smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@H](CNC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1	ZINC000160229413	282238077	/nfs/dbraw/zinc/23/80/77/282238077.db2.gz	NDTHVPWCLCVZNY-HUUCEWRRSA-N	0	3	334.420	-0.408	10	70		EBIEHN
CC(C)[N@H+]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@@H](C)C1	ZINC000161375559	377343898	/nfs/dbraw/zinc/34/38/98/377343898.db2.gz	UZWANLIROTYQQX-RYUDHWBXSA-N	0	3	343.453	-0.457	10	70		EBIEHN
CC(C)[N@@H+]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@@H](C)C1	ZINC000161375559	377343916	/nfs/dbraw/zinc/34/39/16/377343916.db2.gz	UZWANLIROTYQQX-RYUDHWBXSA-N	0	3	343.453	-0.457	10	70		EBIEHN
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1	ZINC000161375441	377343945	/nfs/dbraw/zinc/34/39/45/377343945.db2.gz	UZWANLIROTYQQX-NEPJUHHUSA-N	0	3	343.453	-0.457	10	70		EBIEHN
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1	ZINC000161375441	377343951	/nfs/dbraw/zinc/34/39/51/377343951.db2.gz	UZWANLIROTYQQX-NEPJUHHUSA-N	0	3	343.453	-0.457	10	70		EBIEHN
CC[C@@H]1CN(CCc2cn(CC(=O)OC)nn2)CCN1C[C@@H](C)O	ZINC000159913865	377220637	/nfs/dbraw/zinc/22/06/37/377220637.db2.gz	VWXGDNLJLKQARF-UKRRQHHQSA-N	0	3	339.440	-0.229	10	70		EBIEHN
COC(=O)Cn1cc(CCN2CCCN(c3cccnn3)CC2)nn1	ZINC000159880093	377314138	/nfs/dbraw/zinc/31/41/38/377314138.db2.gz	MFDXZJFVUMNNOF-UHFFFAOYSA-N	0	3	345.407	-0.004	10	70		EBIEHN
CC[C@H]1CN(CCc2cn(CC(=O)OC)nn2)CCN1C[C@@H](C)O	ZINC000159913999	377220910	/nfs/dbraw/zinc/22/09/10/377220910.db2.gz	VWXGDNLJLKQARF-HIFRSBDPSA-N	0	3	339.440	-0.229	10	70		EBIEHN
CN(C)[C@@H](CNC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1	ZINC000160229262	282171176	/nfs/dbraw/zinc/17/11/76/282171176.db2.gz	NDTHVPWCLCVZNY-LSDHHAIUSA-N	0	3	334.420	-0.408	10	70		EBIEHN
CN(CC(=O)N1CCOCC1)C(=O)CN1CCC(c2ccn[nH]2)CC1	ZINC000160655499	378295262	/nfs/dbraw/zinc/29/52/62/378295262.db2.gz	IUVKKVDOKHXMCM-UHFFFAOYSA-N	0	3	349.435	-0.094	10	70		EBIEHN