smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c([O-])c(C(c2ccncc2)c2c([O-])n(CC=C)c(=S)[n-]c2=O)c(=O)[n-]c1=S	ZINC000008385490	554568607	/nfs/dbraw/zinc/56/86/07/554568607.db2.gz	IUDRFAJQYDUQFU-CHWSQXEVSA-N	-4	3	457.537	1.370	50	30		JDEAHL
C=CCn1c([O-])c(C(c2ccncc2)c2c([O-])n(CC=C)c(=S)[n-]c2=O)c(=O)[n-]c1=S	ZINC000008385494	554568585	/nfs/dbraw/zinc/56/85/85/554568585.db2.gz	IUDRFAJQYDUQFU-OLZOCXBDSA-N	-4	3	457.537	1.370	50	30		JDEAHL
[O-]c1c(I)cc(I)cc1CN=Nc1nnn[n-]1	ZINC000013562078	555496156	/nfs/dbraw/zinc/49/61/56/555496156.db2.gz	ACMCKBOGSOTXJG-QDEBKDIKSA-N	-2	3	455.985	1.561	50	30		JDEAHL
[O-]c1c(I)cc(I)cc1CN=Nc1nn[n-]n1	ZINC000013562078	555496157	/nfs/dbraw/zinc/49/61/57/555496157.db2.gz	ACMCKBOGSOTXJG-QDEBKDIKSA-N	-2	3	455.985	1.561	50	30		JDEAHL
C=CCn1c([O-])c(C(c2ccncc2)c2c([O-])n(CC=C)c(=S)[n-]c2=O)c(=O)[n-]c1=S	ZINC000008385492	554568663	/nfs/dbraw/zinc/56/86/63/554568663.db2.gz	IUDRFAJQYDUQFU-STQMWFEESA-N	-4	3	457.537	1.370	50	30		JDEAHL
O=C1[N-]C(=O)C(=NNc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)C(=O)N1	ZINC000009507734	555292661	/nfs/dbraw/zinc/29/26/61/555292661.db2.gz	INZRHGSVWGRHBM-UHFFFAOYSA-N	-2	3	456.267	1.928	50	30		JDEAHL
C=CCn1c([O-])c([C@@H](c2ccccn2)c2c([O-])nc([S-])n(CC=C)c2=O)c(=O)nc1[S-]	ZINC000101038120	569780235	/nfs/dbraw/zinc/78/02/35/569780235.db2.gz	CLDJBIFCGANEHH-LBPRGKRZSA-N	-4	3	457.537	1.736	50	30		JDEAHL
C=CCn1c([O-])c(C(c2ccncc2)c2c([O-])n(CC=C)c(=S)[n-]c2=O)c(=O)[n-]c1=S	ZINC000008385489	554568666	/nfs/dbraw/zinc/56/86/66/554568666.db2.gz	IUDRFAJQYDUQFU-QWHCGFSZSA-N	-4	3	457.537	1.370	50	30		JDEAHL
Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000009282988	555053186	/nfs/dbraw/zinc/05/31/86/555053186.db2.gz	UFUVJVMRUHEFMW-UHFFFAOYSA-N	-2	3	480.300	1.692	50	30		JDEAHL