smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=N[N-]c2nc[nH]c2[N+](=O)[O-])C(=O)N1	ZINC000008694195	351328764	/nfs/dbraw/zinc/32/87/64/351328764.db2.gz	MSSVBMJKIRBFNO-UHFFFAOYSA-N	-1	2	267.161	-0.708	50	30		CBEALM
NC(=O)c1ccc(N/N=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000004179724	351316458	/nfs/dbraw/zinc/31/64/58/351316458.db2.gz	CUQBFHGMALUMEO-UHFFFAOYSA-N	-1	2	275.224	-0.240	50	30		CBEALM
NC(=O)c1ccc(N/N=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000004179724	351316462	/nfs/dbraw/zinc/31/64/62/351316462.db2.gz	CUQBFHGMALUMEO-UHFFFAOYSA-N	-1	2	275.224	-0.240	50	30		CBEALM
Cc1ccc(C(=O)[O-])cc1NN=C1C(=O)NC(=O)NC1=O	ZINC000002661621	351310722	/nfs/dbraw/zinc/31/07/22/351310722.db2.gz	IDVIEHWMUUFRIL-UHFFFAOYSA-N	-1	2	290.235	-0.173	50	30		CBEALM
O=C([O-])C[C@H]1SC(N=NC2=NC(=O)SC2)NC1=O	ZINC000006361292	170195140	/nfs/dbraw/zinc/19/51/40/170195140.db2.gz	VRJACZTUBMVSDH-GSVOUGTGSA-N	-1	2	288.310	-0.181	50	30		CBEALM
O=c1nc2nc(NN=Cc3ccc(O)cc3)[n-]nc-2c(=O)[nH]1	ZINC000032623995	171740498	/nfs/dbraw/zinc/74/04/98/171740498.db2.gz	IBKRVZMRMWVJKF-ACAGNQJTSA-N	-1	2	299.250	-0.035	50	30		CBEALM
O=C([O-])C[C@@H]1SC(N=NC2=NC(=O)SC2)NC1=O	ZINC000006361290	170195302	/nfs/dbraw/zinc/19/53/02/170195302.db2.gz	VRJACZTUBMVSDH-VKHMYHEASA-N	-1	2	288.310	-0.181	50	30		CBEALM
O=c1nc2[n-]c(NN=Cc3ccco3)nnc-2c(=O)[nH]1	ZINC000006188214	170181599	/nfs/dbraw/zinc/18/15/99/170181599.db2.gz	VNFNYPYNAMUXGX-NYYWCZLTSA-N	-1	2	273.212	-0.560	50	30		CBEALM
O=c1nc2nc(NN=Cc3ccc(O)cc3)[n-]nc-2c(=O)[nH]1	ZINC000004028130	351316599	/nfs/dbraw/zinc/31/65/99/351316599.db2.gz	IBKRVZMRMWVJKF-WLRTZDKTSA-N	-1	2	299.250	-0.035	50	30		CBEALM
NC1=NC(=O)NC(=O)C1=NNc1ccc(C(=O)[O-])cc1	ZINC000012601454	303360179	/nfs/dbraw/zinc/36/01/79/303360179.db2.gz	WLXNQVQSWJVEAO-FRKPEAEDSA-N	-1	2	275.224	-0.240	50	30		CBEALM
CCOC(=O)NC(=O)C(=N[O-])C(=O)NC(=O)OCC	ZINC000075260989	351666742	/nfs/dbraw/zinc/66/67/42/351666742.db2.gz	BOGOWEYPGUIAOZ-UHFFFAOYSA-N	-1	2	275.217	-0.638	50	30		CBEALM