smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(N2CCC(NC(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)CC2)CC1	ZINC001468411714	1068272291	/nfs/dbraw/zinc/27/22/91/1068272291.db2.gz	VLMVXLQXPOISGN-UHFFFAOYSA-N	1	3	458.563	1.621	20	5		JDBDHO
CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1	ZINC001509518356	1073661232	/nfs/dbraw/zinc/66/12/32/1073661232.db2.gz	HACUROYUEBLNMN-NRFANRHFSA-N	1	3	484.605	1.936	20	5		JDBDHO
CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1	ZINC001509518356	1073661235	/nfs/dbraw/zinc/66/12/35/1073661235.db2.gz	HACUROYUEBLNMN-NRFANRHFSA-N	1	3	484.605	1.936	20	5		JDBDHO
CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1	ZINC001509518358	1073662415	/nfs/dbraw/zinc/66/24/15/1073662415.db2.gz	HACUROYUEBLNMN-OAQYLSRUSA-N	1	3	484.605	1.936	20	5		JDBDHO
CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1	ZINC001509518358	1073662425	/nfs/dbraw/zinc/66/24/25/1073662425.db2.gz	HACUROYUEBLNMN-OAQYLSRUSA-N	1	3	484.605	1.936	20	5		JDBDHO