smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000008214470	552984482	/nfs/dbraw/zinc/98/44/82/552984482.db2.gz	HHJUWIANJFBDHT-KOTLKJBCSA-N	1	3	753.941	2.732	50	0	biogenic,world	KFAAHO
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000008214470	552984479	/nfs/dbraw/zinc/98/44/79/552984479.db2.gz	HHJUWIANJFBDHT-KOTLKJBCSA-N	1	3	753.941	2.732	50	0	biogenic,world	KFAAHO
COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H]([NH2+]CCc5ccc(OC)c(OC)c5)C4=O)cc3)C2=O)cc1OC	ZINC000008412280	553009998	/nfs/dbraw/zinc/00/99/98/553009998.db2.gz	MRAUUQSGJNBZQT-CLJLJLNGSA-N	1	3	630.698	2.649	50	0		KFAAHO
COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H]([NH2+]CCc5ccc(OC)cc5)C4=O)cc3)C2=O)cc1	ZINC000008412295	553009987	/nfs/dbraw/zinc/00/99/87/553009987.db2.gz	FVYSVRUQFYEDBP-VSGBNLITSA-N	1	3	570.646	2.632	50	0		KFAAHO
COc1ccccc1CCN[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H]([NH2+]CCc4ccccc4OC)C3=O)cc2)C1=O	ZINC000008412307	553010013	/nfs/dbraw/zinc/01/00/13/553010013.db2.gz	HKGBEMSTAWJJSY-CLJLJLNGSA-N	1	3	570.646	2.632	50	0		KFAAHO
COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCC[NH+](C)C)C2)cc1OC	ZINC000014749872	553520340	/nfs/dbraw/zinc/52/03/40/553520340.db2.gz	BERACCVSXRAIJM-LEWJYISDSA-N	1	3	500.615	2.988	50	0		KFAAHO
COc1cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(C)C)cc2ccccc21	ZINC000035051152	554033900	/nfs/dbraw/zinc/03/39/00/554033900.db2.gz	NTJVVCBHEXNCDD-SONWIMMPSA-N	1	3	513.683	2.915	50	0		KFAAHO
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c2ccc(F)cc2[nH]c1-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)[NH2+]C	ZINC000096941868	553758211	/nfs/dbraw/zinc/75/82/11/553758211.db2.gz	PKWRMUKBEYJEIX-DXXQBUJASA-N	1	3	806.956	2.608	50	0	investigational	KFAAHO
COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H]([NH2+]CCc5ccc(OC)c(OC)c5)C4=O)cc3)C2=O)cc1OC	ZINC000098044505	554128880	/nfs/dbraw/zinc/12/88/80/554128880.db2.gz	MRAUUQSGJNBZQT-UIOOFZCWSA-N	1	3	630.698	2.649	50	0		KFAAHO
COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H]([NH2+]CCc5ccc(OC)cc5)C4=O)cc3)C2=O)cc1	ZINC000098044506	554128769	/nfs/dbraw/zinc/12/87/69/554128769.db2.gz	FVYSVRUQFYEDBP-NSOVKSMOSA-N	1	3	570.646	2.632	50	0		KFAAHO
COc1ccccc1CCN[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH2+]CCc4ccccc4OC)C3=O)cc2)C1=O	ZINC000098044507	554128902	/nfs/dbraw/zinc/12/89/02/554128902.db2.gz	HKGBEMSTAWJJSY-UIOOFZCWSA-N	1	3	570.646	2.632	50	0		KFAAHO
O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn2c1Sc1c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nnn1CC2	ZINC000101383190	554748769	/nfs/dbraw/zinc/74/87/69/554748769.db2.gz	GTHLCDVLXKOOTD-UHFFFAOYSA-N	1	3	626.791	2.823	50	0		KFAAHO
CC(C)[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H](C3=O)[C@H](C(C)C)[NH2+][C@]43c4ccccc4NC3=O)C(=O)[C@@H]21	ZINC000170622788	571562955	/nfs/dbraw/zinc/56/29/55/571562955.db2.gz	ZEKAXMYRRCDZQI-IRKZTTFWSA-N	1	3	680.806	2.700	50	0		KFAAHO
CN1CCN(CCCNC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)c2ccccc2)[C@@H]34)CC1	ZINC000257187892	1059046773	/nfs/dbraw/zinc/04/67/73/1059046773.db2.gz	MELWCKPPGDZMSV-ODNCNNFYSA-N	1	3	509.739	2.926	50	0		KFAAHO
CN1CCN(CCCNC(=O)CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)c2ccccc2)[C@@H]34)CC1	ZINC000257187892	1059046752	/nfs/dbraw/zinc/04/67/52/1059046752.db2.gz	MELWCKPPGDZMSV-ODNCNNFYSA-N	1	3	509.739	2.926	50	0		KFAAHO
CCN1CCN(CCNC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)c2ccccc2)[C@@H]34)CC1	ZINC000257197164	1059048670	/nfs/dbraw/zinc/04/86/70/1059048670.db2.gz	ZOKDFRPFFNPQIL-ODNCNNFYSA-N	1	3	509.739	2.926	50	0		KFAAHO
CCN1CCN(CCNC(=O)CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)c2ccccc2)[C@@H]34)CC1	ZINC000257197164	1059048651	/nfs/dbraw/zinc/04/86/51/1059048651.db2.gz	ZOKDFRPFFNPQIL-ODNCNNFYSA-N	1	3	509.739	2.926	50	0		KFAAHO