smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/N=C\c2cc(Cl)cc(Cl)c2[O-])c(C)c1	ZINC000000101050	169535927	/nfs/dbraw/zinc/53/59/27/169535927.db2.gz	VENOCYFXAFJXGK-LSCVHKIXSA-N	-1	0	294.181	5.066	10	30		CKEERM
CCCCCC#CC/C=C/CCCCCCCC(=O)[O-]	ZINC000001530743	169711997	/nfs/dbraw/zinc/71/19/97/169711997.db2.gz	SAOSKFBYQJLQOS-MDZDMXLPSA-N	-1	0	278.436	5.332	10	30		CKEERM
CCCCCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000003162048	519960195	/nfs/dbraw/zinc/96/01/95/519960195.db2.gz	IGHJZBZGHASTQU-LICLKQGHSA-N	-1	0	288.218	5.088	10	30		CKEERM
CCCCCC(=O)/C=C/C=C/CCCCCCCC(=O)[O-]	ZINC000005820086	519921606	/nfs/dbraw/zinc/92/16/06/519921606.db2.gz	JHXAZBBVQSRKJR-KDFHGORWSA-N	-1	0	294.435	5.064	10	30	in-vitro	CKEERM
CCCCCC#CCCCCCCCCCCC(=O)[O-]	ZINC000006591926	170217537	/nfs/dbraw/zinc/21/75/37/170217537.db2.gz	UTJWKGZXCAQRPW-UHFFFAOYSA-N	-1	0	280.452	5.556	10	30		CKEERM
CCCCCCCCCCCCCCCCC(=O)C(=O)[O-]	ZINC000008216472	170324713	/nfs/dbraw/zinc/32/47/13/170324713.db2.gz	JUCAMRNDACLKGY-UHFFFAOYSA-N	-1	0	298.467	5.512	10	30	in-vitro	CKEERM
CCCCCCCCC1=C(CCCCCCC(=O)[O-])C1	ZINC000008220990	290883262	/nfs/dbraw/zinc/88/32/62/290883262.db2.gz	HPSSZFFAYWBIPY-UHFFFAOYSA-N	-1	0	280.452	5.863	10	30	biogenic,in-vitro	CKEERM
CCCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(=O)[O-]	ZINC000008437413	560209085	/nfs/dbraw/zinc/20/90/85/560209085.db2.gz	PVMIAUUBHIBDJY-DLBZAZTESA-N	-1	0	298.467	5.320	10	30	in-vitro	CKEERM
CCCCCCCCCCCCCC[C@H](OC)C(=O)[O-]	ZINC000008437640	170336354	/nfs/dbraw/zinc/33/63/54/170336354.db2.gz	YNBIUHDYZWCBSF-INIZCTEOSA-N	-1	0	286.456	5.177	10	30	in-vitro	CKEERM
CCCCCCCCCCCCCC[C@@H](OC)C(=O)[O-]	ZINC000008437644	170336620	/nfs/dbraw/zinc/33/66/20/170336620.db2.gz	YNBIUHDYZWCBSF-MRXNPFEDSA-N	-1	0	286.456	5.177	10	30	in-vitro	CKEERM
CCCCCCC/C=C/CCCCCCCC(=O)[O-]	ZINC000030731064	571743006	/nfs/dbraw/zinc/74/30/06/571743006.db2.gz	QSBYPNXLFMSGKH-CMDGGOBGSA-N	-1	0	268.441	5.718	10	30	endogenous,in-man	CKEERM
C=CCCCCCCCCCCCCCC(=O)[O-]	ZINC000038235721	560086147	/nfs/dbraw/zinc/08/61/47/560086147.db2.gz	HVODZEXFHPAFHB-UHFFFAOYSA-N	-1	0	254.414	5.328	10	30	biogenic,in-vitro	CKEERM
