smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000015821940	569010740	/nfs/dbraw/zinc/01/07/40/569010740.db2.gz	HVBWMXJFAXKJGL-XWAFYUISSA-N	-1	2	408.410	3.662	50	10		HHCALM
O=C([O-])c1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000013880336	558599458	/nfs/dbraw/zinc/59/94/58/558599458.db2.gz	BZVOQMSIFSAKGM-LDADJPATSA-N	-1	2	419.368	3.821	50	10		HHCALM
COc1ccc(Cl)cc1C=C1C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000033313744	568513717	/nfs/dbraw/zinc/51/37/17/568513717.db2.gz	DEHRSIBXJPHMFA-ZROIWOOFSA-N	-1	2	400.774	3.554	50	10		HHCALM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)[O-])C1=O	ZINC000020149509	525759017	/nfs/dbraw/zinc/75/90/17/525759017.db2.gz	BHFSNZMTJKXYPA-UKTHLTGXSA-N	-1	2	414.801	3.619	50	10		HHCALM
O=C(C(=O)c1cc(Br)ccc1O)c1cc(Br)ccc1[O-]	ZINC000001683334	557280335	/nfs/dbraw/zinc/28/03/35/557280335.db2.gz	AAOYLOCWJSLLJU-UHFFFAOYSA-N	-1	2	400.022	3.688	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000016312839	558785871	/nfs/dbraw/zinc/78/58/71/558785871.db2.gz	OLTCKKLHEMLIBQ-WUXMJOGZSA-N	-1	2	401.762	3.769	50	10		HHCALM
COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C(=O)[O-]	ZINC000016246689	560859576	/nfs/dbraw/zinc/85/95/76/560859576.db2.gz	TXHSCCGLMSMOHI-LCYFTJDESA-N	-1	2	414.801	3.862	50	10		HHCALM
Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)c(C)c1	ZINC000008970987	571197169	/nfs/dbraw/zinc/19/71/69/571197169.db2.gz	IHWAINKISWKVAP-YVLHZVERSA-N	-1	2	408.410	3.582	50	10		HHCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000008770390	132333293	/nfs/dbraw/zinc/33/32/93/132333293.db2.gz	UNLLRSTZQFSXME-FDIDITGRSA-N	-1	2	408.410	3.608	50	10		HHCALM
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-]	ZINC000033321915	559058008	/nfs/dbraw/zinc/05/80/08/559058008.db2.gz	AMXZIJCRTPDPJL-ZROIWOOFSA-N	-1	2	400.774	3.554	50	10		HHCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)c1	ZINC000002936837	568932612	/nfs/dbraw/zinc/93/26/12/568932612.db2.gz	ZLICMRURHXEIBF-LDADJPATSA-N	-1	2	416.389	3.620	50	10		HHCALM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)[O-])C1=O	ZINC000033306880	559051529	/nfs/dbraw/zinc/05/15/29/559051529.db2.gz	BHFSNZMTJKXYPA-LCYFTJDESA-N	-1	2	414.801	3.619	50	10		HHCALM
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000033313296	559055244	/nfs/dbraw/zinc/05/52/44/559055244.db2.gz	FNYRCDCUUMTGQD-JYRVWZFOSA-N	-1	2	400.774	3.554	50	10		HHCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000015821943	569010752	/nfs/dbraw/zinc/01/07/52/569010752.db2.gz	HVBWMXJFAXKJGL-BGARDKSCSA-N	-1	2	408.410	3.662	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1C	ZINC000008767623	571116017	/nfs/dbraw/zinc/11/60/17/571116017.db2.gz	PMSNRRWXVPZWRC-DZBQEORWSA-N	-1	2	408.410	3.662	50	10		HHCALM
CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000101150114	559143624	/nfs/dbraw/zinc/14/36/24/559143624.db2.gz	GECHTFRVUIZVIP-NTEUORMPSA-N	-1	2	400.778	3.665	50	10		HHCALM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000020149472	560881954	/nfs/dbraw/zinc/88/19/54/560881954.db2.gz	KFYYYLWJVPZHLB-OVCLIPMQSA-N	-1	2	414.801	3.619	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C2=O)cc1	ZINC000008997296	132334814	/nfs/dbraw/zinc/33/48/14/132334814.db2.gz	GPLGIAWFASZQDT-YVLHZVERSA-N	-1	2	403.394	3.541	50	10		HHCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1	ZINC000013810365	558595401	/nfs/dbraw/zinc/59/54/01/558595401.db2.gz	NHLXCIIGHLIFCK-PDGQHHTCSA-N	-1	2	416.389	3.824	50	10		HHCALM
