHM
Nc1nc(Cl)nc2c1ncn2[C@]1([O-])O[C@H](CO)[C@H](O)[C@@H]1F	ZINC000095836566	373616200	/nfs/dbraw/zinc/61/62/00/373616200.db2.gz	INHHKRVRRUIAPA-AALXMBJASA-N	-1	3	319.680	-1.245	40	0	in-vitro	DAABHM