smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCCCCCCCCC1CCCCCC1	ZINC000004102330	560196805	/nfs/dbraw/zinc/19/68/05/560196805.db2.gz	OMZUUGOYASJZKP-UHFFFAOYSA-N	-1	0	282.468	5.942	10	0	in-vitro	CKAERM
CCCCC[C@H]1O/C1=C/C=C\CCCCCCCC(=O)[O-]	ZINC000004629856	560198775	/nfs/dbraw/zinc/19/87/75/560198775.db2.gz	ZFVKKBAQVWQQHP-OIWUYTFDSA-N	-1	0	294.435	5.221	10	0	in-vitro	CKAERM
CC(C)CCCCCCCCC/C=C\CCCCC(=O)[O-]	ZINC000004654915	560199295	/nfs/dbraw/zinc/19/92/95/560199295.db2.gz	QWCJNFBLSZGETP-CLFYSBASSA-N	-1	0	296.495	6.355	10	0	in-vitro	CKAERM
CCCCCCc1ccc(CCCCCCCC(=O)[O-])o1	ZINC000004654920	169993931	/nfs/dbraw/zinc/99/39/31/169993931.db2.gz	SZNVIDWMWMWUCY-UHFFFAOYSA-N	-1	0	294.435	5.370	10	0	in-vitro	CKAERM
O=C([O-])CCCCCCCCCCCCCCCF	ZINC000004654983	560199413	/nfs/dbraw/zinc/19/94/13/560199413.db2.gz	PNNLLDRVJFDXNL-UHFFFAOYSA-N	-1	0	274.420	5.502	10	0	in-vitro	CKAERM
[O-]c1c(Cl)cc(-c2ccc(Cl)cc2)cc1Cl	ZINC000004655378	560199595	/nfs/dbraw/zinc/19/95/95/560199595.db2.gz	OICMUGIRBDYVOV-UHFFFAOYSA-N	-1	0	273.546	5.019	10	0	in-vitro	CKAERM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)[O-]	ZINC000005158552	170072184	/nfs/dbraw/zinc/07/21/84/170072184.db2.gz	VOKDWPMRYSKGTB-NCZFFCEISA-N	-1	0	264.409	5.270	10	0		CKAERM
CC/C=C\CCCCCCCCCCCCCC(=O)[O-]	ZINC000005260609	170080760	/nfs/dbraw/zinc/08/07/60/170080760.db2.gz	KSIKGJKZYDOVFA-ARJAWSKDSA-N	-1	0	282.468	6.109	10	0		CKAERM
CCCCC/C=C/C[C@H]1O[C@H]1CCCCCCCC(=O)[O-]	ZINC000005510512	170105850	/nfs/dbraw/zinc/10/58/50/170105850.db2.gz	FBUKMFOXMZRGRB-CFMJQPPZSA-N	-1	0	296.451	5.096	10	0		CKAERM
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC(=O)[O-]	ZINC000005758641	170137608	/nfs/dbraw/zinc/13/76/08/170137608.db2.gz	FUYCAQNCWDAOLQ-HUUCEWRRSA-N	-1	0	256.430	5.120	10	0	endogenous,in-man	CKAERM
CC(C)CCC[C@@H](C)CCC[C@H](C)CCC(=O)[O-]	ZINC000005758685	170137561	/nfs/dbraw/zinc/13/75/61/170137561.db2.gz	FUYCAQNCWDAOLQ-CABCVRRESA-N	-1	0	256.430	5.120	10	0	endogenous,in-man	CKAERM
CC(C)CCC[C@H](C)CCC[C@@H](C)CCC(=O)[O-]	ZINC000005758915	170137355	/nfs/dbraw/zinc/13/73/55/170137355.db2.gz	FUYCAQNCWDAOLQ-LSDHHAIUSA-N	-1	0	256.430	5.120	10	0	endogenous,in-man	CKAERM
CC(C)CCC[C@H](C)CCC[C@H](C)CCC(=O)[O-]	ZINC000005758961	170137504	/nfs/dbraw/zinc/13/75/04/170137504.db2.gz	FUYCAQNCWDAOLQ-GJZGRUSLSA-N	-1	0	256.430	5.120	10	0	endogenous,in-man	CKAERM
