smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc[nH]c1CSCC[NH2+]C[C@]1(O)CCC[NH2+]C1	ZINC000072433682	388963306	/nfs/dbraw/zinc/96/33/06/388963306.db2.gz	KIOVYXVBRMNHGT-ZDUSSCGKSA-N	2	0	284.429	0.655	50	10		CCCARP
CN(C)c1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1	ZINC000019796282	282294493	/nfs/dbraw/zinc/29/44/93/282294493.db2.gz	QVQJYPNCDDBHAF-OAHLLOKOSA-N	2	0	262.401	1.000	50	10		CCCARP
CC(C)(N=NC(C)(C)C1=[NH+]CCN1)C1=[NH+]CCN1	ZINC000242548849	389202307	/nfs/dbraw/zinc/20/23/07/389202307.db2.gz	LWMFAFLIWMPZSX-UHFFFAOYSA-N	2	0	250.350	0.999	50	10		CCCARP
CN(C)c1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1	ZINC000019796280	276884972	/nfs/dbraw/zinc/88/49/72/276884972.db2.gz	QVQJYPNCDDBHAF-HNNXBMFYSA-N	2	0	262.401	1.000	50	10		CCCARP
Cc1nc[nH]c1CSCC[NH2+]C[C@@]1(O)CCC[NH2+]C1	ZINC000072433683	388963849	/nfs/dbraw/zinc/96/38/49/388963849.db2.gz	KIOVYXVBRMNHGT-CYBMUJFWSA-N	2	0	284.429	0.655	50	10		CCCARP
N#[N+]CC(=O)C1[C@@H]2C=C[C@@H]3C(C(=O)C[N+]#N)[C@H]4C=C[C@@H]1[C@H]4[C@@H]23	ZINC000257345472	389269275	/nfs/dbraw/zinc/26/92/75/389269275.db2.gz	OSMYTTDEZNBHNO-CEJKQMAASA-N	2	0	294.314	0.822	50	10		CCCARP
N#[N+]CC(=O)[C@H]1[C@@H]2C=C[C@@H]3[C@@H](C(=O)C[N+]#N)[C@@H]4C=C[C@H]1[C@H]4[C@@H]23	ZINC000257345473	389269805	/nfs/dbraw/zinc/26/98/05/389269805.db2.gz	OSMYTTDEZNBHNO-OOBBNHCTSA-N	2	0	294.314	0.822	50	10		CCCARP
CN1CCc2cc([C@H](C[NH3+])N3CC[NH+](C)CC3)ccc21	ZINC000034936244	348152852	/nfs/dbraw/zinc/15/28/52/348152852.db2.gz	UDXHGOKSBPIKSW-INIZCTEOSA-N	2	0	274.412	0.926	50	10		CCCARP
CC(C)(/N=N/C(C)(C)C1=[NH+]CCN1)C1=[NH+]CCN1	ZINC000003954674	347988206	/nfs/dbraw/zinc/98/82/06/347988206.db2.gz	LWMFAFLIWMPZSX-ISLYRVAYSA-N	2	0	250.350	0.999	50	10	in-vitro	CCCARP
CN1CCc2cc([C@@H](C[NH3+])N3CC[NH+](C)CC3)ccc21	ZINC000034936245	348152819	/nfs/dbraw/zinc/15/28/19/348152819.db2.gz	UDXHGOKSBPIKSW-MRXNPFEDSA-N	2	0	274.412	0.926	50	10		CCCARP