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(C=C2SC(=S)[N-]C2=O)c1	ZINC000049371811	636076699	/nfs/dbraw/zinc/07/66/99/636076699.db2.gz	BRMDPPDDSHXHCL-POHAHGRESA-N	-1	1	249.360	3.633	20	0		BHADMM
CCCCCC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000082193146	384649567	/nfs/dbraw/zinc/64/95/67/384649567.db2.gz	AEJUBLBLSWCUHP-UHFFFAOYSA-N	-1	1	241.718	3.564	20	0		BHADMM
CC(C)C[C@H](C)[NH2+]Cc1cccc([O-])c1Cl	ZINC000328212197	324240250	/nfs/dbraw/zinc/24/02/50/324240250.db2.gz	IWUIQYNIPAXPIV-JTQLQIEISA-N	-1	1	241.762	3.570	20	0		BHADMM
CC(C)C[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl	ZINC000328212198	324240340	/nfs/dbraw/zinc/24/03/40/324240340.db2.gz	IWUIQYNIPAXPIV-SNVBAGLBSA-N	-1	1	241.762	3.570	20	0		BHADMM
Cc1cccc(NCc2cccc([O-])c2Cl)c1	ZINC000328221797	324254911	/nfs/dbraw/zinc/25/49/11/324254911.db2.gz	LSJPMWIYLVOXHY-UHFFFAOYSA-N	-1	1	247.725	3.966	20	0		BHADMM
[O-]c1cccc(CNc2ccccc2)c1Cl	ZINC000328249761	324308129	/nfs/dbraw/zinc/30/81/29/324308129.db2.gz	SIYBAWUJAXWHSU-UHFFFAOYSA-N	-1	1	233.698	3.658	20	0		BHADMM
CC[N@@H+](Cc1cccc([O-])c1Cl)CC(C)C	ZINC000328340707	388616050	/nfs/dbraw/zinc/61/60/50/388616050.db2.gz	MEEUILSOYYPRNA-UHFFFAOYSA-N	-1	1	241.762	3.524	20	0		BHADMM
Cc1ccccc1NCc1cccc([O-])c1Cl	ZINC000328385268	388642853	/nfs/dbraw/zinc/64/28/53/388642853.db2.gz	SQMVTIFCMOPVRP-UHFFFAOYSA-N	-1	1	247.725	3.966	20	0		BHADMM
CCC[C@H](C)[N@H+](C)Cc1cccc([O-])c1Cl	ZINC000328411308	388642359	/nfs/dbraw/zinc/64/23/59/388642359.db2.gz	XMGKJUBXQIVSAT-JTQLQIEISA-N	-1	1	241.762	3.666	20	0		BHADMM
CCC[C@@H](C)[N@H+](C)Cc1cccc([O-])c1Cl	ZINC000328411309	388642893	/nfs/dbraw/zinc/64/28/93/388642893.db2.gz	XMGKJUBXQIVSAT-SNVBAGLBSA-N	-1	1	241.762	3.666	20	0		BHADMM
CC[C@H](C)C[N@@H+](C)Cc1cccc([O-])c1Cl	ZINC000381977644	367475551	/nfs/dbraw/zinc/47/55/51/367475551.db2.gz	APDWYEMBZQDYAZ-JTQLQIEISA-N	-1	1	241.762	3.524	20	0		BHADMM
CN(Cc1cccc([O-])c1Cl)c1ccccc1	ZINC000383101184	397942541	/nfs/dbraw/zinc/94/25/41/397942541.db2.gz	BTOBLOXMARWNAG-UHFFFAOYSA-N	-1	1	247.725	3.682	20	0		BHADMM
CCC(C)(C)C[NH2+]Cc1cccc([O-])c1Cl	ZINC000393221471	387875001	/nfs/dbraw/zinc/87/50/01/387875001.db2.gz	CBDOPSDXHOIXNP-UHFFFAOYSA-N	-1	1	241.762	3.571	20	0		BHADMM
Cc1ccc(NCc2cccc([O-])c2Cl)cc1	ZINC000393245997	387886111	/nfs/dbraw/zinc/88/61/11/387886111.db2.gz	OMFNJZSINGUCKB-UHFFFAOYSA-N	-1	1	247.725	3.966	20	0		BHADMM
[O-]c1ccc(-c2cccc(F)c2F)c(F)c1F	ZINC000514260414	343637258	/nfs/dbraw/zinc/63/72/58/343637258.db2.gz	ASCRUYHPAMZTRL-UHFFFAOYSA-N	-1	1	242.171	3.616	20	0		BHADMM
[O-]c1ccc(Cl)cc1-c1cnc(C2CC2)o1	ZINC000530250166	324559296	/nfs/dbraw/zinc/55/92/96/324559296.db2.gz	HIRDVLZHZHJUMY-UHFFFAOYSA-N	-1	1	235.670	3.578	20	0		BHADMM
Cc1sc(C)c2c1[n-]c(C1CCCC1)nc2=O	ZINC000864355468	589355150	/nfs/dbraw/zinc/35/51/50/589355150.db2.gz	MSYQCHHGHPDCRN-UHFFFAOYSA-N	-1	1	248.351	3.671	20	0		BHADMM