smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC2CC[NH+](C)CC2)[C@@H]1O	ZINC000952844795	809005889	/nfs/dbraw/zinc/00/58/89/809005889.db2.gz	JKPGFJMLIWMYMB-DGXTUMSLSA-N	1	3	322.409	-0.099	40	0	biogenic,in-vitro	DBABHO
C[N@H+](CC1CCN(Cc2cnc[nH]2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585291150	374881722	/nfs/dbraw/zinc/88/17/22/374881722.db2.gz	LHCCDWSTQZNFJG-OAGGEKHMSA-N	1	3	324.425	-0.326	40	0		DBABHO
C[N@@H+](CC1CCN(Cc2cnc[nH]2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585291150	374881727	/nfs/dbraw/zinc/88/17/27/374881727.db2.gz	LHCCDWSTQZNFJG-OAGGEKHMSA-N	1	3	324.425	-0.326	40	0		DBABHO
O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N[C@H]1CN1CCCCC1	ZINC000001559226	296387481	/nfs/dbraw/zinc/38/74/81/296387481.db2.gz	CFCHHANUXWEBFD-KBPBESRZSA-N	1	3	308.426	-0.059	40	0		DBABHO
O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N[C@@H]1CN1CCCCC1	ZINC000001559229	296393833	/nfs/dbraw/zinc/39/38/33/296393833.db2.gz	CFCHHANUXWEBFD-ZIAGYGMSSA-N	1	3	308.426	-0.059	40	0		DBABHO
C[NH+]1CCC(N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3)[C@H]2O)CC1	ZINC000952844893	809006374	/nfs/dbraw/zinc/00/63/74/809006374.db2.gz	RMACTMYNCSPJNF-ARILJUKYSA-N	1	3	308.382	-0.407	40	0	biogenic,in-vitro	DBABHO