smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC(P(=O)([O-])O)[P@](=O)([O-])O)c1ccc(Br)cc1	ZINC000169351252	206254153	/nfs/dbraw/zinc/25/41/53/206254153.db2.gz	DZEUVTPRJSYTQV-UHFFFAOYSA-N	-2	2	374.020	0.818	10	0		FCAELL
O=C(NC(P(=O)([O-])O)[P@@](=O)([O-])O)c1ccc(Br)cc1	ZINC000169351252	206254158	/nfs/dbraw/zinc/25/41/58/206254158.db2.gz	DZEUVTPRJSYTQV-UHFFFAOYSA-N	-2	2	374.020	0.818	10	0		FCAELL
CS(=O)(=O)Nc1nnc(NC(=O)c2cnc(OCC3CC3)cn2)s1	ZINC000284978199	213260842	/nfs/dbraw/zinc/26/08/42/213260842.db2.gz	AKYNZUYDDNZVML-UHFFFAOYSA-N	-2	2	370.416	0.741	10	0		FCAELL
COc1cccc(S(O)=CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1	ZINC000579116596	491691340	/nfs/dbraw/zinc/69/13/40/491691340.db2.gz	DZLVGSHROTYDBG-CANCMXDXSA-N	-2	2	363.443	0.708	10	0		FCAELL
COc1ccc(-n2cc([O-])c(C(=O)NC3(c4nn[nH]n4)CCC3)n2)cc1	ZINC001176726312	1206319359	/nfs/dbraw/zinc/31/93/59/1206319359.db2.gz	PDUGOFKXILSLGA-UHFFFAOYSA-N	-2	2	355.358	0.909	10	0		FCAELL
COc1cccc(S(O)=CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1	ZINC000579116597	491691258	/nfs/dbraw/zinc/69/12/58/491691258.db2.gz	DZLVGSHROTYDBG-SHZVTRLKSA-N	-2	2	363.443	0.708	10	0		FCAELL
O=P([O-])(O)C(NS(=O)(=O)c1ccc(Cl)cc1)[P@](=O)([O-])O	ZINC000034237344	208102129	/nfs/dbraw/zinc/10/21/29/208102129.db2.gz	JLXXIHBBQZRECY-UHFFFAOYSA-N	-2	2	365.624	0.257	10	0		FCAELL
O=P([O-])(O)C(NS(=O)(=O)c1ccc(Cl)cc1)[P@@](=O)([O-])O	ZINC000034237344	208102135	/nfs/dbraw/zinc/10/21/35/208102135.db2.gz	JLXXIHBBQZRECY-UHFFFAOYSA-N	-2	2	365.624	0.257	10	0		FCAELL
COc1cccc(S(O)=CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1	ZINC000579116599	491691385	/nfs/dbraw/zinc/69/13/85/491691385.db2.gz	DZLVGSHROTYDBG-ZJWNCGCPSA-N	-2	2	363.443	0.708	10	0		FCAELL
COc1cccc(S(O)=CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1	ZINC000579116598	491691335	/nfs/dbraw/zinc/69/13/35/491691335.db2.gz	DZLVGSHROTYDBG-YMXBGEKHSA-N	-2	2	363.443	0.708	10	0		FCAELL
O=C([O-])[C@@]12CN(CC3=Nc4ccccc4S(=O)(=O)N3)C[C@H]1COCC2	ZINC001332675967	873612711	/nfs/dbraw/zinc/61/27/11/873612711.db2.gz	MFXRVYVNUKTJDJ-ZBEGNZNMSA-N	-2	2	365.411	0.432	10	0		FCAELL