smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1	ZINC000013736475	558588623	/nfs/dbraw/zinc/58/86/23/558588623.db2.gz	XNWSLEOQFDUMSV-UHFFFAOYSA-N	2	2	416.157	4.513	10	0		HJAELP
COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000010314089	557859434	/nfs/dbraw/zinc/85/94/34/557859434.db2.gz	KSBVLGALJQGFKC-UHFFFAOYSA-N	2	2	420.340	4.957	10	0		HJAELP
COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1c(Cl)cccc1Cl	ZINC000010314086	557859509	/nfs/dbraw/zinc/85/95/09/557859509.db2.gz	KNWZQAWTAPLDHQ-UHFFFAOYSA-N	2	2	420.340	4.957	10	0		HJAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccccc1F	ZINC000010314040	557859459	/nfs/dbraw/zinc/85/94/59/557859459.db2.gz	FJSQSJUKBPIVMS-UHFFFAOYSA-N	2	2	417.912	4.833	10	0		HJAELP
COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccccc1Cl	ZINC000010314043	557859480	/nfs/dbraw/zinc/85/94/80/557859480.db2.gz	NHCYKPPZKDNSTH-UHFFFAOYSA-N	2	2	420.340	4.957	10	0		HJAELP
Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000010314125	557859418	/nfs/dbraw/zinc/85/94/18/557859418.db2.gz	IZEPQKRQDMKIEH-UHFFFAOYSA-N	2	2	414.347	4.713	10	0		HJAELP
Fc1ccc(COc2ccc(Br)cc2C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000010314028	557859450	/nfs/dbraw/zinc/85/94/50/557859450.db2.gz	IWNSVGZLBWMBGS-UHFFFAOYSA-N	2	2	418.310	4.544	10	0		HJAELP
COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000010314042	557859471	/nfs/dbraw/zinc/85/94/71/557859471.db2.gz	AJEYHZMXPSJGND-UHFFFAOYSA-N	2	2	420.340	4.957	10	0		HJAELP
Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1	ZINC000010314031	557859523	/nfs/dbraw/zinc/85/95/23/557859523.db2.gz	QBMCUYPLCUQUAH-UHFFFAOYSA-N	2	2	418.310	4.544	10	0		HJAELP