CCCCCCCC[C@H]1C[C@@H]1CCCCCCCC(=O)[O-]	ZINC000042765014	174869033	/nfs/dbraw/zinc/86/90/33/174869033.db2.gz	PDXZQLDUVAKMBQ-ROUUACIJSA-N	-1	0	296.495	6.188	10	30	in-vitro	CKEERM
CCCCCCCC[C@@H]1C[C@H]1CCCCCCCC(=O)[O-]	ZINC000042765019	560085789	/nfs/dbraw/zinc/08/57/89/560085789.db2.gz	PDXZQLDUVAKMBQ-QZTJIDSGSA-N	-1	0	296.495	6.188	10	30	in-vitro	CKEERM
CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)[O-]	ZINC000042765024	560085793	/nfs/dbraw/zinc/08/57/93/560085793.db2.gz	PDXZQLDUVAKMBQ-ZWKOTPCHSA-N	-1	0	296.495	6.188	10	30	in-vitro	CKEERM
CCCCCCC/C=C/C(=O)CCCCCCCC(=O)[O-]	ZINC000043617234	175079691	/nfs/dbraw/zinc/07/96/91/175079691.db2.gz	CCGQEYYMFYDMAX-SDNWHVSQSA-N	-1	0	296.451	5.288	10	30		CKEERM
CCCCCCCCCCCCCCCC(=O)[N-]C#N	ZINC000043677168	175088279	/nfs/dbraw/zinc/08/82/79/175088279.db2.gz	IXMNIQDZSADGEP-UHFFFAOYSA-N	-1	0	280.456	5.065	10	30		CKEERM
CCCCCCCCCCCCCCCC(=O)NOC	ZINC000043706311	175099703	/nfs/dbraw/zinc/09/97/03/175099703.db2.gz	HLQXLEOFBLMNDL-UHFFFAOYSA-N	-1	0	285.472	5.145	10	30		CKEERM
CCCCCCCCCCCCC#CCCCCC(=O)[O-]	ZINC000044352485	175166359	/nfs/dbraw/zinc/16/63/59/175166359.db2.gz	IHVJOQPMHFEHNY-UHFFFAOYSA-N	-1	0	294.479	5.946	10	30		CKEERM
CCCCCC/C=C\CC/C=C\CCCC(=O)[O-]	ZINC000044403998	175171455	/nfs/dbraw/zinc/17/14/55/175171455.db2.gz	FHLHSNNZRDBQGE-MQEUWQHPSA-N	-1	0	252.398	5.104	10	30		CKEERM
CCCCCCCCCCCCCC/C=C/C(=O)[O-]	ZINC000059359371	519988693	/nfs/dbraw/zinc/98/86/93/519988693.db2.gz	GEHPRJRWZDWFBJ-FOCLMDBBSA-N	-1	0	268.441	5.718	10	30		CKEERM
CCCCCCCC[C@@H](CCCCCC)CC(=O)[O-]	ZINC000059787166	570271652	/nfs/dbraw/zinc/27/16/52/570271652.db2.gz	ZJCPPSOBZDPPEI-MRXNPFEDSA-N	-1	0	270.457	5.798	10	30		CKEERM
CCCCCCCC[C@H](CCCCCC)CC(=O)[O-]	ZINC000059787167	567136691	/nfs/dbraw/zinc/13/66/91/567136691.db2.gz	ZJCPPSOBZDPPEI-INIZCTEOSA-N	-1	0	270.457	5.798	10	30		CKEERM
CCCCCCCCC/C=C\C=C\C(=O)CCCC(=O)[O-]	ZINC000072400264	176396937	/nfs/dbraw/zinc/39/69/37/176396937.db2.gz	YVWMHFYOIJMUMN-HSINTONASA-N	-1	0	294.435	5.064	10	30	in-vitro	CKEERM