CC/C=C/CCCC/C=C/CCCCCCCC(=O)[O-]	ZINC000005761880	571689205	/nfs/dbraw/zinc/68/92/05/571689205.db2.gz	AWGFYZFANDHELM-SCPMJEMWSA-N	-1	0	280.452	5.885	10	0	endogenous,in-man	CKAERM
CC/C=C/CCCCCCCCCCCCCC(=O)[O-]	ZINC000005761884	170137790	/nfs/dbraw/zinc/13/77/90/170137790.db2.gz	KSIKGJKZYDOVFA-ONEGZZNKSA-N	-1	0	282.468	6.109	10	0		CKAERM
CCC(=O)CCCCCCCCCCCCCCC(=O)[O-]	ZINC000005768058	170138964	/nfs/dbraw/zinc/13/89/64/170138964.db2.gz	VVQWXWRLWZLELC-UHFFFAOYSA-N	-1	0	298.467	5.512	10	0		CKAERM
CCCCCC(=O)CC/C=C/CCCCCCCC(=O)[O-]	ZINC000005819939	571690068	/nfs/dbraw/zinc/69/00/68/571690068.db2.gz	LDYZTLZOFONHNA-VQHVLOKHSA-N	-1	0	296.451	5.288	10	0	endogenous,in-man	CKAERM
CCCCC/C=C/C/C=C/CC/C=C\CCCC(=O)[O-]	ZINC000005819973	170144168	/nfs/dbraw/zinc/14/41/68/170144168.db2.gz	HXQHFNIKBKZGRP-ZGFBRDJISA-N	-1	0	278.436	5.661	10	0		CKAERM
CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)[O-]	ZINC000005820594	170144024	/nfs/dbraw/zinc/14/40/24/170144024.db2.gz	MUZYOAHCGSIXJH-JKSUJKDBSA-N	-1	0	268.441	5.408	10	0		CKAERM
CCCC[C@@H](C)CCCCCCCCCCC(=O)[O-]	ZINC000005821679	170144186	/nfs/dbraw/zinc/14/41/86/170144186.db2.gz	JKCYVUZEGXBWNK-MRXNPFEDSA-N	-1	0	270.457	5.798	10	0		CKAERM
CCCC[C@H](C)CCCCCCCCCCC(=O)[O-]	ZINC000005822001	170144158	/nfs/dbraw/zinc/14/41/58/170144158.db2.gz	JKCYVUZEGXBWNK-INIZCTEOSA-N	-1	0	270.457	5.798	10	0		CKAERM
CCCCC/C=C\CCCCCCCCCCC(=O)[O-]	ZINC000005972970	170164184	/nfs/dbraw/zinc/16/41/84/170164184.db2.gz	OXEDXHIBHVMDST-SREVYHEPSA-N	-1	0	282.468	6.109	10	0		CKAERM
O=C([O-])CCCCCCCCCCC1CCCCC1	ZINC000008437013	170336422	/nfs/dbraw/zinc/33/64/22/170336422.db2.gz	WFTPSUGFEZHCGU-UHFFFAOYSA-N	-1	0	268.441	5.552	10	0	endogenous,in-man	CKAERM
CCCCC/C=C\C/C=C\CCCCCC(=O)[O-]	ZINC000012493948	571693809	/nfs/dbraw/zinc/69/38/09/571693809.db2.gz	WPJGPAAPSBVXNU-HZJYTTRNSA-N	-1	0	252.398	5.104	10	0	endogenous,in-man	CKAERM
CC/C=C/CC/C=C/C/C=C/CC/C=C/CCC(=O)[O-]	ZINC000012496913	290882205	/nfs/dbraw/zinc/88/22/05/290882205.db2.gz	GODPUQPTJYDDHR-HYGYRGJESA-N	-1	0	276.420	5.437	10	0	biogenic,in-vitro	CKAERM
CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)[O-]	ZINC000013406037	571700484	/nfs/dbraw/zinc/70/04/84/571700484.db2.gz	OYKAXBUWOIRLGF-VMBRNALUSA-N	-1	0	292.419	5.368	10	0	endogenous,in-man	CKAERM
