smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1nc(NC)nc(NCCC[NH2+]CCCCCCCCC[NH2+]CCCNc2nc(NC)nc(NC)n2)n1	ZINC000013864374	561735268	/nfs/dbraw/zinc/73/52/68/561735268.db2.gz	QSHJNVNKABGNKD-UHFFFAOYSA-N	2	3	546.773	2.438	1	0		KEAFHP
c1cc(C[NH+]2CCCNCc3cncc(n3)CNCCC2)ccc1C[NH+]1CCCNCc2cncc(n2)CNCCC1	ZINC000027311377	561850755	/nfs/dbraw/zinc/85/07/55/561850755.db2.gz	TXAHPNSSLPJBPG-UHFFFAOYSA-N	2	3	572.806	2.217	1	0		KEAFHP
CCN(CCCNC(=S)NCCC[NH2+]CCCC[NH2+]CCCN)Cc1nc2c(c3ccccc3nc2N)n1CC(C)(C)O	ZINC000049775794	562679233	/nfs/dbraw/zinc/67/92/33/562679233.db2.gz	WBHHUIVQRYYJNQ-UHFFFAOYSA-N	2	3	614.909	2.312	1	0		KEAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CCCNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1	ZINC000064527497	562706954	/nfs/dbraw/zinc/70/69/54/562706954.db2.gz	YWTUAPLXBMYELT-MHZLTWQESA-N	2	3	544.785	2.005	1	0		KEAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CCCCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1	ZINC000064527498	562706964	/nfs/dbraw/zinc/70/69/64/562706964.db2.gz	AWQSDFYHCFZOJA-NDEPHWFRSA-N	2	3	552.764	2.129	1	0		KEAFHP
COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](N)CCCC[NH3+])c1	ZINC000084619903	562745397	/nfs/dbraw/zinc/74/53/97/562745397.db2.gz	PKYNIRJUEMAFDL-WWPVKYPJSA-N	2	3	515.703	2.010	1	0		KEAFHP
COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](N)CCCC[NH3+])c1	ZINC000084619905	562745391	/nfs/dbraw/zinc/74/53/91/562745391.db2.gz	PKYNIRJUEMAFDL-UEVCKROQSA-N	2	3	515.703	2.010	1	0		KEAFHP
COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH3+])c1	ZINC000084636058	562746322	/nfs/dbraw/zinc/74/63/22/562746322.db2.gz	PKYNIRJUEMAFDL-VJBMBRPKSA-N	2	3	515.703	2.010	1	0		KEAFHP
COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH3+])c1	ZINC000084636060	562746307	/nfs/dbraw/zinc/74/63/07/562746307.db2.gz	PKYNIRJUEMAFDL-OIBXWCBGSA-N	2	3	515.703	2.010	1	0		KEAFHP
CC(=O)O[C@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)C[C@@H](O)CC[C@H]1CCN2C[C@H]3C[C@@H](C2)CN(C3)C[NH+]=C(N)NC1	ZINC000085639204	565166523	/nfs/dbraw/zinc/16/65/23/565166523.db2.gz	VMYDHDHEQJWRFU-NEOPOEGOSA-N	2	3	614.832	2.264	1	0	biogenic,in-vitro	KEAFHP
C[NH2+][C@H](CNCC(=O)N(C)CCN(C)[C@H](C[NH2+][C@H](CN)CC(C)C)Cc1ccccc1)Cc1ccc(O)cc1	ZINC000299828260	562884399	/nfs/dbraw/zinc/88/43/99/562884399.db2.gz	HVVQAODTNPSZIV-AWCRTANDSA-N	2	3	540.797	2.077	1	0		KEAFHP