smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)NC(=O)C(=CNC34CN5CN(CN(C5)C3)C4)C2=O)c1	ZINC000000996151	570744343	/nfs/dbraw/zinc/74/43/43/570744343.db2.gz	IQHCQDQPEDQEGN-GIDUJCDVSA-N	0	2	382.424	-0.391	50	10		GBCALN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNC(CO)(CO)CO	ZINC000006198216	570325523	/nfs/dbraw/zinc/32/55/23/570325523.db2.gz	HIGOXROPBWWVAN-RIYZIHGNSA-N	0	2	385.376	-0.388	50	10		GBCALN
Cn1c2[nH]c(N=NNc3ccc(S(N)(=O)=O)cc3)nc2c(=O)n(C)c1=O	ZINC000008694806	221049954	/nfs/dbraw/zinc/04/99/54/221049954.db2.gz	AACNXZKQHFYFKZ-UHFFFAOYSA-N	0	2	378.374	-0.282	50	10		GBCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNC34CN5CN(CN(C5)C3)C4)C2=O)c1	ZINC000095108943	136177763	/nfs/dbraw/zinc/17/77/63/136177763.db2.gz	IQHCQDQPEDQEGN-UUASQNMZSA-N	0	2	382.424	-0.391	50	10		GBCALN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNC(CO)(CO)CO	ZINC000100465189	136189209	/nfs/dbraw/zinc/18/92/09/136189209.db2.gz	HIGOXROPBWWVAN-ZSOIEALJSA-N	0	2	385.376	-0.388	50	10		GBCALN