smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000218575693	557208189	/nfs/dbraw/zinc/20/81/89/557208189.db2.gz	LSJBRJNFCJFPEW-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
CCOc1ccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218573255	557208315	/nfs/dbraw/zinc/20/83/15/557208315.db2.gz	RWDYCSBUVIESFB-UHFFFAOYSA-N	-1	1	438.549	4.249	40	70		IIIBMM
Cc1ccc(OC[C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1	ZINC000218584628	557208646	/nfs/dbraw/zinc/20/86/46/557208646.db2.gz	KRUYMIGIKLMXGS-GOSISDBHSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218592524	557209046	/nfs/dbraw/zinc/20/90/46/557209046.db2.gz	QGNLXUFXGZFMJS-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccccc1OC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000218602434	557209657	/nfs/dbraw/zinc/20/96/57/557209657.db2.gz	XNWOMOQMYZTFKG-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
CCOc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000218406449	557197114	/nfs/dbraw/zinc/19/71/14/557197114.db2.gz	LUAFRBFWYSQAKB-UHFFFAOYSA-N	-1	1	438.549	4.249	40	70		IIIBMM
COc1ccc(CCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218592074	557208963	/nfs/dbraw/zinc/20/89/63/557208963.db2.gz	RVSNEQRBCGBMOI-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
COc1cccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1	ZINC000218584072	557208765	/nfs/dbraw/zinc/20/87/65/557208765.db2.gz	IUCLNYYNLPJBFT-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1ccccc1OC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000218584544	557208773	/nfs/dbraw/zinc/20/87/73/557208773.db2.gz	WDGQQBWQVQGSPU-SFHVURJKSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1	ZINC000218602524	557209632	/nfs/dbraw/zinc/20/96/32/557209632.db2.gz	ALHDEEWVBXARAS-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3ccc(F)cc3)c2)cc1	ZINC000218575388	557208340	/nfs/dbraw/zinc/20/83/40/557208340.db2.gz	DCIPUHOUZUQPFL-UHFFFAOYSA-N	-1	1	426.513	4.298	40	70		IIIBMM
Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000218592373	557208919	/nfs/dbraw/zinc/20/89/19/557208919.db2.gz	NOIOIZJCZQZSMA-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000218584472	557208743	/nfs/dbraw/zinc/20/87/43/557208743.db2.gz	WDGQQBWQVQGSPU-GOSISDBHSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000218603315	557209673	/nfs/dbraw/zinc/20/96/73/557209673.db2.gz	ABLSTALSIGWZRF-UHFFFAOYSA-N	-1	1	437.565	4.052	40	70		IIIBMM
COc1ccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1	ZINC000218584168	557208697	/nfs/dbraw/zinc/20/86/97/557208697.db2.gz	RJXBFQLSKMWKLO-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCCc1ccc(F)cc1	ZINC000218583908	557208534	/nfs/dbraw/zinc/20/85/34/557208534.db2.gz	OQCWAYUMRYRGQL-UHFFFAOYSA-N	-1	1	426.513	4.298	40	70		IIIBMM
COc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218408443	557197622	/nfs/dbraw/zinc/19/76/22/557197622.db2.gz	GXBNEHOFDORDBQ-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1ccc(OC[C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000218575933	557208201	/nfs/dbraw/zinc/20/82/01/557208201.db2.gz	HGCDUKJPRHVGHY-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000218593230	557209269	/nfs/dbraw/zinc/20/92/69/557209269.db2.gz	ADVMHQIHIGQRRG-UHFFFAOYSA-N	-1	1	437.565	4.052	40	70		IIIBMM
COc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1	ZINC000218601936	557209562	/nfs/dbraw/zinc/20/95/62/557209562.db2.gz	CVWMAFYQVFUNTH-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1	ZINC000218602598	557209550	/nfs/dbraw/zinc/20/95/50/557209550.db2.gz	ALHDEEWVBXARAS-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1cc(C(=O)NCCCc2ccc(F)cc2)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000218601737	557209680	/nfs/dbraw/zinc/20/96/80/557209680.db2.gz	UWKFGQOSXXWICN-UHFFFAOYSA-N	-1	1	426.513	4.298	40	70		IIIBMM
Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1	ZINC000218585721	557208751	/nfs/dbraw/zinc/20/87/51/557208751.db2.gz	MCSFGAREIFSTLW-UHFFFAOYSA-N	-1	1	438.549	4.221	40	70		IIIBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)COc3ccccc3C)c2)cc1	ZINC000218575867	557208375	/nfs/dbraw/zinc/20/83/75/557208375.db2.gz	YAFCZTGXZORXRV-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)COc3ccccc3C)cc2)cc1	ZINC000218408632	557197722	/nfs/dbraw/zinc/19/77/22/557197722.db2.gz	JKLBDBTUYQVGDY-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
COc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000218601844	557209615	/nfs/dbraw/zinc/20/96/15/557209615.db2.gz	HNEKGGLEGDEDMV-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1	ZINC000218603728	557209707	/nfs/dbraw/zinc/20/97/07/557209707.db2.gz	ZGOPPSRTUPCWEV-UHFFFAOYSA-N	-1	1	438.549	4.221	40	70		IIIBMM
COc1cccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1	ZINC000218575591	557208330	/nfs/dbraw/zinc/20/83/30/557208330.db2.gz	TUSNWUMJZPDURM-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000218408728	557197600	/nfs/dbraw/zinc/19/76/00/557197600.db2.gz	YWSMIWPUPYCIRU-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000218408805	557197689	/nfs/dbraw/zinc/19/76/89/557197689.db2.gz	YWSMIWPUPYCIRU-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(OC[C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000218575996	557208173	/nfs/dbraw/zinc/20/81/73/557208173.db2.gz	HGCDUKJPRHVGHY-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
COc1ccccc1CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000218575494	557208213	/nfs/dbraw/zinc/20/82/13/557208213.db2.gz	OXNFABLVGQOZGN-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
COc1ccccc1CCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000218591906	557208987	/nfs/dbraw/zinc/20/89/87/557208987.db2.gz	QNGFCVCBGIULCJ-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)COc3ccccc3C)cc2)cc1	ZINC000218408544	557197730	/nfs/dbraw/zinc/19/77/30/557197730.db2.gz	JKLBDBTUYQVGDY-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)cc1	ZINC000218409541	557197661	/nfs/dbraw/zinc/19/76/61/557197661.db2.gz	ZQLLKOLPZHMFCA-UHFFFAOYSA-N	-1	1	437.565	4.052	40	70		IIIBMM
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCCN(C)c1ccccc1	ZINC000218585346	557208769	/nfs/dbraw/zinc/20/87/69/557208769.db2.gz	PFABTXPXTJPYBO-UHFFFAOYSA-N	-1	1	437.565	4.052	40	70		IIIBMM
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000218602349	557209724	/nfs/dbraw/zinc/20/97/24/557209724.db2.gz	XNWOMOQMYZTFKG-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)COc3ccccc3C)c2)cc1	ZINC000218575796	557208269	/nfs/dbraw/zinc/20/82/69/557208269.db2.gz	YAFCZTGXZORXRV-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000218591808	557208910	/nfs/dbraw/zinc/20/89/10/557208910.db2.gz	PMCMMQZMTGVFOQ-UHFFFAOYSA-N	-1	1	426.513	4.298	40	70		IIIBMM
Cc1ccc(OC[C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1	ZINC000218584696	557208761	/nfs/dbraw/zinc/20/87/61/557208761.db2.gz	KRUYMIGIKLMXGS-SFHVURJKSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000218592321	557208927	/nfs/dbraw/zinc/20/89/27/557208927.db2.gz	NOIOIZJCZQZSMA-IBGZPJMESA-N	-1	1	438.549	4.302	40	70		IIIBMM
COc1ccccc1CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000218583992	557208607	/nfs/dbraw/zinc/20/86/07/557208607.db2.gz	XKMYOTMPTTZYKE-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
COc1cccc(CCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000218591972	557209058	/nfs/dbraw/zinc/20/90/58/557209058.db2.gz	XOLNTBMHNSKWRN-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218592474	557208875	/nfs/dbraw/zinc/20/88/75/557208875.db2.gz	QGNLXUFXGZFMJS-LJQANCHMSA-N	-1	1	438.549	4.302	40	70		IIIBMM
Cc1ccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000218593654	557209225	/nfs/dbraw/zinc/20/92/25/557209225.db2.gz	XBYDDFLWJOTHPY-UHFFFAOYSA-N	-1	1	438.549	4.221	40	70		IIIBMM
COc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1	ZINC000218602033	557209578	/nfs/dbraw/zinc/20/95/78/557209578.db2.gz	GOTOEUFZCZUQSV-UHFFFAOYSA-N	-1	1	438.549	4.167	40	70		IIIBMM