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)Nc1ccc2nc(CN(CCc3ccccc3)C[C@@H]3CCC[N@@H+](C)C3)ccc2c1	ZINC000012449001	519734792	/nfs/dbraw/zinc/73/47/92/519734792.db2.gz	UIPHMKNFKMVDHO-HSZRJFAPSA-N	1	3	430.596	4.580	10	0		IJAEHO
CC(=O)Nc1ccc2nc(CN(CCc3ccccc3)C[C@@H]3CCC[N@H+](C)C3)ccc2c1	ZINC000012449001	519734794	/nfs/dbraw/zinc/73/47/94/519734794.db2.gz	UIPHMKNFKMVDHO-HSZRJFAPSA-N	1	3	430.596	4.580	10	0		IJAEHO
C[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000012135950	523417432	/nfs/dbraw/zinc/41/74/32/523417432.db2.gz	AUYCLXZSPZHTRD-AREMUKBSSA-N	1	3	443.591	4.766	10	0		IJAEHO
C[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000012135950	523417437	/nfs/dbraw/zinc/41/74/37/523417437.db2.gz	AUYCLXZSPZHTRD-AREMUKBSSA-N	1	3	443.591	4.766	10	0		IJAEHO
FC(F)Oc1ccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012281579	527695578	/nfs/dbraw/zinc/69/55/78/527695578.db2.gz	WWQACGJAYFQNEY-IBGZPJMESA-N	1	3	448.583	4.646	10	0		IJAEHO
CCOc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccc(C)cc1	ZINC000020874739	520712757	/nfs/dbraw/zinc/71/27/57/520712757.db2.gz	ABTFBPVALKDHDW-UHFFFAOYSA-N	1	3	435.406	4.777	10	0		IJAEHO
FC(F)Oc1ccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012281578	527695812	/nfs/dbraw/zinc/69/58/12/527695812.db2.gz	WWQACGJAYFQNEY-LJQANCHMSA-N	1	3	448.583	4.646	10	0		IJAEHO
CC(=O)Nc1ccc2nc(CN(CCc3ccccc3)C[C@H]3CCC[N@@H+](C)C3)ccc2c1	ZINC000012449002	519734933	/nfs/dbraw/zinc/73/49/33/519734933.db2.gz	UIPHMKNFKMVDHO-QHCPKHFHSA-N	1	3	430.596	4.580	10	0		IJAEHO
CC(=O)Nc1ccc2nc(CN(CCc3ccccc3)C[C@H]3CCC[N@H+](C)C3)ccc2c1	ZINC000012449002	519734934	/nfs/dbraw/zinc/73/49/34/519734934.db2.gz	UIPHMKNFKMVDHO-QHCPKHFHSA-N	1	3	430.596	4.580	10	0		IJAEHO
C[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000012135948	523419157	/nfs/dbraw/zinc/41/91/57/523419157.db2.gz	AUYCLXZSPZHTRD-SANMLTNESA-N	1	3	443.591	4.766	10	0		IJAEHO
C[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000012135948	523419163	/nfs/dbraw/zinc/41/91/63/523419163.db2.gz	AUYCLXZSPZHTRD-SANMLTNESA-N	1	3	443.591	4.766	10	0		IJAEHO
COCC[N@@H+](Cc1ccnc2ccccc12)CC1CCN(Cc2ccccc2OC)CC1	ZINC000055168664	556737012	/nfs/dbraw/zinc/73/70/12/556737012.db2.gz	NKHMXODPVAZABT-UHFFFAOYSA-N	1	3	433.596	4.604	10	0		IJAEHO
COCC[N@H+](Cc1ccnc2ccccc12)CC1CCN(Cc2ccccc2OC)CC1	ZINC000055168664	556737013	/nfs/dbraw/zinc/73/70/13/556737013.db2.gz	NKHMXODPVAZABT-UHFFFAOYSA-N	1	3	433.596	4.604	10	0		IJAEHO