smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000036347788	205012831	/nfs/dbraw/zinc/01/28/31/205012831.db2.gz	NQCJWHFUYMEHAZ-JOCHJYFZSA-N	1	1	377.444	4.406	10	10		GICEMO
C[C@H]1C[NH+](Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2O)C[C@H](C)O1	ZINC000094993368	208151269	/nfs/dbraw/zinc/15/12/69/208151269.db2.gz	VNEASBADCUCSPH-KBPBESRZSA-N	1	1	386.879	4.387	10	10		GICEMO
C[C@@H]1C[NH+](Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2O)C[C@@H](C)O1	ZINC000094993369	208150691	/nfs/dbraw/zinc/15/06/91/208150691.db2.gz	VNEASBADCUCSPH-ZIAGYGMSSA-N	1	1	386.879	4.387	10	10		GICEMO
Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000036347787	570630423	/nfs/dbraw/zinc/63/04/23/570630423.db2.gz	NQCJWHFUYMEHAZ-QFIPXVFZSA-N	1	1	377.444	4.406	10	10		GICEMO
C[C@@H]1C[N@@H+](Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2O)C[C@H](C)O1	ZINC000094993367	211216911	/nfs/dbraw/zinc/21/69/11/211216911.db2.gz	VNEASBADCUCSPH-OKILXGFUSA-N	1	1	386.879	4.387	10	10		GICEMO
C[C@@H]1C[N@H+](Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2O)C[C@H](C)O1	ZINC000094993367	211216917	/nfs/dbraw/zinc/21/69/17/211216917.db2.gz	VNEASBADCUCSPH-OKILXGFUSA-N	1	1	386.879	4.387	10	10		GICEMO
CCOc1cccc(C[N@H+](Cc2cccnc2)Cc2ccccc2OC)c1O	ZINC000055569038	570697114	/nfs/dbraw/zinc/69/71/14/570697114.db2.gz	OGBUPTXXEIGBQI-UHFFFAOYSA-N	1	1	378.472	4.397	10	10		GICEMO
CCOc1cccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2OC)c1O	ZINC000055569038	570697116	/nfs/dbraw/zinc/69/71/16/570697116.db2.gz	OGBUPTXXEIGBQI-UHFFFAOYSA-N	1	1	378.472	4.397	10	10		GICEMO
CCOc1cccc(C[N@H+](CCc2ccccc2)C[C@@H]2CCCN(C)C2)c1O	ZINC000011843894	221132600	/nfs/dbraw/zinc/13/26/00/221132600.db2.gz	HKDAWZYHOAOONS-OAQYLSRUSA-N	1	1	382.548	4.177	10	10		GICEMO
CCOc1cccc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCCN(C)C2)c1O	ZINC000011843894	221132602	/nfs/dbraw/zinc/13/26/02/221132602.db2.gz	HKDAWZYHOAOONS-OAQYLSRUSA-N	1	1	382.548	4.177	10	10		GICEMO
Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1	ZINC000504208034	533726758	/nfs/dbraw/zinc/72/67/58/533726758.db2.gz	JYORXJOTXPFKMG-PKTZIBPZSA-N	1	1	379.548	4.148	10	10		GICEMO
Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1	ZINC000504208033	533726523	/nfs/dbraw/zinc/72/65/23/533726523.db2.gz	JYORXJOTXPFKMG-DHIUTWEWSA-N	1	1	379.548	4.148	10	10		GICEMO