smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1coc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1	ZINC000161137904	526570751	/nfs/dbraw/zinc/57/07/51/526570751.db2.gz	PVKYPIHHYMMZIY-OAHLLOKOSA-N	2	1	262.397	3.293	10	70		CGIEMP
c1coc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1	ZINC000161137904	526570755	/nfs/dbraw/zinc/57/07/55/526570755.db2.gz	PVKYPIHHYMMZIY-OAHLLOKOSA-N	2	1	262.397	3.293	10	70		CGIEMP
c1csc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000160785534	526588199	/nfs/dbraw/zinc/58/81/99/526588199.db2.gz	KGEJHLDCNAKQRK-HNNXBMFYSA-N	2	1	293.480	3.199	10	70		CGIEMP
c1csc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000160785534	526588202	/nfs/dbraw/zinc/58/82/02/526588202.db2.gz	KGEJHLDCNAKQRK-HNNXBMFYSA-N	2	1	293.480	3.199	10	70		CGIEMP
c1coc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1	ZINC000161137761	526569806	/nfs/dbraw/zinc/56/98/06/526569806.db2.gz	PVKYPIHHYMMZIY-HNNXBMFYSA-N	2	1	262.397	3.293	10	70		CGIEMP
c1coc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1	ZINC000161137761	526569810	/nfs/dbraw/zinc/56/98/10/526569810.db2.gz	PVKYPIHHYMMZIY-HNNXBMFYSA-N	2	1	262.397	3.293	10	70		CGIEMP
c1csc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000160785413	526586087	/nfs/dbraw/zinc/58/60/87/526586087.db2.gz	KGEJHLDCNAKQRK-OAHLLOKOSA-N	2	1	293.480	3.199	10	70		CGIEMP
c1csc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000160785413	526586092	/nfs/dbraw/zinc/58/60/92/526586092.db2.gz	KGEJHLDCNAKQRK-OAHLLOKOSA-N	2	1	293.480	3.199	10	70		CGIEMP
C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC(C)(C)C1	ZINC000217669287	270085142	/nfs/dbraw/zinc/08/51/42/270085142.db2.gz	VPSXUGOXEQRMEG-QXSJWSMHSA-N	2	1	264.457	3.418	10	70		CGIEMP
C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC(C)(C)C1	ZINC000217669287	270085143	/nfs/dbraw/zinc/08/51/43/270085143.db2.gz	VPSXUGOXEQRMEG-QXSJWSMHSA-N	2	1	264.457	3.418	10	70		CGIEMP
C1CC1[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	ZINC000217791822	276849445	/nfs/dbraw/zinc/84/94/45/276849445.db2.gz	JMXSSWSUDAFZCV-WRJYRGCMSA-N	2	1	274.452	3.028	10	70		CGIEMP
CC(C)=CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2C(C)C)CC1	ZINC000160831763	372279472	/nfs/dbraw/zinc/27/94/72/372279472.db2.gz	WVXVMKRZEQWMRN-SJLPKXTDSA-N	2	1	294.483	3.068	10	70		CGIEMP