smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C(=O)[O-])c1ccc(C2CCCCC2)c2ccccc21	ZINC000000000828	567816509	/nfs/dbraw/zinc/81/65/09/567816509.db2.gz	VZUGVMQFWFVFBX-ZDUSSCGKSA-N	-1	0	282.383	5.076	50	0	in-man	CKAARM
O=C([O-])CCCCCCCCCCCc1ccccc1	ZINC000001641890	567840103	/nfs/dbraw/zinc/84/01/03/567840103.db2.gz	IXEHFJJSVBVZHI-UHFFFAOYSA-N	-1	0	276.420	5.215	50	0		CKAARM
Cc1ccc(CCCCCCCCCCCC(=O)[O-])cc1	ZINC000001719609	570349412	/nfs/dbraw/zinc/34/94/12/570349412.db2.gz	AIPKSBIXXCQYOQ-UHFFFAOYSA-N	-1	0	290.447	5.523	50	0		CKAARM
C[C@@H](C(=O)[O-])c1ccc(C2CCCCC2)c2ccccc21	ZINC000001842638	567843384	/nfs/dbraw/zinc/84/33/84/567843384.db2.gz	VZUGVMQFWFVFBX-CYBMUJFWSA-N	-1	0	282.383	5.076	50	0	in-man	CKAARM
CCCCCC1CCC(C2CCC(C(=O)[O-])CC2)CC1	ZINC000002022829	567844152	/nfs/dbraw/zinc/84/41/52/567844152.db2.gz	VRPANQODGRNWRV-UHFFFAOYSA-N	-1	0	280.452	5.264	50	0		CKAARM
CCCCCC1CCC(c2ccc(C(=O)[O-])cc2)CC1	ZINC000002022908	567844079	/nfs/dbraw/zinc/84/40/79/567844079.db2.gz	YXKKMVGGPRVHIL-UHFFFAOYSA-N	-1	0	274.404	5.239	50	0		CKAARM
O=C([O-])c1cc(C2CC2)ccc1-c1cccc2ccccc21	ZINC000002250435	567073088	/nfs/dbraw/zinc/07/30/88/567073088.db2.gz	LMEWSKRXBMKXAM-UHFFFAOYSA-N	-1	0	288.346	5.082	50	0		CKAARM
CC(C)CCCC[C@@H](C)CCOc1ccc(C(=O)[O-])cc1	ZINC000002381149	567845559	/nfs/dbraw/zinc/84/55/59/567845559.db2.gz	PDVPAYQFLGYHJM-OAHLLOKOSA-N	-1	0	292.419	5.006	50	0		CKAARM
CCCCCCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000002512494	567846364	/nfs/dbraw/zinc/84/63/64/567846364.db2.gz	ROJCBWVSXWIGAL-UHFFFAOYSA-N	-1	0	282.383	5.175	50	0		CKAARM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCC(=O)[O-]	ZINC000002558855	567148805	/nfs/dbraw/zinc/14/88/05/567148805.db2.gz	GNWWFEVBHYESNK-XGGJEREUSA-N	-1	0	296.476	5.223	50	0		CKAARM
CCCCCCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000002566763	567848436	/nfs/dbraw/zinc/84/84/36/567848436.db2.gz	IWWNTISKHOYKAN-UHFFFAOYSA-N	-1	0	298.382	5.011	50	0		CKAARM
CCCCCC[C@@H](CCCCc1ccccc1)C(=O)[O-]	ZINC000003033129	567851239	/nfs/dbraw/zinc/85/12/39/567851239.db2.gz	LCBWQGLBWNKWCZ-KRWDZBQOSA-N	-1	0	276.420	5.071	50	0		CKAARM
CCCCCC[C@H](CCCCc1ccccc1)C(=O)[O-]	ZINC000003033130	567851203	/nfs/dbraw/zinc/85/12/03/567851203.db2.gz	LCBWQGLBWNKWCZ-QGZVFWFLSA-N	-1	0	276.420	5.071	50	0		CKAARM
O=C([O-])CCCCCCCCCCSc1ccccc1	ZINC000003080782	567056819	/nfs/dbraw/zinc/05/68/19/567056819.db2.gz	BPYSWIMKOZCXIH-UHFFFAOYSA-N	-1	0	294.460	5.374	50	0		CKAARM
Cc1cccc(CCCCCCCCCCCC(=O)[O-])c1	ZINC000003191739	567162451	/nfs/dbraw/zinc/16/24/51/567162451.db2.gz	USJQPZBOUHUGTB-UHFFFAOYSA-N	-1	0	290.447	5.523	50	0		CKAARM
CCCCCCn1c2ccccc2c2cc(C(=O)[O-])ccc21	ZINC000003633931	169904691	/nfs/dbraw/zinc/90/46/91/169904691.db2.gz	HCKPYIQOGMUFKU-UHFFFAOYSA-N	-1	0	295.382	5.073	50	0		CKAARM
