smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)[N@H+](Cc3cc(OC)ccc3O)C2)cc1	ZINC000102081258	554875807	/nfs/dbraw/zinc/87/58/07/554875807.db2.gz	STGSYTGVMCEKRA-JBZQRYMCSA-N	2	0	591.818	5.114	10	10		KKCERP
COc1cccc(C[NH+](CCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)CCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)c1	ZINC000028640787	561943059	/nfs/dbraw/zinc/94/30/59/561943059.db2.gz	HFDVRDSHSGEDIP-UHFFFAOYSA-N	3	0	734.728	10.228	10	10		KKCERP
CN1c2ccccc2SC1=Cc1cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]2ccc(C=C3Sc4ccccc4N3C)cc2)cc1	ZINC000087515704	717137442	/nfs/dbraw/zinc/13/74/42/717137442.db2.gz	OUIWRUVXYIBBQY-UHFFFAOYSA-N	4	0	695.059	7.241	10	10	in-vitro	KKCERP
C[n+]1ccc(C=CC=C2N(CCOCCN3c4ccccc4C(C)(C)C3=CC=Cc3cc[n+](C)c4ccccc34)c3ccccc3C2(C)C)c2ccccc21	ZINC000150626980	571523702	/nfs/dbraw/zinc/52/37/02/571523702.db2.gz	SOOPEDDRNSBYSR-UHFFFAOYSA-N	2	0	724.993	10.362	10	10		KKCERP
C[N+](C)(Cc1ccccc1)c1ccc2c(c1)OCCOCCOc1cc([N+](C)(C)Cc3ccccc3)ccc1OCCOCCO2	ZINC000095811288	717140243	/nfs/dbraw/zinc/14/02/43/717140243.db2.gz	CQIXZVNIUFNVHX-UHFFFAOYSA-N	2	0	628.810	6.483	10	10		KKCERP