smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)c([O-])c1	ZINC000007890660	425653748	/nfs/dbraw/zinc/65/37/48/425653748.db2.gz	OMJCHZSIEAYFBS-LICLKQGHSA-N	-2	3	300.314	2.935	40	30		DFEBHL
C/C(=N\[O-])c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000005392732	181238634	/nfs/dbraw/zinc/23/86/34/181238634.db2.gz	SXJKWXXYWIRQAU-FOWTUZBSSA-N	-2	3	304.371	2.994	40	30		DFEBHL
C/C(=N\[O-])c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000005260152	181223504	/nfs/dbraw/zinc/22/35/04/181223504.db2.gz	WDYZUIPQZJLQRV-FOWTUZBSSA-N	-2	3	304.371	2.994	40	30		DFEBHL
[O-]c1cc(O)ccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000051376734	425883257	/nfs/dbraw/zinc/88/32/57/425883257.db2.gz	MVSQTHLGAZOAJC-SXGWCWSVSA-N	-2	3	312.354	2.901	40	30		DFEBHL
C/C(=N\[O-])c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000005260173	181223657	/nfs/dbraw/zinc/22/36/57/181223657.db2.gz	LEFORSFUQURHKN-FOWTUZBSSA-N	-2	3	304.371	2.994	40	30		DFEBHL
Cc1n[n-]c(=S)n1N=Cc1cc(Br)ccc1[O-]	ZINC000005410217	279053457	/nfs/dbraw/zinc/05/34/57/279053457.db2.gz	VQVLDNVJTMFMNL-LFYBBSHMSA-N	-2	3	313.180	2.599	40	30		DFEBHL
CCc1n[n-]c(=S)n1N=Cc1cc(Cl)c([O-])c(OC)c1	ZINC000008182918	333009267	/nfs/dbraw/zinc/00/92/67/333009267.db2.gz	RWUKEPXNERIGNP-MKMNVTDBSA-N	-2	3	312.782	2.753	40	30		DFEBHL
Cc1n[n-]c(=S)n1N=Cc1ccc([O-])c(Br)c1	ZINC000045926739	398689924	/nfs/dbraw/zinc/68/99/24/398689924.db2.gz	BFNBHVCGGRYRID-LFYBBSHMSA-N	-2	3	313.180	2.599	40	30		DFEBHL