smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000095592004	185014202	/nfs/dbraw/zinc/01/42/02/185014202.db2.gz	TVTQXNKRCUTKNG-UHFFFAOYSA-O	-3	2	285.153	-0.523	1	0		CBAFLL
O=P([O-])(O)C(N1CCSCC1)[P@](=O)([O-])O	ZINC000005848326	170146937	/nfs/dbraw/zinc/14/69/37/170146937.db2.gz	RZULBGMWKROXRP-UHFFFAOYSA-N	-2	2	277.175	-0.326	1	0		CBAFLL
O=P([O-])(O)C(N1CCSCC1)[P@@](=O)([O-])O	ZINC000005848326	170146938	/nfs/dbraw/zinc/14/69/38/170146938.db2.gz	RZULBGMWKROXRP-UHFFFAOYSA-N	-2	2	277.175	-0.326	1	0		CBAFLL
C[C@@H](N[P@@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000006032463	170169707	/nfs/dbraw/zinc/16/97/07/170169707.db2.gz	UGGHNDGDVCUWQX-RITPCOANSA-N	-2	2	266.190	-0.867	1	0		CBAFLL
C[C@@H](N[P@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000006032463	170169709	/nfs/dbraw/zinc/16/97/09/170169709.db2.gz	UGGHNDGDVCUWQX-RITPCOANSA-N	-2	2	266.190	-0.867	1	0		CBAFLL
Nc1ccccc1CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000001911383	581100754	/nfs/dbraw/zinc/10/07/54/581100754.db2.gz	VJXYJONFUZXZJZ-UHFFFAOYSA-N	-2	2	297.140	-0.187	1	0	in-vivo	CBAFLL
Nc1ccccc1CC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000001911383	581100755	/nfs/dbraw/zinc/10/07/55/581100755.db2.gz	VJXYJONFUZXZJZ-UHFFFAOYSA-N	-2	2	297.140	-0.187	1	0	in-vivo	CBAFLL
O=P([O-])(O)C(CSCCO)[P@@](=O)([O-])O	ZINC000096923788	185130635	/nfs/dbraw/zinc/13/06/35/185130635.db2.gz	IXNDRTCYZCBFNR-UHFFFAOYSA-N	-2	2	266.148	-0.607	1	0		CBAFLL
O=P([O-])(O)C(CSCCO)[P@](=O)([O-])O	ZINC000096923788	185130636	/nfs/dbraw/zinc/13/06/36/185130636.db2.gz	IXNDRTCYZCBFNR-UHFFFAOYSA-N	-2	2	266.148	-0.607	1	0		CBAFLL