smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC#CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000275069447	374854744	/nfs/dbraw/zinc/85/47/44/374854744.db2.gz	WISLHUWKWYALQN-MRVPVSSYSA-N	-2	1	329.334	-1.771	20	30		EAEDML
CC#CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000275069449	374855048	/nfs/dbraw/zinc/85/50/48/374855048.db2.gz	WISLHUWKWYALQN-QMMMGPOBSA-N	-2	1	329.334	-1.771	20	30		EAEDML
C=CCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000315978908	794353310	/nfs/dbraw/zinc/35/33/10/794353310.db2.gz	ZLXKLGMYBXYNBC-MRVPVSSYSA-N	-2	1	331.350	-1.218	20	30		EAEDML
C=CCC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000315978910	794353440	/nfs/dbraw/zinc/35/34/40/794353440.db2.gz	ZLXKLGMYBXYNBC-QMMMGPOBSA-N	-2	1	331.350	-1.218	20	30		EAEDML
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)Cc1nn[n-]n1	ZINC001176847046	787874751	/nfs/dbraw/zinc/87/47/51/787874751.db2.gz	FXYDDILFGAMZCA-MRVPVSSYSA-N	-2	1	340.302	-1.715	20	30		EAEDML
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cc1nn[n-]n1	ZINC001176847047	787873729	/nfs/dbraw/zinc/87/37/29/787873729.db2.gz	FXYDDILFGAMZCA-QMMMGPOBSA-N	-2	1	340.302	-1.715	20	30		EAEDML