smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CS[C@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@H]1O	ZINC000005487110	556056160	/nfs/dbraw/zinc/05/61/60/556056160.db2.gz	YETXSQDQSWLLJR-NIQLSDGISA-N	2	0	425.559	-0.003	40	0		IBABRP
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CS[C@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@H]1O	ZINC000005487111	556056092	/nfs/dbraw/zinc/05/60/92/556056092.db2.gz	YETXSQDQSWLLJR-RIUSKDJYSA-N	2	0	425.559	-0.003	40	0		IBABRP
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CS[C@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@@H]1O	ZINC000005487114	556056096	/nfs/dbraw/zinc/05/60/96/556056096.db2.gz	YETXSQDQSWLLJR-UQDVZAGBSA-N	2	0	425.559	-0.003	40	0		IBABRP
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CS[C@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@@H]1O	ZINC000005487117	556056119	/nfs/dbraw/zinc/05/61/19/556056119.db2.gz	YETXSQDQSWLLJR-OLEJRHAZSA-N	2	0	425.559	-0.003	40	0		IBABRP
C[C@]1(O)COC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)C[C@@H]1n1cnc2c1ncnc2N	ZINC000257227469	568677959	/nfs/dbraw/zinc/67/79/59/568677959.db2.gz	FPLAPIFVKBVDHL-AVYPCKFXSA-N	2	0	446.556	-0.062	40	0		IBABRP
C[C@]1(O)COC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)C[C@@H]1n1cnc2c1ncnc2N	ZINC000257227470	568677929	/nfs/dbraw/zinc/67/79/29/568677929.db2.gz	FPLAPIFVKBVDHL-SIFCLUCFSA-N	2	0	446.556	-0.062	40	0		IBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cc(F)c(=O)[nH]c1=O	ZINC000257286106	568704805	/nfs/dbraw/zinc/70/48/05/568704805.db2.gz	PKHQQTQUOYNGPU-DOXZYTNZSA-N	2	0	441.504	-0.382	40	0		IBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cc(F)c(=O)[nH]c1=O	ZINC000257286107	568704758	/nfs/dbraw/zinc/70/47/58/568704758.db2.gz	PKHQQTQUOYNGPU-VCBZYWHSSA-N	2	0	441.504	-0.382	40	0		IBABRP
Cc1cn([C@H]2CC3(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC3)OC[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257306623	568714091	/nfs/dbraw/zinc/71/40/91/568714091.db2.gz	SVBLMIFIELZGOI-GUXCAODWSA-N	2	0	437.541	-0.213	40	0		IBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cnc2c1ncnc2N	ZINC000257326347	568722809	/nfs/dbraw/zinc/72/28/09/568722809.db2.gz	WWWRTVAVANHCQC-AVYPCKFXSA-N	2	0	446.556	-0.062	40	0		IBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cnc2c1ncnc2N	ZINC000257326348	568722887	/nfs/dbraw/zinc/72/28/87/568722887.db2.gz	WWWRTVAVANHCQC-SIFCLUCFSA-N	2	0	446.556	-0.062	40	0		IBABRP
Cc1cn([C@H]2COC3(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC3)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257327789	568723215	/nfs/dbraw/zinc/72/32/15/568723215.db2.gz	XCTKWXPWRLTFFR-FTRWYGJKSA-N	2	0	437.541	-0.213	40	0		IBABRP
Cc1cn([C@H]2COC3(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC3)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257327790	568723395	/nfs/dbraw/zinc/72/33/95/568723395.db2.gz	XCTKWXPWRLTFFR-GUXCAODWSA-N	2	0	437.541	-0.213	40	0		IBABRP
C[C@@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@H]1n1cnc2c1ncnc2N	ZINC000585286909	557225586	/nfs/dbraw/zinc/22/55/86/557225586.db2.gz	WWWRTVAVANHCQC-STXHMFSFSA-N	2	0	446.556	-0.062	40	0		IBABRP