smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)O[C@@H]1CCC[N+](C)(CCC[N+]2(C)CCC[C@H](OC(=O)N(C)C)C2)C1	ZINC000016999879	558811508	/nfs/dbraw/zinc/81/15/08/558811508.db2.gz	KOLHITJIMTXHLM-VINFYQEGSA-N	2	0	414.591	1.991	40	5		HDBBRP
CN(C)C(=O)O[C@H]1CCC[N+](C)(CCC[N+]2(C)CCC[C@H](OC(=O)N(C)C)C2)C1	ZINC000005046555	557629458	/nfs/dbraw/zinc/62/94/58/557629458.db2.gz	KOLHITJIMTXHLM-DLKVDTICSA-N	2	0	414.591	1.991	40	5		HDBBRP
C[NH+](C)CCNC(=O)c1cccc2nc3c(cccc3C(=O)NCC[NH+](C)C)nc21	ZINC000005541375	557660213	/nfs/dbraw/zinc/66/02/13/557660213.db2.gz	QRQPYAACCAOZOD-UHFFFAOYSA-N	2	0	408.506	1.366	40	5		HDBBRP
[NH3+]CCNCC[NH2+]Cc1c2ccccc2c(C[NH2+]CCNCC[NH3+])c2ccccc21	ZINC000022863770	558517801	/nfs/dbraw/zinc/51/78/01/558517801.db2.gz	SLYMIILEPURRQM-UHFFFAOYSA-N	4	0	408.594	1.269	40	5		HDBBRP