smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccncc1	ZINC000031912024	556411074	/nfs/dbraw/zinc/41/10/74/556411074.db2.gz	UWHHGPUJFLEBJQ-DEOSSOPVSA-N	1	3	463.025	6.720	40	10		JKCBHO
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccc(F)cc1	ZINC000008602904	520639643	/nfs/dbraw/zinc/63/96/43/520639643.db2.gz	IUQXIOUBUALYAC-VWLOTQADSA-N	1	3	480.027	7.464	40	10		JKCBHO
CC[NH+](CC)CC[C@H](CNc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccccc1	ZINC000008602982	520710829	/nfs/dbraw/zinc/71/08/29/520710829.db2.gz	MZKUHPSACPVODL-OAQYLSRUSA-N	1	3	462.037	6.978	40	10		JKCBHO
CC[NH+](CC)CC[C@@H](CNc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccccc1	ZINC000004416436	520708534	/nfs/dbraw/zinc/70/85/34/520708534.db2.gz	MZKUHPSACPVODL-NRFANRHFSA-N	1	3	462.037	6.978	40	10		JKCBHO
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1cccs1	ZINC000016982933	556195104	/nfs/dbraw/zinc/19/51/04/556195104.db2.gz	ARUQPJOIQVIMMV-QHCPKHFHSA-N	1	3	468.066	7.387	40	10		JKCBHO
CC[NH+](CC)CCC[C@@H](Cc1ccccc1)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000017145637	556225702	/nfs/dbraw/zinc/22/57/02/556225702.db2.gz	JVSQUMDDANEUCM-QHCPKHFHSA-N	1	3	476.064	7.195	40	10		JKCBHO
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccc(F)cc1	ZINC000004415991	520633866	/nfs/dbraw/zinc/63/38/66/520633866.db2.gz	IUQXIOUBUALYAC-RUZDIDTESA-N	1	3	480.027	7.464	40	10		JKCBHO
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1cccs1	ZINC000004748383	520633918	/nfs/dbraw/zinc/63/39/18/520633918.db2.gz	ARUQPJOIQVIMMV-HSZRJFAPSA-N	1	3	468.066	7.387	40	10		JKCBHO
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccc(Cl)cc1	ZINC000004429030	520633735	/nfs/dbraw/zinc/63/37/35/520633735.db2.gz	MDPILQBVLXUFDI-RUZDIDTESA-N	1	3	496.482	7.979	40	10		JKCBHO
CC[NH+](CC)CCC[C@H](Cc1ccccc1)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000004416725	520639724	/nfs/dbraw/zinc/63/97/24/520639724.db2.gz	JVSQUMDDANEUCM-HSZRJFAPSA-N	1	3	476.064	7.195	40	10		JKCBHO
CCOc1ccc2[nH+]c3cc(NN=C4C(=O)C(C)=CC(CN(CC)CC)=C4C)ccc3c(N)c2c1	ZINC000005573694	521308165	/nfs/dbraw/zinc/30/81/65/521308165.db2.gz	ZYQXDYJKPNVUDL-QNEJGDQOSA-N	1	3	471.605	6.949	40	10		JKCBHO
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccc(Cl)cc1	ZINC000016982936	556195257	/nfs/dbraw/zinc/19/52/57/556195257.db2.gz	MDPILQBVLXUFDI-VWLOTQADSA-N	1	3	496.482	7.979	40	10		JKCBHO
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1ccncc1	ZINC000004366170	520633003	/nfs/dbraw/zinc/63/30/03/520633003.db2.gz	UWHHGPUJFLEBJQ-XMMPIXPASA-N	1	3	463.025	6.720	40	10		JKCBHO
CCOc1ccc2[nH+]c3cc(NN=C4C(=O)C(C)=CC(CN(CC)CC)=C4C)ccc3c(N)c2c1	ZINC000104202418	569842947	/nfs/dbraw/zinc/84/29/47/569842947.db2.gz	ZYQXDYJKPNVUDL-MVJHLKBCSA-N	1	3	471.605	6.949	40	10		JKCBHO