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)CCC[C@@H](C)Nc1c2cc(N)c(Cl)cc2nc2ccc(OC)cc21	ZINC000004363965	558461188	/nfs/dbraw/zinc/46/11/88/558461188.db2.gz	AAUBBNVAOSGOOE-OAHLLOKOSA-N	1	3	414.981	5.555	50	10		HKCAHO
CC[NH+](CC)CCC[C@H](C)Nc1c2cc(N)c(Cl)cc2nc2ccc(OC)cc21	ZINC000004363970	558461114	/nfs/dbraw/zinc/46/11/14/558461114.db2.gz	AAUBBNVAOSGOOE-HNNXBMFYSA-N	1	3	414.981	5.555	50	10		HKCAHO
Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)Cc2ccccc2[O-])CC1	ZINC000012436362	558409019	/nfs/dbraw/zinc/40/90/19/558409019.db2.gz	AIMXMAKHAWSHEA-UHFFFAOYSA-N	1	3	415.581	5.010	50	10		HKCAHO
Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)Cc2ccccc2[O-])CC1	ZINC000012436362	558409021	/nfs/dbraw/zinc/40/90/21/558409021.db2.gz	AIMXMAKHAWSHEA-UHFFFAOYSA-N	1	3	415.581	5.010	50	10		HKCAHO