smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000013733966	556297192	/nfs/dbraw/zinc/29/71/92/556297192.db2.gz	UQVHWCZJXFSUBD-UHFFFAOYSA-N	2	0	440.075	6.725	10	0		IKAERP
C[NH+](C)CCSc1cccc(-c2cc(-c3cccs3)nc(SCC[NH+](C)C)n2)c1	ZINC000001614124	562923120	/nfs/dbraw/zinc/92/31/20/562923120.db2.gz	RKFHFYNMFSADFC-UHFFFAOYSA-N	2	0	444.695	5.180	10	0		IKAERP
Clc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(-c3ccsc3)nc2c1	ZINC000064031698	556822547	/nfs/dbraw/zinc/82/25/47/556822547.db2.gz	WAALMNOAZBPIHG-FDDCHVKYSA-N	2	0	426.029	5.971	10	0		IKAERP
CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1	ZINC000028893119	563068604	/nfs/dbraw/zinc/06/86/04/563068604.db2.gz	ZYALYWXELCWDBL-VWLOTQADSA-N	2	0	428.617	5.189	10	0		IKAERP
CC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000004097964	560195111	/nfs/dbraw/zinc/19/51/11/560195111.db2.gz	BYHWAEAVIGYEBJ-QJTMEEEXSA-N	2	0	438.619	5.872	10	0	in-vitro	IKAERP