CCCCCCCCC(=O)CCCCCCCCC(=O)[O-]	ZINC000073387472	567927020	/nfs/dbraw/zinc/92/70/20/567927020.db2.gz	BGKROBBCCGUUCF-UHFFFAOYSA-N	-1	0	298.467	5.512	10	30	endogenous,in-man	CKEERM
CCCCCCCCCCCCCCC[C@H]1O[C@@H]1C(=O)[O-]	ZINC000078203374	520004960	/nfs/dbraw/zinc/00/49/60/520004960.db2.gz	PXNTUSQLBMEDQF-SJORKVTESA-N	-1	0	298.467	5.320	10	30		CKEERM
CCCCCCCCCCCC(=O)CCCCCC(=O)[O-]	ZINC000086037969	179221858	/nfs/dbraw/zinc/22/18/58/179221858.db2.gz	QVRRSLQNYJZXJI-UHFFFAOYSA-N	-1	0	298.467	5.512	10	30		CKEERM
CCCCCCCC/C=C/CC/C=C\CCCC(=O)[O-]	ZINC000086050878	179223894	/nfs/dbraw/zinc/22/38/94/179223894.db2.gz	DFJAXEWDHVOILU-OMRPVRGDSA-N	-1	0	280.452	5.885	10	30		CKEERM
CCCCCCCCCCC/C=C\CCCCCC(=O)[O-]	ZINC000096023471	185066913	/nfs/dbraw/zinc/06/69/13/185066913.db2.gz	MBSJMRUSWQBXNI-SEYXRHQNSA-N	-1	0	296.495	6.499	10	30		CKEERM
CCCCCCCCCCC/C=C/CCCCCC(=O)[O-]	ZINC000096023472	185066330	/nfs/dbraw/zinc/06/63/30/185066330.db2.gz	MBSJMRUSWQBXNI-OUKQBFOZSA-N	-1	0	296.495	6.499	10	30		CKEERM
CCCCCCCCCCCC[C@H](CC)C(=O)[O-]	ZINC000100118348	185706682	/nfs/dbraw/zinc/70/66/82/185706682.db2.gz	STZGBQSXOHEXRA-HNNXBMFYSA-N	-1	0	256.430	5.408	10	30		CKEERM
CCCCCCCCCCCCCCC[C@@H]1O[C@H]1C(=O)[O-]	ZINC000100120643	520005096	/nfs/dbraw/zinc/00/50/96/520005096.db2.gz	PXNTUSQLBMEDQF-DLBZAZTESA-N	-1	0	298.467	5.320	10	30		CKEERM
CCCCCCCC/C=C\CC/C=C\CCCC(=O)[O-]	ZINC000100166303	185707180	/nfs/dbraw/zinc/70/71/80/185707180.db2.gz	DFJAXEWDHVOILU-KWUOUXIESA-N	-1	0	280.452	5.885	10	30		CKEERM
CCCCCCCCCCCCCCC[C@@H](C)CC(=O)[O-]	ZINC000101005963	185731140	/nfs/dbraw/zinc/73/11/40/185731140.db2.gz	VBVVLSXIGCWRIN-GOSISDBHSA-N	-1	0	298.511	6.579	10	30		CKEERM
CCCCCCCCCCCCCCC[C@H](C)CC(=O)[O-]	ZINC000101005966	185731665	/nfs/dbraw/zinc/73/16/65/185731665.db2.gz	VBVVLSXIGCWRIN-SFHVURJKSA-N	-1	0	298.511	6.579	10	30		CKEERM
CCCCCCCCCCCCS[C@@H](C)C(=O)[O-]	ZINC000103987650	185876431	/nfs/dbraw/zinc/87/64/31/185876431.db2.gz	YXNWKYMLMYBZSA-AWEZNQCLSA-N	-1	0	274.470	5.114	10	30		CKEERM
CCCCCCCCCSc1ccc(CC(=O)[O-])cc1	ZINC000105554480	186063265	/nfs/dbraw/zinc/06/32/65/186063265.db2.gz	KIMCNVOUNDKQMD-UHFFFAOYSA-N	-1	0	294.460	5.156	10	30		CKEERM