smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccn2c1nc1c(cc(C(=O)NCC[NH+]3CCOCC3)c(=N)n1CCOCCO)c2=O	ZINC000002508803	554231552	/nfs/dbraw/zinc/23/15/52/554231552.db2.gz	JMNFLNGHKJUXED-UHFFFAOYSA-N	1	2	470.530	-0.492	50	5		JBBALO
N=c1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2n1CC[NH+]1CCOCC1	ZINC000009472456	555255370	/nfs/dbraw/zinc/25/53/70/555255370.db2.gz	KRZDOAYYAVRRCY-UHFFFAOYSA-N	1	2	481.557	-0.477	50	5		JBBALO
O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009489531	555264613	/nfs/dbraw/zinc/26/46/13/555264613.db2.gz	CLARASCAUBTJAX-MRXNPFEDSA-N	1	2	466.476	-0.539	50	5		JBBALO
O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009489532	555264565	/nfs/dbraw/zinc/26/45/65/555264565.db2.gz	CLARASCAUBTJAX-INIZCTEOSA-N	1	2	466.476	-0.539	50	5		JBBALO
COc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-]	ZINC000012979179	556171724	/nfs/dbraw/zinc/17/17/24/556171724.db2.gz	LFTMHRGRNQZJQI-UHFFFAOYSA-N	1	2	457.509	-0.049	50	5		JBBALO
Cc1cccn2c1nc1c(cc(C(=O)NCCN3CCOCC3)c(=N)n1CC[NH+]1CCOCC1)c2=O	ZINC000013624929	555538704	/nfs/dbraw/zinc/53/87/04/555538704.db2.gz	QVDNLBUPZYMXNS-UHFFFAOYSA-N	1	2	495.584	-0.169	50	5		JBBALO
Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)c(=N)n3CC[NH+]3CCOCC3)c(=O)n2c1	ZINC000016742323	526255944	/nfs/dbraw/zinc/25/59/44/526255944.db2.gz	RRZZBVYNTHJBDJ-UHFFFAOYSA-N	1	2	495.584	-0.169	50	5		JBBALO