smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000003928361	561687039	/nfs/dbraw/zinc/68/70/39/561687039.db2.gz	SGXPTOACEHQGHL-RCNLLYRESA-N	1	1	694.769	-1.784	10	0	in-man	KAAEMO
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000012496598	571695416	/nfs/dbraw/zinc/69/54/16/571695416.db2.gz	OTAMFXXAGYBAQL-YXMSTPNBSA-N	1	1	500.601	-2.868	10	0	endogenous,in-man	KAAEMO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000068045256	562715723	/nfs/dbraw/zinc/71/57/23/562715723.db2.gz	TWWFCOBVAKAKIT-SXYSDOLCSA-N	1	1	692.779	-4.635	10	0		KAAEMO
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC	ZINC000095546518	562758526	/nfs/dbraw/zinc/75/85/26/562758526.db2.gz	OZXURBBJHFLDSZ-VLDKAQFRSA-N	1	1	761.918	-1.369	10	0		KAAEMO
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+](C2CCCCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976354	553968991	/nfs/dbraw/zinc/96/89/91/553968991.db2.gz	AQXQICBSCRCHJC-NYWUXBNHSA-N	1	1	521.615	-2.053	10	0		KAAEMO
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+](CC(C)(C)C)C3)[C@H](O)[C@@H]1O	ZINC000097976360	553968953	/nfs/dbraw/zinc/96/89/53/553968953.db2.gz	FEDAIXUKKMRIQL-QMFSJDNRSA-N	1	1	509.604	-2.340	10	0		KAAEMO
CS(=O)(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](CC2CCCCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976410	553969324	/nfs/dbraw/zinc/96/93/24/553969324.db2.gz	OYKVMVLQXKUPIX-PAANBGOBSA-N	1	1	571.697	-2.393	10	0		KAAEMO
CS(=O)(=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	ZINC000097976467	553970349	/nfs/dbraw/zinc/97/03/49/553970349.db2.gz	IGMJPSFGGIVKMQ-QYVNXHJBSA-N	1	1	543.643	-3.030	10	0		KAAEMO
CS(=O)(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](CC1CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976561	553971114	/nfs/dbraw/zinc/97/11/14/553971114.db2.gz	GTLRLHIAWFLPLW-QMFSJDNRSA-N	1	1	516.617	-2.663	10	0		KAAEMO
COCC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](C1CCN(C)CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976623	553971816	/nfs/dbraw/zinc/97/18/16/553971816.db2.gz	ZCPQIEJLYSEGNU-VICWBLINSA-N	1	1	553.657	-2.765	10	0		KAAEMO
COCC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](C1CCN(C)CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976623	553971812	/nfs/dbraw/zinc/97/18/12/553971812.db2.gz	ZCPQIEJLYSEGNU-VICWBLINSA-N	1	1	553.657	-2.765	10	0		KAAEMO
COCC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](CC1CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976629	553971771	/nfs/dbraw/zinc/97/17/71/553971771.db2.gz	WKUKLRHDNJAGIR-ZWJIQWELSA-N	1	1	510.588	-2.449	10	0		KAAEMO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CCOCC3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3ccccc3)N1)[C@@H](O)[C@H]2O	ZINC000108317014	571423171	/nfs/dbraw/zinc/42/31/71/571423171.db2.gz	UQDRLSHODCELJN-QJDMKIOZSA-N	1	1	599.685	-1.779	10	0		KAAEMO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CCOCC3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3)N1)[C@@H](O)[C@H]2O	ZINC000108317014	571423169	/nfs/dbraw/zinc/42/31/69/571423169.db2.gz	UQDRLSHODCELJN-QJDMKIOZSA-N	1	1	599.685	-1.779	10	0		KAAEMO
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+](C(C)C)C3)[C@H](O)[C@@H]1O	ZINC000108317207	571423188	/nfs/dbraw/zinc/42/31/88/571423188.db2.gz	PCXBCROCRVSRKT-OCWMMRLVSA-N	1	1	511.576	-3.351	10	0		KAAEMO
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+](C2CCCCC2)C3)[C@H](O)[C@@H]1O	ZINC000108317215	571423329	/nfs/dbraw/zinc/42/33/29/571423329.db2.gz	OMRYBFXABGPOEM-VMMXISGZSA-N	1	1	551.641	-2.427	10	0		KAAEMO
NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000162512575	571532384	/nfs/dbraw/zinc/53/23/84/571532384.db2.gz	KEGKLERTOGWSEO-ZIUUJSQJSA-N	1	1	758.793	-2.564	10	0		KAAEMO