smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)=[NH+]c1c(C)cc(C)cc1C	ZINC000039105229	168332279	/nfs/dbraw/zinc/33/22/79/168332279.db2.gz	CDGVFPHYBNOEGT-UHFFFAOYSA-N	1	2	203.329	4.504	10	30		BJEELO
CCCCCCCCCCCc1[nH]c(C)c[nH+]1	ZINC000059440518	520017354	/nfs/dbraw/zinc/01/73/54/520017354.db2.gz	JQEVCCUJHLRAEY-UHFFFAOYSA-N	1	2	236.403	4.791	10	30		BJEELO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000100649773	191063561	/nfs/dbraw/zinc/06/35/61/191063561.db2.gz	UDWRJSSBFBSTOO-GQANEQPESA-N	1	2	248.329	4.571	10	30		BJEELO
CCCCCCCC[NH2+]c1ccc(OC)cc1C	ZINC000109958335	369569495	/nfs/dbraw/zinc/56/94/95/369569495.db2.gz	UNXZOEGELNNNNM-UHFFFAOYSA-N	1	2	249.398	4.776	10	30		BJEELO
CCCCCCCCCCCCc1c[nH+]c[nH]1	ZINC000114364237	343120051	/nfs/dbraw/zinc/12/00/51/343120051.db2.gz	SKQZEXUQCZYTEM-UHFFFAOYSA-N	1	2	236.403	4.873	10	30		BJEELO
CCCCCCCCCCCCc1c[nH]c[nH+]1	ZINC000114364237	343120048	/nfs/dbraw/zinc/12/00/48/343120048.db2.gz	SKQZEXUQCZYTEM-UHFFFAOYSA-N	1	2	236.403	4.873	10	30		BJEELO