smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(OC)cc1	ZINC000020503935	291103314	/nfs/dbraw/zinc/10/33/14/291103314.db2.gz	FVWVBVQZMDZFPB-OKZBNKHCSA-N	2	0	391.537	1.249	40	30	biogenic,in-vitro	GDEBRP
C[NH+](C)C1CCC(NC2=CC(=O)C(NC3CCC([NH+](C)C)CC3)=CC2=O)CC1	ZINC000001614483	206386901	/nfs/dbraw/zinc/38/69/01/206386901.db2.gz	YEWDZHSIZNEQGG-UHFFFAOYSA-N	2	0	388.556	1.831	40	30		GDEBRP
O=C(CCCCCCC(=O)C[n+]1ccccc1CO)C[n+]1ccccc1CO	ZINC000005106216	526422243	/nfs/dbraw/zinc/42/22/43/526422243.db2.gz	AGNFEHZCLYEWQJ-UHFFFAOYSA-N	2	0	386.492	1.425	40	30		GDEBRP
C[NH+](C)CCCNC1=C(Cl)C(=O)C(NCCC[NH+](C)C)=C(Cl)C1=O	ZINC000001726019	209337307	/nfs/dbraw/zinc/33/73/07/209337307.db2.gz	AORHTVYEVDVVNM-UHFFFAOYSA-N	2	0	377.316	1.122	40	30		GDEBRP
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCN(C)CC3)CCC[C@H]2O)cc1	ZINC000015672090	291103309	/nfs/dbraw/zinc/10/33/09/291103309.db2.gz	PGCHXSIZFNGNHB-NHCUHLMSSA-N	2	0	385.508	1.348	40	30	biogenic,in-vitro	GDEBRP