smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1c2ccccc2[C@]2(NC(=[NH2+])NC(N3CCOCC3)=[NH+]2)C1=O	ZINC000019330852	212017005	/nfs/dbraw/zinc/01/70/05/212017005.db2.gz	RATBWUYQHLVBEE-QGZVFWFLSA-N	2	1	340.387	-0.022	40	30		EBEBMP
C[NH+]1CCCN(CCC(N)=O)CC[N@@H+](C)CCCN(CC#N)CC1	ZINC000068604297	419009663	/nfs/dbraw/zinc/00/96/63/419009663.db2.gz	DEDYAHZJTGKMAR-UHFFFAOYSA-N	2	1	338.500	-0.353	40	30		EBEBMP
C[NH+]1CCCN(CC#N)CC[N@H+](C)CCCN(CCC(N)=O)CC1	ZINC000068604297	419009665	/nfs/dbraw/zinc/00/96/65/419009665.db2.gz	DEDYAHZJTGKMAR-UHFFFAOYSA-N	2	1	338.500	-0.353	40	30		EBEBMP
C[NH+]1CCCN(CC#N)CC[N@@H+](C)CCCN(CCC(N)=O)CC1	ZINC000068604297	419009671	/nfs/dbraw/zinc/00/96/71/419009671.db2.gz	DEDYAHZJTGKMAR-UHFFFAOYSA-N	2	1	338.500	-0.353	40	30		EBEBMP
C=CCN1c2ccccc2[C@@]2(NC(=[NH2+])NC(N3CCOCC3)=[NH+]2)C1=O	ZINC000019330856	377556574	/nfs/dbraw/zinc/55/65/74/377556574.db2.gz	RATBWUYQHLVBEE-KRWDZBQOSA-N	2	1	340.387	-0.022	40	30		EBEBMP