smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)cc(OC)c1OC	ZINC000218599087	569883473	/nfs/dbraw/zinc/88/34/73/569883473.db2.gz	QXCOFZQENAXMHJ-INIZCTEOSA-N	-1	1	453.495	2.262	50	70		JEIAMM
COc1cc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)cc(OC)c1OC	ZINC000218599161	569883482	/nfs/dbraw/zinc/88/34/82/569883482.db2.gz	QXCOFZQENAXMHJ-MRXNPFEDSA-N	-1	1	453.495	2.262	50	70		JEIAMM
COc1cc(OC)c([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)cc1OC	ZINC000218552141	569883418	/nfs/dbraw/zinc/88/34/18/569883418.db2.gz	SPNBRAOQXPUYIS-INIZCTEOSA-N	-1	1	453.495	2.262	50	70		JEIAMM
O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCn2c(nnc2C(F)(F)F)C1	ZINC000218246438	569883161	/nfs/dbraw/zinc/88/31/61/569883161.db2.gz	XSWMFZYYAJFVHU-UHFFFAOYSA-N	-1	1	490.486	2.294	50	70		JEIAMM
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)c(OC)c1OC	ZINC000218608827	569883506	/nfs/dbraw/zinc/88/35/06/569883506.db2.gz	HPECRPPPAMTTJB-INIZCTEOSA-N	-1	1	453.495	2.262	50	70		JEIAMM
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)c(OC)c1OC	ZINC000218608898	569883470	/nfs/dbraw/zinc/88/34/70/569883470.db2.gz	HPECRPPPAMTTJB-MRXNPFEDSA-N	-1	1	453.495	2.262	50	70		JEIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCCc2ccc(OC)cc2)cc1	ZINC000218147264	569882958	/nfs/dbraw/zinc/88/29/58/569882958.db2.gz	WSOWDXGKMCTWPY-HXUWFJFHSA-N	-1	1	467.522	2.446	50	70		JEIAMM
COc1cc(OC)c([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)cc1OC	ZINC000218552214	569883416	/nfs/dbraw/zinc/88/34/16/569883416.db2.gz	SPNBRAOQXPUYIS-MRXNPFEDSA-N	-1	1	453.495	2.262	50	70		JEIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCCc2ccc(OC)cc2)cc1	ZINC000218147350	569882975	/nfs/dbraw/zinc/88/29/75/569882975.db2.gz	WSOWDXGKMCTWPY-FQEVSTJZSA-N	-1	1	467.522	2.446	50	70		JEIAMM