smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)N1CC[NH+](CCn2ccnc2)CC1	ZINC000161346745	230183808	/nfs/dbraw/zinc/18/38/08/230183808.db2.gz	VQLRSKLTVXRZBJ-UHFFFAOYSA-N	1	2	259.335	-1.296	20	70		CAIDLO
NC(=O)[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O	ZINC000160873314	230184979	/nfs/dbraw/zinc/18/49/79/230184979.db2.gz	WMJKEDAUHSNNHS-VHSXEESVSA-N	1	2	282.344	-1.422	20	70		CAIDLO
Cn1c2[nH]c(C[N@@H+]3CCC[C@@H]3CO)nc2c(=O)n(C)c1=O	ZINC000161495052	373009553	/nfs/dbraw/zinc/00/95/53/373009553.db2.gz	IVSIQUHPTHEDCI-MRVPVSSYSA-N	1	2	293.327	-1.083	20	70		CAIDLO
Cn1c2[nH]c(C[N@H+]3CCC[C@@H]3CO)nc2c(=O)n(C)c1=O	ZINC000161495052	373009558	/nfs/dbraw/zinc/00/95/58/373009558.db2.gz	IVSIQUHPTHEDCI-MRVPVSSYSA-N	1	2	293.327	-1.083	20	70		CAIDLO
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O	ZINC000160873196	230183498	/nfs/dbraw/zinc/18/34/98/230183498.db2.gz	WMJKEDAUHSNNHS-UWVGGRQHSA-N	1	2	282.344	-1.422	20	70		CAIDLO
Cn1cc[nH+]c1CN1CCN(S(N)(=O)=O)CC1	ZINC000160743412	230184701	/nfs/dbraw/zinc/18/47/01/230184701.db2.gz	UKNDCDWVEMVIMS-UHFFFAOYSA-N	1	2	259.335	-1.259	20	70		CAIDLO
CN(C)c1nc(N)nc(C[N@H+](C)CC(C)(CO)CO)n1	ZINC000159573317	529802896	/nfs/dbraw/zinc/80/28/96/529802896.db2.gz	PDHHULDNHFXGJX-UHFFFAOYSA-N	1	2	284.364	-1.058	20	70		CAIDLO
CN(C)c1nc(N)nc(C[N@@H+](C)CC(C)(CO)CO)n1	ZINC000159573317	529802897	/nfs/dbraw/zinc/80/28/97/529802897.db2.gz	PDHHULDNHFXGJX-UHFFFAOYSA-N	1	2	284.364	-1.058	20	70		CAIDLO
NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O	ZINC000160873057	230183610	/nfs/dbraw/zinc/18/36/10/230183610.db2.gz	WMJKEDAUHSNNHS-NXEZZACHSA-N	1	2	282.344	-1.422	20	70		CAIDLO
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O	ZINC000160872934	534423482	/nfs/dbraw/zinc/42/34/82/534423482.db2.gz	WMJKEDAUHSNNHS-ZJUUUORDSA-N	1	2	282.344	-1.422	20	70		CAIDLO