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)c1ccc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1	ZINC000071954881	211065539	/nfs/dbraw/zinc/06/55/39/211065539.db2.gz	XXDVBFGGXCJMIC-INIZCTEOSA-N	1	0	381.476	4.784	20	5		GJBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC001165049738	721968950	/nfs/dbraw/zinc/96/89/50/721968950.db2.gz	WHZPXECUUNLHEZ-OAHLLOKOSA-N	1	0	388.899	4.641	20	5		GJBDRO
Cc1c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-]	ZINC000072006081	222202838	/nfs/dbraw/zinc/20/28/38/222202838.db2.gz	CWGKVVQDEMTNOS-UHFFFAOYSA-N	1	0	395.503	4.598	20	5		GJBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1	ZINC001165049737	721969112	/nfs/dbraw/zinc/96/91/12/721969112.db2.gz	WHZPXECUUNLHEZ-HNNXBMFYSA-N	1	0	388.899	4.641	20	5		GJBDRO
CC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000071954807	222199274	/nfs/dbraw/zinc/19/92/74/222199274.db2.gz	LIFIDAYVZPBEHO-INIZCTEOSA-N	1	0	381.476	4.641	20	5		GJBDRO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCCC[C@H]1CC[NH+]1CCCC1	ZINC001165047842	721978485	/nfs/dbraw/zinc/97/84/85/721978485.db2.gz	ARZOELJMVGFIMM-INIZCTEOSA-N	1	0	388.899	4.641	20	5		GJBDRO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC001165047845	721978523	/nfs/dbraw/zinc/97/85/23/721978523.db2.gz	ARZOELJMVGFIMM-MRXNPFEDSA-N	1	0	388.899	4.641	20	5		GJBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CCCC[C@H]3CC[NH+]3CCCC3)ccc21	ZINC001165049832	721972182	/nfs/dbraw/zinc/97/21/82/721972182.db2.gz	SCZIOCDVKQERPB-HNNXBMFYSA-N	1	0	388.899	4.641	20	5		GJBDRO
c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc3ccc4cccnc4c3n2)c1	ZINC001164938584	721912075	/nfs/dbraw/zinc/91/20/75/721912075.db2.gz	GENSBLXHEQJTTH-KDURUIRLSA-N	1	0	386.524	4.698	20	5		GJBDRO
CC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1	ZINC000071954880	222199180	/nfs/dbraw/zinc/19/91/80/222199180.db2.gz	XXDVBFGGXCJMIC-MRXNPFEDSA-N	1	0	381.476	4.784	20	5		GJBDRO
CC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000071954806	222199207	/nfs/dbraw/zinc/19/92/07/222199207.db2.gz	LIFIDAYVZPBEHO-MRXNPFEDSA-N	1	0	381.476	4.641	20	5		GJBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21	ZINC001165049833	721972347	/nfs/dbraw/zinc/97/23/47/721972347.db2.gz	SCZIOCDVKQERPB-OAHLLOKOSA-N	1	0	388.899	4.641	20	5		GJBDRO