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000002964135	960476629	/nfs/dbraw/zinc/47/66/29/960476629.db2.gz	SOEPSKWGGJFEAE-SFQUDFHCSA-N	-1	2	416.389	3.620	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)cc1C	ZINC000015821890	569010721	/nfs/dbraw/zinc/01/07/21/569010721.db2.gz	PMSNRRWXVPZWRC-XWAFYUISSA-N	-1	2	408.410	3.662	50	10		HHCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1C	ZINC000016350008	558787658	/nfs/dbraw/zinc/78/76/58/558787658.db2.gz	VIXVRUGOXFYVEY-FMNVXAMXSA-N	-1	2	408.410	3.662	50	10		HHCALM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000101148299	560788495	/nfs/dbraw/zinc/78/84/95/560788495.db2.gz	LVIYHYKXAMBBIU-MDWZMJQESA-N	-1	2	417.765	3.581	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)cc1C	ZINC000008767629	571116056	/nfs/dbraw/zinc/11/60/56/571116056.db2.gz	PMSNRRWXVPZWRC-JVVDOCDTSA-N	-1	2	408.410	3.662	50	10		HHCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000001198669	960461352	/nfs/dbraw/zinc/46/13/52/960461352.db2.gz	PMINPUGQAZEKHL-NTUHNPAUSA-N	-1	2	405.237	3.928	50	10		HHCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1	ZINC000012462778	132360864	/nfs/dbraw/zinc/36/08/64/132360864.db2.gz	NHLXCIIGHLIFCK-LDADJPATSA-N	-1	2	416.389	3.620	50	10		HHCALM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000101148418	560788757	/nfs/dbraw/zinc/78/87/57/560788757.db2.gz	VFNQVAAPUWDJSJ-NTEUORMPSA-N	-1	2	400.778	3.665	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1	ZINC000000843319	524927386	/nfs/dbraw/zinc/92/73/86/524927386.db2.gz	JGVVEPAACQNUEV-LDADJPATSA-N	-1	2	416.389	3.620	50	10		HHCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1C	ZINC000016350005	558787700	/nfs/dbraw/zinc/78/77/00/558787700.db2.gz	VIXVRUGOXFYVEY-RQNDZEIBSA-N	-1	2	408.410	3.662	50	10		HHCALM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000033306169	559051465	/nfs/dbraw/zinc/05/14/65/559051465.db2.gz	KFYYYLWJVPZHLB-NVNXTCNLSA-N	-1	2	414.801	3.619	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000018271997	560785877	/nfs/dbraw/zinc/78/58/77/560785877.db2.gz	DQEDMBUQJNJGRF-PDGQHHTCSA-N	-1	2	416.389	3.824	50	10		HHCALM
CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000101150135	560787057	/nfs/dbraw/zinc/78/70/57/560787057.db2.gz	HAFNQMAKUFCAFX-MDWZMJQESA-N	-1	2	417.765	3.581	50	10		HHCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000009311368	132338474	/nfs/dbraw/zinc/33/84/74/132338474.db2.gz	XHGQBWBQRKAWAO-QPEQYQDCSA-N	-1	2	421.236	3.764	50	10		HHCALM
O=C([O-])c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000033149446	526360643	/nfs/dbraw/zinc/36/06/43/526360643.db2.gz	PGZLTTMKDSSVFU-NTEUORMPSA-N	-1	2	415.199	3.654	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1C	ZINC000001185839	132241072	/nfs/dbraw/zinc/24/10/72/132241072.db2.gz	HEOKLNDYSKQSRZ-AWNIVKPZSA-N	-1	2	405.237	3.982	50	10		HHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1C	ZINC000015821894	569010680	/nfs/dbraw/zinc/01/06/80/569010680.db2.gz	PMSNRRWXVPZWRC-BGARDKSCSA-N	-1	2	408.410	3.662	50	10		HHCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000008770388	132333244	/nfs/dbraw/zinc/33/32/44/132333244.db2.gz	UNLLRSTZQFSXME-CYUIRQCWSA-N	-1	2	408.410	3.608	50	10		HHCALM