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)[O-]	ZINC000003777423	169911861	/nfs/dbraw/zinc/91/18/61/169911861.db2.gz	VZCCETWTMQHEPK-QNEBEIHSSA-N	-1	0	278.436	5.661	50	0	endogenous,world	CKAARM
CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-]	ZINC000003802188	567853608	/nfs/dbraw/zinc/85/36/08/567853608.db2.gz	OYHQOLUKZRVURQ-AVQMFFATSA-N	-1	0	280.452	5.885	50	0	endogenous,in-man	CKAARM
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-]	ZINC000003802189	567853593	/nfs/dbraw/zinc/85/35/93/567853593.db2.gz	DTOSIQBPPRVQHS-PDBXOOCHSA-N	-1	0	278.436	5.661	50	0	endogenous,world	CKAARM
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)[O-]	ZINC000003870057	169917997	/nfs/dbraw/zinc/91/79/97/169917997.db2.gz	DTOSIQBPPRVQHS-IUQGRGSQSA-N	-1	0	278.436	5.661	50	0	endogenous,in-man	CKAARM
CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)[O-]	ZINC000003875923	169918740	/nfs/dbraw/zinc/91/87/40/169918740.db2.gz	WBHHMMIMDMUBKC-KQPPXVQYSA-N	-1	0	298.467	5.079	50	0	in-vivo	CKAARM
CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)[O-]	ZINC000003875925	570321820	/nfs/dbraw/zinc/32/18/20/570321820.db2.gz	WBHHMMIMDMUBKC-XLNAKTSKSA-N	-1	0	298.467	5.079	50	0	in-vivo	CKAARM
CC(C)CCCC[C@H](C)CCOc1ccc(C(=O)[O-])cc1	ZINC000004060388	527703092	/nfs/dbraw/zinc/70/30/92/527703092.db2.gz	PDVPAYQFLGYHJM-HNNXBMFYSA-N	-1	0	292.419	5.006	50	0		CKAARM
CCCCSCCCCCCCCCCC(=O)[O-]	ZINC000004429794	567857663	/nfs/dbraw/zinc/85/76/63/567857663.db2.gz	WLQGZHKHDIWKQG-UHFFFAOYSA-N	-1	0	274.470	5.115	50	0		CKAARM
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]	ZINC000004474613	570331165	/nfs/dbraw/zinc/33/11/65/570331165.db2.gz	OYHQOLUKZRVURQ-HZJYTTRNSA-N	-1	0	280.452	5.885	50	0	endogenous,world	CKAARM
CC(C)CCCCCCCCCCCCCCC(=O)[O-]	ZINC000004556536	567858086	/nfs/dbraw/zinc/85/80/86/567858086.db2.gz	XDOFQFKRPWOURC-UHFFFAOYSA-N	-1	0	284.484	6.188	50	0	endogenous,in-man	CKAARM
CC[C@@H](C)CCCCCCCCCCCCC(=O)[O-]	ZINC000004556936	567858286	/nfs/dbraw/zinc/85/82/86/567858286.db2.gz	FXUKWLSZZHVEJD-MRXNPFEDSA-N	-1	0	270.457	5.798	50	0	endogenous,in-man	CKAARM
CC[C@H](C)CCCCCCCCCCCCC(=O)[O-]	ZINC000004556937	567858276	/nfs/dbraw/zinc/85/82/76/567858276.db2.gz	FXUKWLSZZHVEJD-INIZCTEOSA-N	-1	0	270.457	5.798	50	0	endogenous,in-man	CKAARM
CC(C)CCCCCCCCCCCCCCCC(=O)[O-]	ZINC000004557062	567858039	/nfs/dbraw/zinc/85/80/39/567858039.db2.gz	YETXGSGCWODRAA-UHFFFAOYSA-N	-1	0	298.511	6.579	50	0	endogenous,in-man	CKAARM
CC(C)CCCCCCCCCCCCCC(=O)[O-]	ZINC000004557076	566859535	/nfs/dbraw/zinc/85/95/35/566859535.db2.gz	IIUXHTGBZYEGHI-UHFFFAOYSA-N	-1	0	270.457	5.798	50	0	in-vitro	CKAARM
CC(C)CCCCCCCCCCCCC(=O)[O-]	ZINC000004557091	567858188	/nfs/dbraw/zinc/85/81/88/567858188.db2.gz	ZONJATNKKGGVSU-UHFFFAOYSA-N	-1	0	256.430	5.408	50	0	endogenous,in-man	CKAARM
CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC(=O)[O-]	ZINC000004654960	169993690	/nfs/dbraw/zinc/99/36/90/169993690.db2.gz	IJKRDVKGCQRKBI-MSOLQXFVSA-N	-1	0	296.495	6.188	50	0	in-vitro	CKAARM
CCCCCC[C@H]1C[C@@H]1CCCCCCCCCC(=O)[O-]	ZINC000004654961	560199380	/nfs/dbraw/zinc/19/93/80/560199380.db2.gz	IJKRDVKGCQRKBI-ROUUACIJSA-N	-1	0	296.495	6.188	50	0	in-vitro	CKAARM
CCCCCC[C@@H]1C[C@H]1CCCCCCCCCC(=O)[O-]	ZINC000004654962	169993816	/nfs/dbraw/zinc/99/38/16/169993816.db2.gz	IJKRDVKGCQRKBI-QZTJIDSGSA-N	-1	0	296.495	6.188	50	0	in-vitro	CKAARM
CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)[O-]	ZINC000004654963	169993949	/nfs/dbraw/zinc/99/39/49/169993949.db2.gz	IJKRDVKGCQRKBI-ZWKOTPCHSA-N	-1	0	296.495	6.188	50	0	in-vitro	CKAARM
[O-]c1cc(Cl)c2oc(Cc3ccccc3)cc2c1Cl	ZINC000004760964	170013270	/nfs/dbraw/zinc/01/32/70/170013270.db2.gz	VCOSSJNZBJGKEN-UHFFFAOYSA-N	-1	0	293.149	5.036	50	0		CKAARM
CCCCCC(=O)CCCCCCCCCCCC(=O)[O-]	ZINC000004823256	170023778	/nfs/dbraw/zinc/02/37/78/170023778.db2.gz	XJZICDVDQHWVAA-UHFFFAOYSA-N	-1	0	298.467	5.512	50	0		CKAARM
CCCCC(/C=C/C1=C(C)CCCC1(C)C)=C/C(=O)[O-]	ZINC000004830999	170025672	/nfs/dbraw/zinc/02/56/72/170025672.db2.gz	RMPQFYYBNCMFTG-JXIMYUQQSA-N	-1	0	276.420	5.270	50	0		CKAARM
CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)[O-]	ZINC000005758922	170137598	/nfs/dbraw/zinc/13/75/98/170137598.db2.gz	PAHGJZDQXIOYTH-RCCFBDPRSA-N	-1	0	298.511	6.146	50	0	endogenous,in-man	CKAARM
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)[O-]	ZINC000005758964	170137635	/nfs/dbraw/zinc/13/76/35/170137635.db2.gz	PAHGJZDQXIOYTH-OKZBNKHCSA-N	-1	0	298.511	6.146	50	0	endogenous,in-man	CKAARM
[O-]c1c2sc3ccccc3c2c(Cl)cc1Cl	ZINC000005948907	566893724	/nfs/dbraw/zinc/89/37/24/566893724.db2.gz	XNKQBWRCZNGRNW-UHFFFAOYSA-N	-1	0	269.152	5.067	50	0		CKAARM
[S-]c1ccc(-c2ccc(-c3ccccc3)cc2)cc1	ZINC000012471084	567863489	/nfs/dbraw/zinc/86/34/89/567863489.db2.gz	KDECGGARTQDFEI-UHFFFAOYSA-N	-1	0	262.377	5.309	50	0		CKAARM
CCCCC/C=C\C=C\CCCCCCCCC(=O)[O-]	ZINC000012504490	566962914	/nfs/dbraw/zinc/96/29/14/566962914.db2.gz	GKJZMAHZJGSBKD-NMMTYZSQSA-N	-1	0	280.452	5.885	50	0	in-vivo	CKAARM
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-]	ZINC000012954494	567864193	/nfs/dbraw/zinc/86/41/93/567864193.db2.gz	WBHHMMIMDMUBKC-QJWNTBNXSA-N	-1	0	298.467	5.079	50	0	endogenous,in-man	CKAARM
CCCCC/C=C/C/C=C\CCCCCCCC(=O)[O-]	ZINC000013508527	560217677	/nfs/dbraw/zinc/21/76/77/560217677.db2.gz	OYHQOLUKZRVURQ-KQHSAVHASA-N	-1	0	280.452	5.885	50	0	in-vitro	CKAARM
CCCCC/C=C\C=C/CCCCCCCCC(=O)[O-]	ZINC000013509298	170557424	/nfs/dbraw/zinc/55/74/24/170557424.db2.gz	GKJZMAHZJGSBKD-JPDBVBESSA-N	-1	0	280.452	5.885	50	0	in-vitro	CKAARM
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-]	ZINC000013551720	567866341	/nfs/dbraw/zinc/86/63/41/567866341.db2.gz	JIWBIWFOSCKQMA-LTKCOYKYSA-N	-1	0	276.420	5.437	50	0	endogenous,in-man	CKAARM
