smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869324	560190328	/nfs/dbraw/zinc/19/03/28/560190328.db2.gz	SKCBPEVYGOQGJN-NEEWWZBLSA-N	0	2	229.125	-2.499	1	0	in-vitro	BAAFLN
[NH3+][C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869324	560190326	/nfs/dbraw/zinc/19/03/26/560190326.db2.gz	SKCBPEVYGOQGJN-NEEWWZBLSA-N	0	2	229.125	-2.499	1	0	in-vitro	BAAFLN
[NH3+][C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869326	560190408	/nfs/dbraw/zinc/19/04/08/560190408.db2.gz	SKCBPEVYGOQGJN-SKNVOMKLSA-N	0	2	229.125	-2.499	1	0	in-vitro	BAAFLN
[NH3+][C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869326	560190407	/nfs/dbraw/zinc/19/04/07/560190407.db2.gz	SKCBPEVYGOQGJN-SKNVOMKLSA-N	0	2	229.125	-2.499	1	0	in-vitro	BAAFLN
Cc1nn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000005116039	180393532	/nfs/dbraw/zinc/39/35/32/180393532.db2.gz	LXHOFEUVCQUXRZ-RRKCRQDMSA-N	0	2	243.219	-2.119	1	0	in-vitro	BAAFLN
Cc1nn(COC(CO)CO)c(=O)[nH]c1=O	ZINC000034463101	180388920	/nfs/dbraw/zinc/38/89/20/180388920.db2.gz	BRJFBLIIHDTJJQ-UHFFFAOYSA-N	0	2	231.208	-2.433	1	0		BAAFLN
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)o1	ZINC000048999819	183009965	/nfs/dbraw/zinc/00/99/65/183009965.db2.gz	XIRKXQIOPDWGMW-AIHAYLRMSA-N	0	2	234.164	-2.847	1	0		BAAFLN
O=c1cc(O)n(COCCO)c(=O)[nH]1	ZINC000026893537	368320761	/nfs/dbraw/zinc/32/07/61/368320761.db2.gz	PBJRUVDEAHEEMC-UHFFFAOYSA-N	0	2	202.166	-1.791	2	0		BAAFLN
O=c1cc(O)[nH]c(=O)n1COCCO	ZINC000026893537	368320757	/nfs/dbraw/zinc/32/07/57/368320757.db2.gz	PBJRUVDEAHEEMC-UHFFFAOYSA-N	0	2	202.166	-1.791	2	0		BAAFLN
NC(=O)[C@]([NH3+])(O)[C@H](CO)S(=O)(=O)[O-]	ZINC000205436415	347444751	/nfs/dbraw/zinc/44/47/51/347444751.db2.gz	RQLDIZQMRWLGHW-ZAFYKAAXSA-N	0	2	214.199	-3.632	2	0		BAAFLN
NC(=O)[C@]([NH3+])(O)[C@@H](CO)S(=O)(=O)[O-]	ZINC000205436426	347444715	/nfs/dbraw/zinc/44/47/15/347444715.db2.gz	RQLDIZQMRWLGHW-VVJJHMBFSA-N	0	2	214.199	-3.632	2	0		BAAFLN
NC(=O)[C@@]([NH3+])(O)[C@H](CO)S(=O)(=O)[O-]	ZINC000205436442	347444569	/nfs/dbraw/zinc/44/45/69/347444569.db2.gz	RQLDIZQMRWLGHW-OKKQSCSOSA-N	0	2	214.199	-3.632	2	0		BAAFLN
NC(=O)[C@@]([NH3+])(O)[C@@H](CO)S(=O)(=O)[O-]	ZINC000205436456	347444348	/nfs/dbraw/zinc/44/43/48/347444348.db2.gz	RQLDIZQMRWLGHW-FONMRSAGSA-N	0	2	214.199	-3.632	2	0		BAAFLN