O=C([O-])CCCCCCCCCCC1CCCC1	ZINC000013429841	560216689	/nfs/dbraw/zinc/21/66/89/560216689.db2.gz	NYPUDXUXLBGPAZ-UHFFFAOYSA-N	-1	0	254.414	5.162	10	0	biogenic,in-vitro	CKAERM
CCCC/C=C/C/C=C/CCCCCCCCC(=O)[O-]	ZINC000013525153	560218533	/nfs/dbraw/zinc/21/85/33/560218533.db2.gz	ZODRLJLUCBBQSJ-HHWLVVFRSA-N	-1	0	280.452	5.885	10	0	biogenic,in-vitro	CKAERM
CCCCC[C@@H]1O/C1=C\C=C\CCCCCCCC(=O)[O-]	ZINC000013538831	560218970	/nfs/dbraw/zinc/21/89/70/560218970.db2.gz	ZFVKKBAQVWQQHP-MEQKAPTFSA-N	-1	0	294.435	5.221	10	0	in-vitro	CKAERM
CCCC/C=C/CCCCCCCCCC(=O)[O-]	ZINC000013546051	290882655	/nfs/dbraw/zinc/88/26/55/290882655.db2.gz	JGMYDQCXGIMHLL-AATRIKPKSA-N	-1	0	254.414	5.328	10	0	endogenous,in-man	CKAERM
CCCCCC[C@@H]1CC[C@@H](CCCCCCCC(=O)[O-])O1	ZINC000014439174	571705771	/nfs/dbraw/zinc/70/57/71/571705771.db2.gz	AQIVDANQKWQSRX-IAGOWNOFSA-N	-1	0	298.467	5.320	10	0	endogenous,in-man	CKAERM
CCCCCC[C@H]1CC[C@@H](CCCCCCCC(=O)[O-])O1	ZINC000014439176	571705721	/nfs/dbraw/zinc/70/57/21/571705721.db2.gz	AQIVDANQKWQSRX-DLBZAZTESA-N	-1	0	298.467	5.320	10	0	endogenous,in-man	CKAERM
CCCCCC[C@@H]1CC[C@H](CCCCCCCC(=O)[O-])O1	ZINC000014439177	571705715	/nfs/dbraw/zinc/70/57/15/571705715.db2.gz	AQIVDANQKWQSRX-SJORKVTESA-N	-1	0	298.467	5.320	10	0	endogenous,in-man	CKAERM
CCCCCC[C@H]1CC[C@H](CCCCCCCC(=O)[O-])O1	ZINC000014439179	571705672	/nfs/dbraw/zinc/70/56/72/571705672.db2.gz	AQIVDANQKWQSRX-IRXDYDNUSA-N	-1	0	298.467	5.320	10	0	endogenous,in-man	CKAERM
CCCCC/C=C\CC[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014494855	290882773	/nfs/dbraw/zinc/88/27/73/290882773.db2.gz	BNZYDQIAPCVNAT-BQLWYNFJSA-N	-1	0	298.467	5.079	10	0	biogenic,in-vitro	CKAERM
O=C([O-])CCCCCCC/C=C/CCCCCCCCO	ZINC000014494931	560221934	/nfs/dbraw/zinc/22/19/34/560221934.db2.gz	LQUHZVLTTWMBTO-OWOJBTEDSA-N	-1	0	298.467	5.081	10	0	in-vitro	CKAERM
CC[C@@H](C)CCC/C=C/CCCCCCCC(=O)[O-]	ZINC000014592042	560222745	/nfs/dbraw/zinc/22/27/45/560222745.db2.gz	JSOOUDKFWVPPEF-IQIBNGDESA-N	-1	0	268.441	5.574	10	0	in-vitro	CKAERM
CC[C@H](C)CCC/C=C/CCCCCCCC(=O)[O-]	ZINC000014592043	560222792	/nfs/dbraw/zinc/22/27/92/560222792.db2.gz	JSOOUDKFWVPPEF-BVBGJJFLSA-N	-1	0	268.441	5.574	10	0	in-vitro	CKAERM
O=C([O-])CCCCCCCCCCCCc1ccccc1	ZINC000014652501	170641106	/nfs/dbraw/zinc/64/11/06/170641106.db2.gz	JVPLVXRNWLOHML-UHFFFAOYSA-N	-1	0	290.447	5.605	10	0		CKAERM
