smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc3cc(Cl)ccc3c(NC[C@@H](CC[NH+](C)C)c3ccccc3)c2c1	ZINC000008614616	556192268	/nfs/dbraw/zinc/19/22/68/556192268.db2.gz	HRBFTCJQAARQAL-LJQANCHMSA-N	1	3	433.983	6.197	40	10		IKCBHO
CC[NH+](CC)CCC[C@H](C)Nc1c2ccccc2nc2c(C)cc(Br)cc21	ZINC000004428981	555994585	/nfs/dbraw/zinc/99/45/85/555994585.db2.gz	ZASRUGBLGJMDEL-KRWDZBQOSA-N	1	3	428.418	6.381	40	10		IKCBHO
CC[NH+](CC)CCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000004726532	556008464	/nfs/dbraw/zinc/00/84/64/556008464.db2.gz	XDESOPZVFRSNRT-UHFFFAOYSA-N	1	3	428.020	6.754	40	10		IKCBHO
CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)c(C)c2nc2c(C)cc(OC)cc21	ZINC000005807599	556066397	/nfs/dbraw/zinc/06/63/97/556066397.db2.gz	YVKWDYYNICMEEA-KRWDZBQOSA-N	1	3	428.020	6.589	40	10		IKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NC[C@H](CC[NH+](C)C)c3ccccc3)c2c1	ZINC000004416435	555993547	/nfs/dbraw/zinc/99/35/47/555993547.db2.gz	HRBFTCJQAARQAL-IBGZPJMESA-N	1	3	433.983	6.197	40	10		IKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005551924	556058722	/nfs/dbraw/zinc/05/87/22/556058722.db2.gz	YFKOILHZKFBUBK-IQGLISFBSA-N	1	3	438.015	6.507	40	10		IKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005551924	556058724	/nfs/dbraw/zinc/05/87/24/556058724.db2.gz	YFKOILHZKFBUBK-IQGLISFBSA-N	1	3	438.015	6.507	40	10		IKCBHO
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)c(C)c2nc2c(C)cc(OC)cc21	ZINC000005807593	556066343	/nfs/dbraw/zinc/06/63/43/556066343.db2.gz	YVKWDYYNICMEEA-QGZVFWFLSA-N	1	3	428.020	6.589	40	10		IKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005551927	556058756	/nfs/dbraw/zinc/05/87/56/556058756.db2.gz	YFKOILHZKFBUBK-AVRWGWEMSA-N	1	3	438.015	6.507	40	10		IKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005551927	556058757	/nfs/dbraw/zinc/05/87/57/556058757.db2.gz	YFKOILHZKFBUBK-AVRWGWEMSA-N	1	3	438.015	6.507	40	10		IKCBHO
CC[NH+](CC)CCSCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000004428635	555994574	/nfs/dbraw/zinc/99/45/74/555994574.db2.gz	BYCSDSODGSHNKL-UHFFFAOYSA-N	1	3	432.033	5.927	40	10		IKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCC3(c4ccccc4)CC[NH+](C)CC3)c2c1	ZINC000004769467	556011325	/nfs/dbraw/zinc/01/13/25/556011325.db2.gz	RUBQMSJOGFKSBL-UHFFFAOYSA-N	1	3	445.994	6.126	40	10		IKCBHO
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2cc(OC)c(OC)cc21	ZINC000006382048	556086383	/nfs/dbraw/zinc/08/63/83/556086383.db2.gz	BRGGGILPNYRZIN-MRXNPFEDSA-N	1	3	429.992	5.981	40	10		IKCBHO
CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2cc(OC)c(OC)cc21	ZINC000004428558	555994627	/nfs/dbraw/zinc/99/46/27/555994627.db2.gz	BRGGGILPNYRZIN-INIZCTEOSA-N	1	3	429.992	5.981	40	10		IKCBHO
CC[NH+](CC)CCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000004726533	556008548	/nfs/dbraw/zinc/00/85/48/556008548.db2.gz	UGQUKIBVEBEAQH-UHFFFAOYSA-N	1	3	442.047	7.144	40	10		IKCBHO
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccccc2nc2c(C)cc(Br)cc21	ZINC000006382066	556086220	/nfs/dbraw/zinc/08/62/20/556086220.db2.gz	ZASRUGBLGJMDEL-QGZVFWFLSA-N	1	3	428.418	6.381	40	10		IKCBHO