smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNc1ccc(NCC[NH2+]CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000026404094	563031942	/nfs/dbraw/zinc/03/19/42/563031942.db2.gz	UQIDOBATNIYRTE-UHFFFAOYSA-N	1	1	428.489	0.841	1	10		ICCFMO
C[NH+](C)CCn1nc2c3c1ccc(NCCN(CCO)CCO)c3C(=O)c1ccncc1-2	ZINC000027635033	563044903	/nfs/dbraw/zinc/04/49/03/563044903.db2.gz	KFYVZEXTXJWASD-UHFFFAOYSA-N	1	1	438.532	0.903	1	10		ICCFMO
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)O2)c(=O)[nH]c1=O	ZINC000029251731	563077255	/nfs/dbraw/zinc/07/72/55/563077255.db2.gz	LHYWOANRBUCIPU-CAOSSQGBSA-N	1	1	430.421	0.630	1	10		ICCFMO
CCCn1c(=O)c2c(ncn2CC[N@@H+](CC)CCO)n(CCc2ccc(N)cc2)c1=O	ZINC000045338249	563131694	/nfs/dbraw/zinc/13/16/94/563131694.db2.gz	VNYUXHOJOYUEEJ-UHFFFAOYSA-N	1	1	428.537	0.909	1	10		ICCFMO
NC(=[NH2+])NCCC[C@H](N)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447839	563153299	/nfs/dbraw/zinc/15/32/99/563153299.db2.gz	BVLHDXWAIIFJGE-SFHVURJKSA-N	1	1	446.511	0.920	1	10		ICCFMO
CCN(CC)c1ccc(/C=C2\NC(=O)N(C[C@H](O)CN3CC[NH+](CCO)CC3)C2=O)cc1	ZINC000095595041	563191183	/nfs/dbraw/zinc/19/11/83/563191183.db2.gz	PLPVWKOMEUUEBG-YLCCHKQJSA-N	1	1	445.564	0.396	1	10		ICCFMO
CCN(CC)c1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CC[NH+](CCO)CC3)C2=O)cc1	ZINC000095595042	563191218	/nfs/dbraw/zinc/19/12/18/563191218.db2.gz	PLPVWKOMEUUEBG-RLKVQFJASA-N	1	1	445.564	0.396	1	10		ICCFMO
Cc1cn([C@H]2C[C@H](O)[C@@H](C[NH2+]Cc3ccc(N4CCN(C)CC4)cc3F)O2)c(=O)[nH]c1=O	ZINC000061922246	563149419	/nfs/dbraw/zinc/14/94/19/563149419.db2.gz	CFAPBWXWSGHJEQ-XUVXKRRUSA-N	1	1	447.511	0.174	3	10		ICCFMO