CCCCCc1oc(CCCCCCC(=O)[O-])c(C)c1C	ZINC000015120892	574413808	/nfs/dbraw/zinc/41/38/08/574413808.db2.gz	RFNALLFQILGKLF-UHFFFAOYSA-N	-1	0	294.435	5.207	10	0	endogenous,in-man	CKAERM
CCCc1oc(CCCCCCCCC(=O)[O-])c(C)c1C	ZINC000015121051	260039072	/nfs/dbraw/zinc/03/90/72/260039072.db2.gz	NMZGYZMOQZXEOU-UHFFFAOYSA-N	-1	0	294.435	5.207	10	0		CKAERM
CCCCC/C=C/C[C@H]1O[C@@H]1CCCCCCCC(=O)[O-]	ZINC000015170090	170658818	/nfs/dbraw/zinc/65/88/18/170658818.db2.gz	FBUKMFOXMZRGRB-JSMQFAGNSA-N	-1	0	296.451	5.096	10	0		CKAERM
CC/C=C\CCCCCCCCCCCC(=O)[O-]	ZINC000015274081	571739232	/nfs/dbraw/zinc/73/92/32/571739232.db2.gz	UFRASUJYZLLIJC-ARJAWSKDSA-N	-1	0	254.414	5.328	10	0	endogenous,in-man	CKAERM
CCCCC[C@H]1O[C@@H]1CCCCCCCCCCC(=O)[O-]	ZINC000028770334	171574608	/nfs/dbraw/zinc/57/46/08/171574608.db2.gz	AHXFZOAYPPCFEB-IAGOWNOFSA-N	-1	0	298.467	5.320	10	0		CKAERM
CC/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-]	ZINC000030730667	171622838	/nfs/dbraw/zinc/62/28/38/171622838.db2.gz	FAFSAZIEJFMBBY-PDBXOOCHSA-N	-1	0	264.409	5.270	10	0	in-vitro	CKAERM
CC(/C=C/C1=C(C)C=CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000031976844	567885431	/nfs/dbraw/zinc/88/54/31/567885431.db2.gz	SYESMXTWOAQFET-YCNIQYBTSA-N	-1	0	298.426	5.379	10	0	in-man	CKAERM
[O-]c1c(Cl)cc(Cl)cc1-c1ccc(Cl)cc1	ZINC000032003905	171683500	/nfs/dbraw/zinc/68/35/00/171683500.db2.gz	GJWIPOLKTCFKGR-UHFFFAOYSA-N	-1	0	273.546	5.019	10	0		CKAERM
CC/C=C/CCCCCCCCCCCC(=O)[O-]	ZINC000033822116	171821546	/nfs/dbraw/zinc/82/15/46/171821546.db2.gz	UFRASUJYZLLIJC-ONEGZZNKSA-N	-1	0	254.414	5.328	10	0		CKAERM
CCCCC/C=C/C/C=C\CC/C=C\CCCC(=O)[O-]	ZINC000033822141	171821846	/nfs/dbraw/zinc/82/18/46/171821846.db2.gz	HXQHFNIKBKZGRP-RLCBDCDRSA-N	-1	0	278.436	5.661	10	0		CKAERM
CCCC[C@](CC)(CCCCCCCC(C)C)C(=O)[O-]	ZINC000098090024	185686692	/nfs/dbraw/zinc/68/66/92/185686692.db2.gz	CQLHVWKHJDIPGZ-GOSISDBHSA-N	-1	0	284.484	6.044	10	0		CKAERM
CCCCC[C@](C/C=C\c1ccccc1)(C(=O)[O-])C(C)C	ZINC000098090403	185686827	/nfs/dbraw/zinc/68/68/27/185686827.db2.gz	UTIOWRCTSGXBQW-QTJNJRLBSA-N	-1	0	288.431	5.397	10	0		CKAERM
CCCC1CCC(c2ccc([C@H](CC)C(=O)[O-])cc2)CC1	ZINC000098090623	185686572	/nfs/dbraw/zinc/68/65/72/185686572.db2.gz	AYEQKPWDEPXAOP-JMLCCBQJSA-N	-1	0	288.431	5.339	10	0		CKAERM