smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N)C(=O)N[C@@H](Cc1ccc(I)cc1)C([O-])=C[N+]#N	ZINC000040405789	205064233	/nfs/dbraw/zinc/06/42/33/205064233.db2.gz	UFLVBAHRXSEHDC-KWQFWETISA-N	0	3	386.193	0.535	1	10		GCCFHN
CNCC(=O)Nc1ccc(NC(=O)CNC)c2c1C(=O)c1ccccc1C2=O	ZINC000005996294	204161422	/nfs/dbraw/zinc/16/14/22/204161422.db2.gz	PSRHMTWVKZCJMJ-UHFFFAOYSA-N	0	3	380.404	0.778	1	10		GCCFHN
O[C@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1N1CCOCC1	ZINC000020202893	136202676	/nfs/dbraw/zinc/20/26/76/136202676.db2.gz	ZUEGHKWTEFHPMY-ROUUACIJSA-N	0	3	375.469	0.761	1	10		GCCFHN
COC(=O)CNC(=O)[C@@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(C)C	ZINC000096933363	211353272	/nfs/dbraw/zinc/35/32/72/211353272.db2.gz	FOXTURWICNFWCC-URBCHYCLSA-N	0	3	395.424	0.384	1	10		GCCFHN
COC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(C)C	ZINC000096933362	208330294	/nfs/dbraw/zinc/33/02/94/208330294.db2.gz	FOXTURWICNFWCC-JULQROHOSA-N	0	3	395.424	0.384	1	10		GCCFHN
CC(C)C[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O	ZINC000096933360	208329543	/nfs/dbraw/zinc/32/95/43/208329543.db2.gz	MNSKYKFWLSTIJP-SRRSOLGSSA-N	0	3	394.440	0.086	1	10		GCCFHN
CC(C)C[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(N)=O	ZINC000096933361	208329440	/nfs/dbraw/zinc/32/94/40/208329440.db2.gz	MNSKYKFWLSTIJP-BLFANLJRSA-N	0	3	394.440	0.086	1	10		GCCFHN