smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2)c2ccc(O)c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2o1	ZINC000057151308	569429951	/nfs/dbraw/zinc/42/99/51/569429951.db2.gz	SZUKKKVPGLTWPD-UHFFFAOYSA-N	2	2	440.543	4.920	50	10		IJCALP
CCOC(=O)c1c(C[NH+](C)C)oc2cc(C[NH+](C)C)c(O)c(CSc3ccccc3)c21	ZINC000001303814	562921134	/nfs/dbraw/zinc/92/11/34/562921134.db2.gz	FTBSQBKUYKATOD-UHFFFAOYSA-N	2	2	442.581	4.731	50	10		IJCALP
C[N@@H+](Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729527	568903925	/nfs/dbraw/zinc/90/39/25/568903925.db2.gz	XJRWCBFHUSMFEC-XUZZJYLKSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP
C[N@H+](Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729527	568903927	/nfs/dbraw/zinc/90/39/27/568903927.db2.gz	XJRWCBFHUSMFEC-XUZZJYLKSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP
C[NH+](Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524729527	568903929	/nfs/dbraw/zinc/90/39/29/568903929.db2.gz	XJRWCBFHUSMFEC-XUZZJYLKSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP
C[NH+](Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524729527	568903931	/nfs/dbraw/zinc/90/39/31/568903931.db2.gz	XJRWCBFHUSMFEC-XUZZJYLKSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP
C[N@@H+](Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000409413312	556640797	/nfs/dbraw/zinc/64/07/97/556640797.db2.gz	HLQNQAXVUKKTSY-GBXCKJPGSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP
C[N@H+](Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000409413312	556640800	/nfs/dbraw/zinc/64/08/00/556640800.db2.gz	HLQNQAXVUKKTSY-GBXCKJPGSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP
C[NH+](Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000409413312	556640801	/nfs/dbraw/zinc/64/08/01/556640801.db2.gz	HLQNQAXVUKKTSY-GBXCKJPGSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP
C[NH+](Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000409413312	556640804	/nfs/dbraw/zinc/64/08/04/556640804.db2.gz	HLQNQAXVUKKTSY-GBXCKJPGSA-N	2	2	432.564	4.862	50	10	biogenic	IJCALP