smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1Cn1[n-]ccc1=O	159945733	344155042	/nfs/dbraw/zinc/15/50/42/344155042.db2.gz	ILIZDYLSCAKEJS-UHFFFAOYSA-N	-1	1	188.230	1.945	10	70		ADIEMM
Cc1cc(=O)[n-]c(-c2ccc[nH]2)n1	160674769	344174134	/nfs/dbraw/zinc/17/41/34/344174134.db2.gz	SNVWORUFYLVJGE-UHFFFAOYSA-N	-1	1	175.191	1.073	10	70		ADIEMM
Cc1ccc(-n2[n-]ccc2=O)cc1	159938839	344154396	/nfs/dbraw/zinc/15/43/96/344154396.db2.gz	HJQJNHMVGPJYAI-UHFFFAOYSA-N	-1	1	174.203	1.886	10	70		ADIEMM
O=c1cc[n-]n1Cc1ccc(F)cc1	159946423	344154915	/nfs/dbraw/zinc/15/49/15/344154915.db2.gz	SQYQEURGNAIXAX-UHFFFAOYSA-N	-1	1	192.193	1.776	10	70		ADIEMM
Cc1cc(F)ccc1-n1[n-]ccc1=O	159948591	344154993	/nfs/dbraw/zinc/15/49/93/344154993.db2.gz	WDOSMYPJMCRITR-UHFFFAOYSA-N	-1	1	192.193	1.857	10	70		ADIEMM
Cc1ccccc1-n1[n-]ccc1=O	159939569	344155008	/nfs/dbraw/zinc/15/50/08/344155008.db2.gz	LAMYIKLJWHTIAW-UHFFFAOYSA-N	-1	1	174.203	1.886	10	70		ADIEMM
Cc1cc(=O)[n-]c(-c2ccoc2C)n1	160404725	344165099	/nfs/dbraw/zinc/16/50/99/344165099.db2.gz	HXPMMQUCNPRPGG-UHFFFAOYSA-N	-1	1	190.202	1.647	10	70		ADIEMM
Cc1nc(-c2ccc[nH]2)[n-]c(=O)c1C	160440239	344166229	/nfs/dbraw/zinc/16/62/29/344166229.db2.gz	WENOZUNNBORDMG-UHFFFAOYSA-N	-1	1	189.218	1.382	10	70		ADIEMM
O=C(NC1CCC1)c1ccncc1[O-]	161353381	344189834	/nfs/dbraw/zinc/18/98/34/344189834.db2.gz	MIJIIFFHFHLGAC-UHFFFAOYSA-N	-1	1	192.218	1.070	10	70		ADIEMM
Cc1cc(=O)[n-]c(-c2occc2C)n1	160635113	409501921	/nfs/dbraw/zinc/50/19/21/409501921.db2.gz	ZLMYIPJJWKEKDS-UHFFFAOYSA-N	-1	1	190.202	1.647	10	70		ADIEMM