smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@@H](S(=O)(=O)[O-])[NH2+][C@@H]1C(=O)[O-]	ZINC000012501791	177338691	/nfs/dbraw/zinc/33/86/91/177338691.db2.gz	PZCKFQRRNSACOM-LMVFSUKVSA-N	-1	2	209.223	-0.717	1	0	in-vivo	BBAFLM
CC(C)[NH2+]CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000029060278	167100823	/nfs/dbraw/zinc/10/08/23/167100823.db2.gz	XUKNZUJYUAFJQJ-UHFFFAOYSA-N	-1	2	247.124	-0.334	1	0	in-vivo	BBAFLM
CC(C)[NH2+]CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000029060278	167100814	/nfs/dbraw/zinc/10/08/14/167100814.db2.gz	XUKNZUJYUAFJQJ-UHFFFAOYSA-N	-1	2	247.124	-0.334	1	0	in-vivo	BBAFLM
CCC[NH2+]CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000029061589	169256639	/nfs/dbraw/zinc/25/66/39/169256639.db2.gz	YFFJUBPLIKXHAO-UHFFFAOYSA-N	-1	2	247.124	-0.333	1	0	in-vivo	BBAFLM
CCC[NH2+]CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000029061589	169256636	/nfs/dbraw/zinc/25/66/36/169256636.db2.gz	YFFJUBPLIKXHAO-UHFFFAOYSA-N	-1	2	247.124	-0.333	1	0	in-vivo	BBAFLM
O=c1ccc(C[P@](=O)([O-])O)cn1O	ZINC000072108177	183000108	/nfs/dbraw/zinc/00/01/08/183000108.db2.gz	CZCVFYATDIEMPL-UHFFFAOYSA-N	-1	2	205.106	-0.237	1	0		BBAFLM
O=C([O-])COCCOCCOC(=O)O	ZINC000086862475	385054432	/nfs/dbraw/zinc/05/44/32/385054432.db2.gz	XZVNZYZZRYBAAX-UHFFFAOYSA-N	-1	2	208.166	-0.201	2	0		BBAFLM