smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+](Cc1c(O)ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524731505	569212347	/nfs/dbraw/zinc/21/23/47/569212347.db2.gz	AFEKFINJFJAMSQ-AZUAARDMSA-N	2	2	400.519	3.212	50	10	biogenic	HGCALP
COCC[NH+](Cc1c(O)ccc2ccc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524731505	569212351	/nfs/dbraw/zinc/21/23/51/569212351.db2.gz	AFEKFINJFJAMSQ-AZUAARDMSA-N	2	2	400.519	3.212	50	10	biogenic	HGCALP
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+]CCn3cc[nH+]c3)CC2)c1	ZINC000015001770	558698191	/nfs/dbraw/zinc/69/81/91/558698191.db2.gz	CVBLOZUKLMAALM-UHFFFAOYSA-N	2	2	419.529	3.403	50	10		HGCALP
COC(=O)C=C1[NH2+]N(c2ccccc2)C([O-])=C1C(C)=[NH+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000001432918	557262690	/nfs/dbraw/zinc/26/26/90/557262690.db2.gz	ZPPFOUZRSLCNNR-HKWRFOASSA-N	2	2	412.534	3.125	50	10		HGCALP
CC(C)(c1ccccc1)c1cc(C[NH+]2CCOCC2)c(O)c(C[NH+]2CCOCC2)c1	ZINC000022863170	557843327	/nfs/dbraw/zinc/84/33/27/557843327.db2.gz	GNYZNZSRCSQTPE-UHFFFAOYSA-N	2	2	410.558	3.383	50	10		HGCALP
COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c(C)nc4sc(C)cn34)CC2)cc1	ZINC000237273301	569281951	/nfs/dbraw/zinc/28/19/51/569281951.db2.gz	ASYXMLYNIGONOB-UHFFFAOYSA-N	2	2	413.591	3.323	50	10		HGCALP
O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000004551055	557566105	/nfs/dbraw/zinc/56/61/05/557566105.db2.gz	RXYJXBLTXVQXPJ-RMKNXTFCSA-N	2	2	419.569	3.462	50	10		HGCALP
COCc1cc(C[NH2+]C[C@H]2C[C@@H](CO)[N@H+](C)[C@H]2c2ccccc2F)ccc1OC	ZINC000019146956	558846752	/nfs/dbraw/zinc/84/67/52/558846752.db2.gz	ZPHMQMWYLJIWDZ-HFJQGTKSSA-N	2	2	402.510	3.124	50	10		HGCALP
COCc1cc(C[NH2+]C[C@H]2C[C@@H](CO)[N@@H+](C)[C@H]2c2ccccc2F)ccc1OC	ZINC000019146956	558846754	/nfs/dbraw/zinc/84/67/54/558846754.db2.gz	ZPHMQMWYLJIWDZ-HFJQGTKSSA-N	2	2	402.510	3.124	50	10		HGCALP