smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCCN(CCO)C1=N[C@H]2C(N3CCCCC3)=NC(N(CCO)CCO)=N[C@H]2C(N2CCCCC2)=N1	ZINC000013510816	553467579	/nfs/dbraw/zinc/46/75/79/553467579.db2.gz	RMUHTDMTFYFGPA-WOJBJXKFSA-N	0	3	506.652	-1.195	50	0		KAAAHN
OCCN(CCO)C1=N[C@H]2C(N3CCCCC3)=NC(N(CCO)CCO)=N[C@@H]2C(N2CCCCC2)=N1	ZINC000013510820	553467555	/nfs/dbraw/zinc/46/75/55/553467555.db2.gz	RMUHTDMTFYFGPA-BGYRXZFFSA-N	0	3	506.652	-1.195	50	0		KAAAHN
OCCN(CCO)C1=N[C@@H]2C(N3CCCCC3)=NC(N(CCO)CCO)=N[C@@H]2C(N2CCCCC2)=N1	ZINC000013510822	553467518	/nfs/dbraw/zinc/46/75/18/553467518.db2.gz	RMUHTDMTFYFGPA-PMACEKPBSA-N	0	3	506.652	-1.195	50	0		KAAAHN
O=C1C[C@@H](NCCN2CCOCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H](NCCN3CCOCC3)C2=O)cc1	ZINC000022790008	553750216	/nfs/dbraw/zinc/75/02/16/553750216.db2.gz	HGCPRLZAKRSNHB-FGZHOGPDSA-N	0	3	528.610	-1.206	50	0		KAAAHN
O=C1C[C@H](NCCN2CCOCC2)C(=O)N1c1ccc(N2C(=O)C[C@H](NCCN3CCOCC3)C2=O)cc1	ZINC000103128924	555297283	/nfs/dbraw/zinc/29/72/83/555297283.db2.gz	HGCPRLZAKRSNHB-VXKWHMMOSA-N	0	3	528.610	-1.206	50	0		KAAAHN
C[C@H](N)C(=O)N1CCC2(CNC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)COc3cccc(c3)C2)CC1	ZINC000952856650	1066213987	/nfs/dbraw/zinc/21/39/87/1066213987.db2.gz	FFTOZGMQTUYILR-ZZTDLJEGSA-N	0	3	586.690	-1.334	50	0		KAAAHN
CC(C)[C@H]1NC(=O)CN(C(=O)CN2CCCN(C)CC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O	ZINC000952857040	1066214673	/nfs/dbraw/zinc/21/46/73/1066214673.db2.gz	HFEDWJWLTUQQEY-DWIHMJRXSA-N	0	3	658.801	-2.568	50	0		KAAAHN
C[C@@H](O)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)CCNC(=O)[C@H](C)NC1=O	ZINC000952862396	1066215982	/nfs/dbraw/zinc/21/59/82/1066215982.db2.gz	MHQIUJTVLXYPMA-QGCGLYHNSA-N	0	3	745.838	-1.786	50	0		KAAAHN
C[C@@H](O)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)CCNC(=O)[C@H](C)NC1=O	ZINC000952862396	1066215972	/nfs/dbraw/zinc/21/59/72/1066215972.db2.gz	MHQIUJTVLXYPMA-QGCGLYHNSA-N	0	3	745.838	-1.786	50	0		KAAAHN