smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@@]1(C)C(=O)OCC2=CC[N@@H+](C)CC[C@@H](OC(=O)[C@@](O)([C@@H](C)O)C[C@H]1C)C2=O	ZINC000008952521	569489986	/nfs/dbraw/zinc/48/99/86/569489986.db2.gz	MPJBVZKNLCGQHF-YLRKQKNVSA-N	1	1	441.477	-0.254	40	30	biogenic	IBEBMO
CC(=O)O[C@@]1(C)C(=O)OCC2=CC[N@H+](C)CC[C@@H](OC(=O)[C@@](O)([C@@H](C)O)C[C@H]1C)C2=O	ZINC000008952521	569489985	/nfs/dbraw/zinc/48/99/85/569489985.db2.gz	MPJBVZKNLCGQHF-YLRKQKNVSA-N	1	1	441.477	-0.254	40	30	biogenic	IBEBMO
CC(=O)O[C@]1(C)C(=O)OCC2=CC[N@@H+](C)CC[C@@H](OC(=O)[C@@](O)([C@H](C)O)C[C@@H]1C)C2=O	ZINC000008952733	519758166	/nfs/dbraw/zinc/75/81/66/519758166.db2.gz	MPJBVZKNLCGQHF-XVIKQZNXSA-N	1	1	441.477	-0.254	40	30	biogenic	IBEBMO
CC(=O)O[C@]1(C)C(=O)OCC2=CC[N@H+](C)CC[C@@H](OC(=O)[C@@](O)([C@H](C)O)C[C@@H]1C)C2=O	ZINC000008952733	519758163	/nfs/dbraw/zinc/75/81/63/519758163.db2.gz	MPJBVZKNLCGQHF-XVIKQZNXSA-N	1	1	441.477	-0.254	40	30	biogenic	IBEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12	ZINC000012654281	518661464	/nfs/dbraw/zinc/66/14/64/518661464.db2.gz	OLTZZXRGVSYTGW-WFCAPDTGSA-N	1	1	427.538	-0.332	40	30		IBEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000035360970	518660200	/nfs/dbraw/zinc/66/02/00/518660200.db2.gz	OLTZZXRGVSYTGW-AMHCVWTHSA-N	1	1	427.538	-0.332	40	30		IBEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000217355353	568883014	/nfs/dbraw/zinc/88/30/14/568883014.db2.gz	OLTZZXRGVSYTGW-WDUADGPYSA-N	1	1	427.538	-0.332	40	30		IBEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12	ZINC000217355436	568882965	/nfs/dbraw/zinc/88/29/65/568882965.db2.gz	OLTZZXRGVSYTGW-ZHLLGMIPSA-N	1	1	427.538	-0.332	40	30		IBEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000217355510	568882977	/nfs/dbraw/zinc/88/29/77/568882977.db2.gz	OLTZZXRGVSYTGW-MSPAGHCUSA-N	1	1	427.538	-0.332	40	30		IBEBMO