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+](C)CCCC(=O)OCC[N+](C)(C)C	ZINC000001677401	383921648	/nfs/dbraw/zinc/92/16/48/383921648.db2.gz	FKXCENPCEJAPQL-UHFFFAOYSA-N	2	0	217.333	0.578	40	5		BCBBRP
C[n+]1c2ccccc2[n+]2[nH]c3ccccc3n12	ZINC000016248987	190979916	/nfs/dbraw/zinc/97/99/16/190979916.db2.gz	ZMNICSIMJSXCPI-UHFFFAOYSA-O	2	0	224.267	0.984	40	5		BCBBRP
C[NH+](C)CCC(=O)OCC[N+](C)(C)C	ZINC000001677408	383921272	/nfs/dbraw/zinc/92/12/72/383921272.db2.gz	NLWFFPJHXLKQFT-UHFFFAOYSA-N	2	0	203.306	0.188	40	5		BCBBRP
C[C@@H](CCO)[N+]1(C)CC[N+](C)(C)CC1	ZINC000000272398	345422120	/nfs/dbraw/zinc/42/21/20/345422120.db2.gz	RXQJUVZQCIHWEF-NSHDSACASA-N	2	0	202.342	0.294	40	5		BCBBRP
C[N+](C)(C)CCOC(=O)CCCCC[NH3+]	ZINC000001677412	383921027	/nfs/dbraw/zinc/92/10/27/383921027.db2.gz	GYXYNWGBMPSLNP-UHFFFAOYSA-N	2	0	217.333	0.755	40	5		BCBBRP
C[N+](C)(C)C[C@@H]1CC[C@@H](C[N+](C)(C)C)C1=O	ZINC000001617303	383913487	/nfs/dbraw/zinc/91/34/87/383913487.db2.gz	VYANHMVPRSBSJH-RYUDHWBXSA-N	2	0	228.380	0.994	40	5		BCBBRP
C[C@H](CCO)[N+]1(C)CC[N+](C)(C)CC1	ZINC000004866424	342753594	/nfs/dbraw/zinc/75/35/94/342753594.db2.gz	RXQJUVZQCIHWEF-LLVKDONJSA-N	2	0	202.342	0.294	40	5		BCBBRP
C[N+](C)(C)C[C@H]1CC[C@H](C[N+](C)(C)C)C1=O	ZINC000001617304	383912712	/nfs/dbraw/zinc/91/27/12/383912712.db2.gz	VYANHMVPRSBSJH-VXGBXAGGSA-N	2	0	228.380	0.994	40	5		BCBBRP
C[N+](C)(C)C[C@H]1CC[C@@H](C[N+](C)(C)C)C1=O	ZINC000016953060	384476285	/nfs/dbraw/zinc/47/62/85/384476285.db2.gz	VYANHMVPRSBSJH-TXEJJXNPSA-N	2	0	228.380	0.994	40	5		BCBBRP
[NH3+]CCCC(CCC[NH3+])(CCC[NH3+])[N+](=O)[O-]	ZINC000014909855	181373466	/nfs/dbraw/zinc/37/34/66/181373466.db2.gz	FCIGUPDFRXUJSZ-UHFFFAOYSA-N	3	0	232.328	0.219	40	5		BCBBRP
C[N+](C)(C)CCC(=O)CC[N+](C)(C)C	ZINC000001622726	177487478	/nfs/dbraw/zinc/48/74/78/177487478.db2.gz	HWCRIVMIFSRZEM-UHFFFAOYSA-N	2	0	202.342	0.748	40	5		BCBBRP
C[N+](C)(C)CCCSC1=[NH+]CCN1	ZINC000001675931	383921179	/nfs/dbraw/zinc/92/11/79/383921179.db2.gz	ILMNGSKVQMXEKB-UHFFFAOYSA-N	2	0	202.347	0.775	40	5		BCBBRP