smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCN(CCO)c1cc2c(cc1[N+](=O)[O-])CNC2	ZINC001163837254	819859395	/nfs/dbraw/zinc/85/93/95/819859395.db2.gz	XAOWALSIPACBJM-UHFFFAOYSA-N	1	3	266.301	-0.045	20	10		CBCDHO
CN(C)c1ccc([C@H](N)CNC(=O)COCC[NH3+])cc1	ZINC000832267022	583020226	/nfs/dbraw/zinc/02/02/26/583020226.db2.gz	LMKJPSMXLUYSRO-CYBMUJFWSA-N	1	3	280.372	-0.156	20	10		CBCDHO
CO[C@@H](CN)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000884010328	584355428	/nfs/dbraw/zinc/35/54/28/584355428.db2.gz	ZVYDZYUFHDYOMH-OLZOCXBDSA-N	1	3	280.372	-0.158	20	10		CBCDHO
NCC(C[NH3+])NCc1ccc(N2CCOCC2)cc1	ZINC000923357202	658227566	/nfs/dbraw/zinc/22/75/66/658227566.db2.gz	UITJTUQPNHKFBN-UHFFFAOYSA-N	1	3	264.373	-0.101	20	10		CBCDHO
O=C(NCc1ccccc1O)[C@H]1C[NH2+]CC12CNC2	ZINC001219923392	824916216	/nfs/dbraw/zinc/91/62/16/824916216.db2.gz	KVHRRZFCPMHKTJ-LLVKDONJSA-N	1	3	261.325	-0.183	20	10		CBCDHO
CO[C@@H](CN)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000884010329	584355365	/nfs/dbraw/zinc/35/53/65/584355365.db2.gz	ZVYDZYUFHDYOMH-STQMWFEESA-N	1	3	280.372	-0.158	20	10		CBCDHO
CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C2CNC2)cc1	ZINC000923633882	658366955	/nfs/dbraw/zinc/36/69/55/658366955.db2.gz	ITBQYVBVVOLQKA-CYBMUJFWSA-N	1	3	298.412	-0.356	20	10		CBCDHO
CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C2CNC2)cc1	ZINC000923633887	658365920	/nfs/dbraw/zinc/36/59/20/658365920.db2.gz	ITBQYVBVVOLQKA-ZDUSSCGKSA-N	1	3	298.412	-0.356	20	10		CBCDHO
O=C(NCc1ccccc1O)[C@@H]1C[NH2+]CC12CNC2	ZINC001219923393	824916009	/nfs/dbraw/zinc/91/60/09/824916009.db2.gz	KVHRRZFCPMHKTJ-NSHDSACASA-N	1	3	261.325	-0.183	20	10		CBCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)COCC[NH3+])cc1	ZINC000832267023	583020040	/nfs/dbraw/zinc/02/00/40/583020040.db2.gz	LMKJPSMXLUYSRO-ZDUSSCGKSA-N	1	3	280.372	-0.156	20	10		CBCDHO