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(Cc3cc(OC)ccc3O)C2)cc1	ZINC000102081258	554875811	/nfs/dbraw/zinc/87/58/11/554875811.db2.gz	STGSYTGVMCEKRA-JBZQRYMCSA-N	1	1	591.818	5.114	10	10		KKCEMO
COc1cccc(C[N@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)Nc2ccc3sc(C)nc3c2)c1O	ZINC000012157533	553353011	/nfs/dbraw/zinc/35/30/11/553353011.db2.gz	WJUIWBMIBSQKFE-CTNGQTDRSA-N	1	1	506.653	5.088	10	10		KKCEMO
COc1ccc(-n2c(C)c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2-c2ccccc2)cc1OC	ZINC000103236340	555342369	/nfs/dbraw/zinc/34/23/69/555342369.db2.gz	VGWGVWLWMNFGSW-UHFFFAOYSA-N	1	1	571.721	7.017	10	10		KKCEMO
Cc1cc(O)c(C[NH+]2CCOCC2)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2	ZINC000035275786	554042792	/nfs/dbraw/zinc/04/27/92/554042792.db2.gz	NHGONPYIGRKKFZ-ZAOJZYTHSA-N	1	1	501.796	8.056	10	10	in-vitro	KKCEMO
CN1CC[NH+](CCCOc2ccc(N3C(=O)/C(=C/c4ccc(Oc5ccc(F)cc5)cc4)SC3=S)cc2)CC1	ZINC000205102633	562874945	/nfs/dbraw/zinc/87/49/45/562874945.db2.gz	UVNFVYYNRZPREN-HFTWOUSFSA-N	1	1	563.720	6.040	10	10		KKCEMO