smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cn(CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)c[nH+]1	ZINC000159801234	372181510	/nfs/dbraw/zinc/18/15/10/372181510.db2.gz	GCLZOZYHHOZPMQ-KRWDZBQOSA-N	2	2	269.392	3.153	50	70		CGIALP
c1cn(CC[N@H+]2CCC[C@H](c3ccccc3)CC2)c[nH+]1	ZINC000159801234	372181514	/nfs/dbraw/zinc/18/15/14/372181514.db2.gz	GCLZOZYHHOZPMQ-KRWDZBQOSA-N	2	2	269.392	3.153	50	70		CGIALP
COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1	ZINC000160904780	372287620	/nfs/dbraw/zinc/28/76/20/372287620.db2.gz	STJSPPTWUKQNDG-INIZCTEOSA-N	2	2	297.402	3.024	50	70		CGIALP
COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1	ZINC000160904780	372287632	/nfs/dbraw/zinc/28/76/32/372287632.db2.gz	STJSPPTWUKQNDG-INIZCTEOSA-N	2	2	297.402	3.024	50	70		CGIALP
COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1	ZINC000160904641	372288048	/nfs/dbraw/zinc/28/80/48/372288048.db2.gz	STJSPPTWUKQNDG-MRXNPFEDSA-N	2	2	297.402	3.024	50	70		CGIALP
COc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1	ZINC000160904641	372288054	/nfs/dbraw/zinc/28/80/54/372288054.db2.gz	STJSPPTWUKQNDG-MRXNPFEDSA-N	2	2	297.402	3.024	50	70		CGIALP
c1cn(CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c[nH+]1	ZINC000159801135	275072537	/nfs/dbraw/zinc/07/25/37/275072537.db2.gz	GCLZOZYHHOZPMQ-QGZVFWFLSA-N	2	2	269.392	3.153	50	70		CGIALP
c1cn(CC[N@H+]2CCC[C@@H](c3ccccc3)CC2)c[nH+]1	ZINC000159801135	275072538	/nfs/dbraw/zinc/07/25/38/275072538.db2.gz	GCLZOZYHHOZPMQ-QGZVFWFLSA-N	2	2	269.392	3.153	50	70		CGIALP
CC(C)n1cc[nH+]c1CN(C)CCC[NH+]1CCCCCC1	ZINC000218286051	278134564	/nfs/dbraw/zinc/13/45/64/278134564.db2.gz	VHXILFTVTQGOHV-UHFFFAOYSA-N	2	2	292.471	3.162	50	70		CGIALP