smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1nc(Cl)c(C=N[O-])c(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)n1	ZINC001164941585	721940444	/nfs/dbraw/zinc/94/04/44/721940444.db2.gz	IRLVPYVLCRANGJ-HUUCEWRRSA-N	-1	3	438.941	2.354	20	30		IEEDHM
N#Cc1c(N)n(-c2ccccc2)nc1CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000030335635	259085380	/nfs/dbraw/zinc/08/53/80/259085380.db2.gz	CCHAOSPNXXFZIG-UHFFFAOYSA-N	-1	3	426.458	2.145	20	30		IEEDHM
CSc1nc(Cl)c(C=N[O-])c(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1	ZINC001164941586	721940350	/nfs/dbraw/zinc/94/03/50/721940350.db2.gz	IRLVPYVLCRANGJ-LSDHHAIUSA-N	-1	3	438.941	2.354	20	30		IEEDHM
CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1	ZINC001164941584	721940540	/nfs/dbraw/zinc/94/05/40/721940540.db2.gz	IRLVPYVLCRANGJ-GJZGRUSLSA-N	-1	3	438.941	2.354	20	30		IEEDHM
CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)n1	ZINC001164941581	721940310	/nfs/dbraw/zinc/94/03/10/721940310.db2.gz	IRLVPYVLCRANGJ-CABCVRRESA-N	-1	3	438.941	2.354	20	30		IEEDHM