CCCC/C=C/C=C/C=C\CCCCCCCC(=O)[O-]	ZINC000016343340	567933552	/nfs/dbraw/zinc/93/35/52/567933552.db2.gz	CUXYLFPMQMFGPL-WPOADVJFSA-N	-1	0	278.436	5.661	50	0	biogenic,in-vitro	CKAARM
CC(C)(C)c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000021950629	171339346	/nfs/dbraw/zinc/33/93/46/171339346.db2.gz	ZJBGIFOUOQYLCZ-UHFFFAOYSA-N	-1	0	288.774	5.003	50	0		CKAARM
CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)[O-]	ZINC000027646178	171526182	/nfs/dbraw/zinc/52/61/82/171526182.db2.gz	HXQHFNIKBKZGRP-URPRIDOGSA-N	-1	0	278.436	5.661	50	0	in-vitro	CKAARM
O=C([O-])CCCCCCCCCC1CCCCC1	ZINC000060049757	567896632	/nfs/dbraw/zinc/89/66/32/567896632.db2.gz	MTOMGZASKDASFR-UHFFFAOYSA-N	-1	0	254.414	5.162	50	0		CKAARM
CC(C)(C)c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000065351408	567898442	/nfs/dbraw/zinc/89/84/42/567898442.db2.gz	OIFZCPFICBJFFO-UHFFFAOYSA-N	-1	0	288.774	5.003	50	0		CKAARM
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C(=O)[O-]	ZINC000071404878	574416574	/nfs/dbraw/zinc/41/65/74/574416574.db2.gz	PAHGJZDQXIOYTH-BZSNNMDCSA-N	-1	0	298.511	6.146	50	0	endogenous,in-man	CKAARM
CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)C(=O)[O-]	ZINC000071404880	574416571	/nfs/dbraw/zinc/41/65/71/574416571.db2.gz	PAHGJZDQXIOYTH-KSZLIROESA-N	-1	0	298.511	6.146	50	0	endogenous,in-man	CKAARM
CC[C@H](C(=O)[O-])c1cccc2c(-c3ccccc3)cccc21	ZINC000071771482	176262246	/nfs/dbraw/zinc/26/22/46/176262246.db2.gz	JPGLTXGUKFKBMP-HNNXBMFYSA-N	-1	0	290.362	5.085	50	0		CKAARM
CC[C@@H](C(=O)[O-])c1cccc2c(-c3ccccc3)cccc21	ZINC000071771484	176262480	/nfs/dbraw/zinc/26/24/80/176262480.db2.gz	JPGLTXGUKFKBMP-OAHLLOKOSA-N	-1	0	290.362	5.085	50	0		CKAARM
CC1(C)C[C@@]2(C)CC=C[C@@]23[C@@H]1CC[C@]3(C)CCCC(=O)[O-]	ZINC000071786438	566917491	/nfs/dbraw/zinc/91/74/91/566917491.db2.gz	MSBPMUGOKPFIFF-FDPIWHGQSA-N	-1	0	290.447	5.040	50	0		CKAARM
CCCCC[C@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)CC1	ZINC000100004059	567911892	/nfs/dbraw/zinc/91/18/92/567911892.db2.gz	YXKKMVGGPRVHIL-GASCZTMLSA-N	-1	0	274.404	5.239	50	0		CKAARM
CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)[O-])CC2)CC1	ZINC000100050843	570257944	/nfs/dbraw/zinc/25/79/44/570257944.db2.gz	VRPANQODGRNWRV-WNKDZCFJSA-N	-1	0	280.452	5.264	50	0		CKAARM
CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)[O-])CC2)CC1	ZINC000242688515	570386015	/nfs/dbraw/zinc/38/60/15/570386015.db2.gz	VRPANQODGRNWRV-GARHLSDISA-N	-1	0	280.452	5.264	50	0		CKAARM
CCCCCC1CCC([C@H]2CC[C@H](C(=O)[O-])CC2)CC1	ZINC000242688517	333239294	/nfs/dbraw/zinc/23/92/94/333239294.db2.gz	VRPANQODGRNWRV-GWEOLNPGSA-N	-1	0	280.452	5.264	50	0		CKAARM
CCCCC[C@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)CC1	ZINC000242728189	131080447	/nfs/dbraw/zinc/08/04/47/131080447.db2.gz	YXKKMVGGPRVHIL-SHTZXODSSA-N	-1	0	274.404	5.239	50	0		CKAARM