smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCOc1cccc2c1C(=O)c1cccc(OCCC[NH+](CC)CC)c1C2=O	ZINC000004783343	520623932	/nfs/dbraw/zinc/62/39/32/520623932.db2.gz	MQXHQMSMYABBAD-UHFFFAOYSA-N	2	0	466.622	4.683	40	10		JJCBRP
[O-]c1c(C[NH2+]Cc2ccccc2)c(O)c(C[NH2+]Cc2ccccc2)c(O)c1C[NH2+]Cc1ccccc1	ZINC000001679809	194131480	/nfs/dbraw/zinc/13/14/80/194131480.db2.gz	CWCVEKYZLWDOTO-UHFFFAOYSA-N	2	0	483.612	4.673	40	10		JJCBRP
[O-]c1c(C[NH2+]Cc2ccccc2)cc(C[NH2+]Cc2ccccc2)c(O)c1C[NH2+]Cc1ccccc1	ZINC000001679808	194131346	/nfs/dbraw/zinc/13/13/46/194131346.db2.gz	QVWDWYNJUUKBGL-UHFFFAOYSA-N	2	0	467.613	4.967	40	10		JJCBRP