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@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000003920167	552422272	/nfs/dbraw/zinc/42/22/72/552422272.db2.gz	HVZPPZGCZLLMBC-LJZWMIMPSA-N	1	1	593.686	-3.380	40	0		KAABMO
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NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005706436	552506760	/nfs/dbraw/zinc/50/67/60/552506760.db2.gz	SICYTVOXTSBTHS-QXSJWSMHSA-N	1	1	524.627	-2.608	40	0		KAABMO
C[C@H](O)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000008659413	553108906	/nfs/dbraw/zinc/10/89/06/553108906.db2.gz	IESDGNYHXIOKRW-GVRJEKJASA-N	1	1	500.601	-2.868	40	0		KAABMO
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000008659414	553108931	/nfs/dbraw/zinc/10/89/31/553108931.db2.gz	IESDGNYHXIOKRW-CWVYHPPDSA-N	1	1	500.601	-2.868	40	0		KAABMO
O=C(NCCCN1CCOCC1)C(=O)NCc1cccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1	ZINC000020477664	553657471	/nfs/dbraw/zinc/65/74/71/553657471.db2.gz	ATDDTHNNXQEZBM-UHFFFAOYSA-N	1	1	532.642	-1.404	40	0		KAABMO
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](C2CCN(C)CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976357	553968901	/nfs/dbraw/zinc/96/89/01/553968901.db2.gz	ZTCAPMXEEHRARW-NYWUXBNHSA-N	1	1	536.630	-3.292	40	0		KAABMO
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2CCN(C)CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976357	553968898	/nfs/dbraw/zinc/96/88/98/553968898.db2.gz	ZTCAPMXEEHRARW-NYWUXBNHSA-N	1	1	536.630	-3.292	40	0		KAABMO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CC3)C(=O)[C@@H]3C[C@@H](C[N@H+]3C3CCOCC3)N1)[C@@H](O)[C@H]2O	ZINC000097976377	553969012	/nfs/dbraw/zinc/96/90/12/553969012.db2.gz	BCIOAEONCKMQOB-NYWUXBNHSA-N	1	1	549.625	-2.817	40	0		KAABMO
CC(C)(C)CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2CCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976380	553969074	/nfs/dbraw/zinc/96/90/74/553969074.db2.gz	OXUQAPFEUATDSW-VMMXISGZSA-N	1	1	549.669	-1.417	40	0		KAABMO
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O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](C[N@H+]3C3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000097976424	553969924	/nfs/dbraw/zinc/96/99/24/553969924.db2.gz	GOLOTMCJWYYLKR-GKTPCYOCSA-N	1	1	637.731	-1.072	40	0		KAABMO
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O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3CC3CC3)N1)[C@@H](O)[C@H]2O	ZINC000097976428	553969970	/nfs/dbraw/zinc/96/99/70/553969970.db2.gz	XSYZBOJPIAUPDF-NAKVCLRQSA-N	1	1	609.677	-1.995	40	0		KAABMO
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2CCC(F)(F)CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976438	553969982	/nfs/dbraw/zinc/96/99/82/553969982.db2.gz	PRXJHZWAASTUBO-YTXRLFPLSA-N	1	1	557.595	-1.808	40	0		KAABMO
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CC(C)(C)CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2CCCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976445	553969823	/nfs/dbraw/zinc/96/98/23/553969823.db2.gz	BKYSXCZMUVSHNQ-VICWBLINSA-N	1	1	563.696	-1.027	40	0		KAABMO
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2CCOCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976451	553969988	/nfs/dbraw/zinc/96/99/88/553969988.db2.gz	SPNDAOUANYQUJQ-HACYBBHWSA-N	1	1	553.613	-3.581	40	0		KAABMO
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2CCC(F)(F)CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976452	553970000	/nfs/dbraw/zinc/97/00/00/553970000.db2.gz	BJJXMEDYIFJEEU-HACYBBHWSA-N	1	1	587.621	-2.182	40	0		KAABMO
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2Cc4ccccc4C2)C3)[C@H](O)[C@@H]1O	ZINC000097976453	553969891	/nfs/dbraw/zinc/96/98/91/553969891.db2.gz	ZNAVXSQDJMBRSC-OZYXSZRVSA-N	1	1	585.658	-2.592	40	0		KAABMO
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](CC2CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976454	553969852	/nfs/dbraw/zinc/96/98/52/553969852.db2.gz	BJSBDBVIXMGDDJ-QHPZLZSXSA-N	1	1	523.587	-3.350	40	0		KAABMO
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