smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[NH+]1CCN(C[C@H](O)COc2ccc(OC[C@@H](O)CN3CC[NH+](CC(=C)C)CC3)cc2)CC1	ZINC000019314417	553612952	/nfs/dbraw/zinc/61/29/52/553612952.db2.gz	IBLYJNZFTQOXCS-UIOOFZCWSA-N	2	2	502.700	1.553	50	30		KDEALP
C=C(C)C[NH+]1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)CN3CC[NH+](CC(=C)C)CC3)cc2)CC1	ZINC000019314420	553613107	/nfs/dbraw/zinc/61/31/07/553613107.db2.gz	IBLYJNZFTQOXCS-CLJLJLNGSA-N	2	2	502.700	1.553	50	30		KDEALP
C=C(C)C[NH+]1CCN(C[C@@H](O)COc2ccc(OC[C@@H](O)CN3CC[NH+](CC(=C)C)CC3)cc2)CC1	ZINC000022916769	553766447	/nfs/dbraw/zinc/76/64/47/553766447.db2.gz	IBLYJNZFTQOXCS-WMPKNSHKSA-N	2	2	502.700	1.553	50	30		KDEALP
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=[NH+]/CCC[NH+](CCO)CCO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	ZINC000070691995	553609119	/nfs/dbraw/zinc/60/91/19/553609119.db2.gz	MKRWCAIQWFEWRD-CPXDYVAVSA-N	2	2	548.721	1.447	50	30	biogenic	KDEALP