smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@H]2C[C@H]([NH3+])[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006069512	181310981	/nfs/dbraw/zinc/31/09/81/181310981.db2.gz	BQZMHQZNZNBJNF-XLPZGREQSA-N	0	2	321.226	-1.431	1	0	in-vivo	DAAFLN
Cc1cn([C@H]2C[C@H]([NH3+])[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006069512	181310983	/nfs/dbraw/zinc/31/09/83/181310983.db2.gz	BQZMHQZNZNBJNF-XLPZGREQSA-N	0	2	321.226	-1.431	1	0	in-vivo	DAAFLN
COC(=O)C=Cc1nn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000040520126	183090366	/nfs/dbraw/zinc/09/03/66/183090366.db2.gz	YJLYYJQICHEART-BKTAMIDGSA-N	0	2	313.266	-2.242	1	0		DAAFLN
N=C1NC(=[NH2+])NC(=[NH2+])[C@H]2[C@H]1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000058512224	184121001	/nfs/dbraw/zinc/12/10/01/184121001.db2.gz	IBEAYMSZGGCQOU-YUHANNHFSA-N	0	2	311.302	-3.831	1	0		DAAFLN
O=C([O-])c1c[nH+]ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000032296794	560089222	/nfs/dbraw/zinc/08/92/22/560089222.db2.gz	LRAYZXVBPSCDCZ-WSOSLHDDSA-N	0	2	301.251	-2.042	1	0	biogenic,in-vitro	DAAFLN
COC(=O)C=Cc1nn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000040520124	183090020	/nfs/dbraw/zinc/09/00/20/183090020.db2.gz	YJLYYJQICHEART-LDGXEWFHSA-N	0	2	313.266	-2.242	1	0		DAAFLN
O=C([O-])c1[nH]c2c(nc[nH]c2=O)c1[C@@H]1[NH2+][C@H](CO)[C@@H](O)[C@H]1O	ZINC000062178725	184212041	/nfs/dbraw/zinc/21/20/41/184212041.db2.gz	IXRWPGROSUVTPI-XFTKTDKTSA-N	0	2	310.266	-2.324	1	0		DAAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@H+](C)CC(N)=O)S[C@H]12	ZINC000003805101	181046533	/nfs/dbraw/zinc/04/65/33/181046533.db2.gz	HKHRWODVCOCCIC-ROXVQFJHSA-N	0	2	315.351	-1.388	1	0		DAAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@@H+](C)CC(N)=O)S[C@H]12	ZINC000003805101	181046536	/nfs/dbraw/zinc/04/65/36/181046536.db2.gz	HKHRWODVCOCCIC-ROXVQFJHSA-N	0	2	315.351	-1.388	1	0		DAAFLN