smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(NC(=O)[C@H]2CCC(N)=[NH+]2)cc1C(=O)NCCC(N)=[NH2+]	ZINC000001617765	180879123	/nfs/dbraw/zinc/87/91/23/180879123.db2.gz	JUMUOZAQBGYHOE-SECBINFHSA-N	2	0	319.369	-0.461	1	0		DBAFRP
CC[NH2+]CC[C@@H](O)C[NH2+]CCCC[NH2+]C[C@@H](O)CC[NH2+]CC	ZINC000013914464	181909109	/nfs/dbraw/zinc/90/91/09/181909109.db2.gz	AFXLPCNTPZQBIC-IYBDPMFKSA-N	4	0	318.506	-0.333	1	0		DBAFRP
CC[NH2+]CC[C@H](O)C[NH2+]CCCC[NH2+]C[C@@H](O)CC[NH2+]CC	ZINC000003982713	181059436	/nfs/dbraw/zinc/05/94/36/181059436.db2.gz	AFXLPCNTPZQBIC-HOTGVXAUSA-N	4	0	318.506	-0.333	1	0		DBAFRP
[NH3+]CC[C@H](C[NH3+])NCc1ccc(CN[C@@H](C[NH3+])CC[NH3+])cc1	ZINC000022930924	182342150	/nfs/dbraw/zinc/34/21/50/182342150.db2.gz	BFAMLUAYNATHFN-HZPDHXFCSA-N	4	0	308.474	-0.782	1	0		DBAFRP
C[NH2+]C[C@@H](O)C[NH2+]CCCCCCC[NH2+]C[C@H](O)C[NH2+]C	ZINC000026482089	182442856	/nfs/dbraw/zinc/44/28/56/182442856.db2.gz	MCGNPWWZWRXODE-HUUCEWRRSA-N	4	0	304.479	-0.723	1	0		DBAFRP
[NH3+]CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1	ZINC000027079855	182462495	/nfs/dbraw/zinc/46/24/95/182462495.db2.gz	WMTNUNPJDGDVJZ-GJZGRUSLSA-N	2	0	318.421	-0.069	1	0		DBAFRP
CC[NH2+]CC[C@@H](O)C[NH2+]CCCC[NH2+]C[C@H](O)CC[NH2+]CC	ZINC000003981704	181059415	/nfs/dbraw/zinc/05/94/15/181059415.db2.gz	AFXLPCNTPZQBIC-HZPDHXFCSA-N	4	0	318.506	-0.333	1	0		DBAFRP
C[NH2+]C[C@@H](O)C[NH2+]CCCCCCC[NH2+]C[C@@H](O)C[NH2+]C	ZINC000026482072	182442997	/nfs/dbraw/zinc/44/29/97/182442997.db2.gz	MCGNPWWZWRXODE-GASCZTMLSA-N	4	0	304.479	-0.723	1	0		DBAFRP
Cn1cc(NC(=O)[C@@H]2CCC(N)=[NH+]2)cc1C(=O)NCCC(N)=[NH2+]	ZINC000001617766	180879265	/nfs/dbraw/zinc/87/92/65/180879265.db2.gz	JUMUOZAQBGYHOE-VIFPVBQESA-N	2	0	319.369	-0.461	1	0		DBAFRP
NC(=[NH2+])NCc1ccc([C@H]2C[NH2+]CCNCC[NH2+]CCN2)cc1	ZINC000040943153	183150051	/nfs/dbraw/zinc/15/00/51/183150051.db2.gz	RGRAPLXPFJYDDH-OAHLLOKOSA-N	3	0	319.457	-0.917	1	0		DBAFRP
[NH3+]CC[C@@H](C[NH3+])NCc1ccc(CN[C@H](C[NH3+])CC[NH3+])cc1	ZINC000022930927	182342741	/nfs/dbraw/zinc/34/27/41/182342741.db2.gz	BFAMLUAYNATHFN-HOTGVXAUSA-N	4	0	308.474	-0.782	1	0		DBAFRP
NC(=[NH2+])NCc1ccc([C@@H]2C[NH2+]CCNCC[NH2+]CCN2)cc1	ZINC000040943152	183149725	/nfs/dbraw/zinc/14/97/25/183149725.db2.gz	RGRAPLXPFJYDDH-HNNXBMFYSA-N	3	0	319.457	-0.917	1	0		DBAFRP
NC(=O)c1ccc[n+](CCCC[n+]2cccc(C(N)=O)c2)c1	ZINC000003623129	181042307	/nfs/dbraw/zinc/04/23/07/181042307.db2.gz	MZVFSRSMUOVAGM-UHFFFAOYSA-P	2	0	300.362	-0.060	1	0		DBAFRP
[NH3+]CC[C@H](C[NH3+])NCc1ccc(CN[C@H](C[NH3+])CC[NH3+])cc1	ZINC000022930930	182341958	/nfs/dbraw/zinc/34/19/58/182341958.db2.gz	BFAMLUAYNATHFN-IYBDPMFKSA-N	4	0	308.474	-0.782	1	0		DBAFRP