smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1CC[C@@]23c4c5c(O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000003920820	552422315	/nfs/dbraw/zinc/42/23/15/552422315.db2.gz	DSRNCSJRHACUJL-JXOQMJNJSA-N	-1	1	503.504	-1.133	50	30	in-vitro	KAEAMM
COc1ccc(OC[C@@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000009356939	553246698	/nfs/dbraw/zinc/24/66/98/553246698.db2.gz	DNGJAUYEKFEICH-VIFPVBQESA-N	-1	1	500.428	-1.994	50	30		KAEAMM
COc1ccc(OC[C@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000009356943	553246739	/nfs/dbraw/zinc/24/67/39/553246739.db2.gz	DNGJAUYEKFEICH-SECBINFHSA-N	-1	1	500.428	-1.994	50	30		KAEAMM
CN1NC(=O)C(=O)N[C@H]1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@@H]2SC1	ZINC000100040492	554191890	/nfs/dbraw/zinc/19/18/90/554191890.db2.gz	OOTHJKWXOROFGW-MINJOEIYSA-N	-1	1	542.581	-1.408	50	30		KAEAMM
CN1NC(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@@H]2SC1	ZINC000100040495	554191836	/nfs/dbraw/zinc/19/18/36/554191836.db2.gz	OOTHJKWXOROFGW-IIGWCIFJSA-N	-1	1	542.581	-1.408	50	30		KAEAMM
CCc1cccc(OC[C@@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)n(C)c(=O)n3C)c1	ZINC000170624531	571563136	/nfs/dbraw/zinc/56/31/36/571563136.db2.gz	WPCOFJAJSODHLM-LBPRGKRZSA-N	-1	1	512.483	-1.430	50	30		KAEAMM
CCc1cccc(OC[C@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)n(C)c(=O)n3C)c1	ZINC000170624532	571563104	/nfs/dbraw/zinc/56/31/04/571563104.db2.gz	WPCOFJAJSODHLM-GFCCVEGCSA-N	-1	1	512.483	-1.430	50	30		KAEAMM
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000256000697	572304952	/nfs/dbraw/zinc/30/49/52/572304952.db2.gz	SAGYNNXCQOFQHW-JJXSEGSLSA-N	-1	1	523.547	-3.384	50	30		KAEAMM
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000256000698	572304869	/nfs/dbraw/zinc/30/48/69/572304869.db2.gz	SAGYNNXCQOFQHW-XUWVNRHRSA-N	-1	1	523.547	-3.384	50	30		KAEAMM
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000256000699	572304898	/nfs/dbraw/zinc/30/48/98/572304898.db2.gz	SAGYNNXCQOFQHW-ZJIFWQFVSA-N	-1	1	523.547	-3.384	50	30		KAEAMM
C[C@H](O)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000256004688	572304905	/nfs/dbraw/zinc/30/49/05/572304905.db2.gz	UMZVBZDHGKJFGQ-FVYYAMPBSA-N	-1	1	601.618	-5.500	50	30		KAEAMM
C[C@H](O)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000256004689	572304878	/nfs/dbraw/zinc/30/48/78/572304878.db2.gz	UMZVBZDHGKJFGQ-IVDOMPFISA-N	-1	1	601.618	-5.500	50	30		KAEAMM
C[C@H](O)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000256004690	572304946	/nfs/dbraw/zinc/30/49/46/572304946.db2.gz	UMZVBZDHGKJFGQ-NTIKPUAMSA-N	-1	1	601.618	-5.500	50	30		KAEAMM
C[C@H](O)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000256004691	572304916	/nfs/dbraw/zinc/30/49/16/572304916.db2.gz	UMZVBZDHGKJFGQ-WIGWEZOPSA-N	-1	1	601.618	-5.500	50	30		KAEAMM