smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2c3c(ccc2NCC[NH+]2CCOCC2)n(CC[NH2+]CCO)nc3-c2c(O)ccc(O)c21	ZINC000028758100	563077953	/nfs/dbraw/zinc/07/79/53/563077953.db2.gz	CCXRHPMPBTVQIK-UHFFFAOYSA-N	2	2	467.526	0.985	1	10		JCCFLP
C[NH+](C)CC[NH2+]CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758826	563077957	/nfs/dbraw/zinc/07/79/57/563077957.db2.gz	AMIDAKDFWVYRPG-UHFFFAOYSA-N	3	2	468.558	0.804	1	10		JCCFLP
C[NH+](C)CCNc1ccc(NCC[NH+](CCO)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000029486619	563105603	/nfs/dbraw/zinc/10/56/03/563105603.db2.gz	PQHCFYOBELSBBT-UHFFFAOYSA-N	2	2	472.542	0.545	1	10		JCCFLP
C[NH+](CCO)CCNc1ccc(NCC[N@@H+](C)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000029549563	563106230	/nfs/dbraw/zinc/10/62/30/563106230.db2.gz	WHYJNTRCUKVEKK-UHFFFAOYSA-N	2	2	472.542	0.545	1	10		JCCFLP
C[NH+](CCO)CCNc1ccc(NCC[N@H+](C)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000029549563	563106229	/nfs/dbraw/zinc/10/62/29/563106229.db2.gz	WHYJNTRCUKVEKK-UHFFFAOYSA-N	2	2	472.542	0.545	1	10		JCCFLP