smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCCCCCC(=O)N[C@H](O)C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000003775146	570699748	/nfs/dbraw/zinc/69/97/48/570699748.db2.gz	IDINUJSAMVOPCM-MRXNPFEDSA-N	3	0	387.529	-1.311	40	0	investigational	GAABRP
NC(=[NH2+])NCCCCCCC(=O)N[C@@H](O)C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000004215557	570791733	/nfs/dbraw/zinc/79/17/33/570791733.db2.gz	IDINUJSAMVOPCM-INIZCTEOSA-N	3	0	387.529	-1.311	40	0	investigational	GAABRP
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@H]1O	ZINC000004824650	204079806	/nfs/dbraw/zinc/07/98/06/204079806.db2.gz	GDNSTKKYGPZUAC-RLHKTWEUSA-N	2	0	394.436	-2.400	40	0		GAABRP
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@H]1O	ZINC000004824652	570409114	/nfs/dbraw/zinc/40/91/14/570409114.db2.gz	GDNSTKKYGPZUAC-GQNZOVQCSA-N	2	0	394.436	-2.400	40	0		GAABRP
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@@H]1O	ZINC000004824654	204079372	/nfs/dbraw/zinc/07/93/72/204079372.db2.gz	GDNSTKKYGPZUAC-QDFKUBBDSA-N	2	0	394.436	-2.400	40	0		GAABRP
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@@H]1O	ZINC000004824655	570409123	/nfs/dbraw/zinc/40/91/23/570409123.db2.gz	GDNSTKKYGPZUAC-LVVRZYSXSA-N	2	0	394.436	-2.400	40	0		GAABRP
C1CNCC[NH2+]CC(C2CNCC[NH2+]CCCNCC[NH2+]C2)CNCC[NH2+]C1	ZINC000022442907	570317159	/nfs/dbraw/zinc/31/71/59/570317159.db2.gz	KQMSYFWGOQIZPD-UHFFFAOYSA-N	4	0	398.644	-2.257	40	0		GAABRP
C[C@@H](O)C[NH+](CCN(CC[NH+](C[C@@H](C)O)C[C@@H](C)O)C[C@H](C)O)C[C@@H](C)O	ZINC000022576466	210416517	/nfs/dbraw/zinc/41/65/17/210416517.db2.gz	LWMWZNOCSCPBCH-UURKPOQGSA-N	2	0	393.569	-1.204	40	0		GAABRP
C[C@@H](O)CN(CC[NH+](C[C@@H](C)O)C[C@@H](C)O)CC[NH+](C[C@@H](C)O)C[C@@H](C)O	ZINC000022576472	207257312	/nfs/dbraw/zinc/25/73/12/207257312.db2.gz	LWMWZNOCSCPBCH-FVVUREQNSA-N	2	0	393.569	-1.204	40	0		GAABRP
C[C@@H](O)C[NH+](CCN(CC[N@H+](C[C@@H](C)O)C[C@H](C)O)C[C@H](C)O)C[C@@H](C)O	ZINC000022576478	570322262	/nfs/dbraw/zinc/32/22/62/570322262.db2.gz	LWMWZNOCSCPBCH-NTZUZEMLSA-N	2	0	393.569	-1.204	40	0		GAABRP
C[C@@H](O)CN(CC[NH+](C[C@@H](C)O)C[C@@H](C)O)CC[N@H+](C[C@@H](C)O)C[C@H](C)O	ZINC000022576485	570322175	/nfs/dbraw/zinc/32/21/75/570322175.db2.gz	LWMWZNOCSCPBCH-NNIGNNQHSA-N	2	0	393.569	-1.204	40	0		GAABRP