smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCC2)C1	ZINC000161194856	174880905	/nfs/dbraw/zinc/88/09/05/174880905.db2.gz	JYLBJCPYRIXGRG-MCIONIFRSA-N	2	2	240.391	2.018	10	70		BEIELP
C[N@@H+]1CC[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)C1	ZINC000216794647	592081216	/nfs/dbraw/zinc/08/12/16/592081216.db2.gz	PAPZWYHSHHXSSP-CGAUPDFVSA-N	2	2	248.414	2.352	10	70		BEIELP
C[N@H+]1CC[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)C1	ZINC000216794647	592081218	/nfs/dbraw/zinc/08/12/18/592081218.db2.gz	PAPZWYHSHHXSSP-CGAUPDFVSA-N	2	2	248.414	2.352	10	70		BEIELP
CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1	ZINC000218409733	134254660	/nfs/dbraw/zinc/25/46/60/134254660.db2.gz	QKUZXINKXBMKQA-STQMWFEESA-N	2	2	212.381	2.482	10	70		BEIELP
CC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1	ZINC000218409733	134254661	/nfs/dbraw/zinc/25/46/61/134254661.db2.gz	QKUZXINKXBMKQA-STQMWFEESA-N	2	2	212.381	2.482	10	70		BEIELP
C[N@@H+]1CC[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)C1	ZINC000216794687	592081067	/nfs/dbraw/zinc/08/10/67/592081067.db2.gz	PAPZWYHSHHXSSP-BAPHQMLMSA-N	2	2	248.414	2.352	10	70		BEIELP
C[N@H+]1CC[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)C1	ZINC000216794687	592081069	/nfs/dbraw/zinc/08/10/69/592081069.db2.gz	PAPZWYHSHHXSSP-BAPHQMLMSA-N	2	2	248.414	2.352	10	70		BEIELP
CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C)CC1	ZINC000216861705	384429653	/nfs/dbraw/zinc/42/96/53/384429653.db2.gz	AULLSDBXLWOAOU-OLZOCXBDSA-N	2	2	212.381	2.482	10	70		BEIELP
CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C)CC1	ZINC000216861705	384429660	/nfs/dbraw/zinc/42/96/60/384429660.db2.gz	AULLSDBXLWOAOU-OLZOCXBDSA-N	2	2	212.381	2.482	10	70		BEIELP
CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1	ZINC000218409651	134254675	/nfs/dbraw/zinc/25/46/75/134254675.db2.gz	QKUZXINKXBMKQA-OLZOCXBDSA-N	2	2	212.381	2.482	10	70		BEIELP
CC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1	ZINC000218409651	134254676	/nfs/dbraw/zinc/25/46/76/134254676.db2.gz	QKUZXINKXBMKQA-OLZOCXBDSA-N	2	2	212.381	2.482	10	70		BEIELP