smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1OC(c2ccccc2)=C/C1=C\c1c([O-])ccc2ccccc12	ZINC000409050852	257224129	/nfs/dbraw/zinc/22/41/29/257224129.db2.gz	BGHJAMDNUCUTFP-FOWTUZBSSA-N	-1	3	314.340	4.527	40	10		DJCBHM
CC[C@@H](c1ccc(O)c(O)c1)[C@H](CC)c1ccc([O-])c(F)c1	ZINC000002048447	563298639	/nfs/dbraw/zinc/29/86/39/563298639.db2.gz	KQEVCJREQULIOL-KGLIPLIRSA-N	-1	3	304.361	4.630	40	10		DJCBHM
O=C1OC(c2cccs2)=C/C1=C\c1c([O-])ccc2ccccc21	ZINC000409052509	257224050	/nfs/dbraw/zinc/22/40/50/257224050.db2.gz	ICYHFKOSRBECMT-JLHYYAGUSA-N	-1	3	320.369	4.588	40	10		DJCBHM
Cc1ccc(C2=NN[C@H](c3c([O-])ccc4ccccc43)S2)cc1	ZINC000059488127	563771686	/nfs/dbraw/zinc/77/16/86/563771686.db2.gz	CZLRBPJYUXYMAP-IBGZPJMESA-N	-1	3	320.417	4.551	40	10		DJCBHM
Cc1cc2nc(-c3ccc(-n4cccc4)cc3[O-])oc2cc1C	ZINC000226281886	563913769	/nfs/dbraw/zinc/91/37/69/563913769.db2.gz	PJISTDOWSJEYAL-UHFFFAOYSA-N	-1	3	304.349	4.608	40	10		DJCBHM
CC[C@H](c1ccc(O)c(O)c1)[C@H](CC)c1ccc([O-])c(F)c1	ZINC000001664652	563924917	/nfs/dbraw/zinc/92/49/17/563924917.db2.gz	KQEVCJREQULIOL-ZIAGYGMSSA-N	-1	3	304.361	4.630	40	10		DJCBHM
CC[C@@H](c1ccc([O-])c(F)c1)[C@H](CC)c1ccc(O)c(O)c1	ZINC000001664651	563289918	/nfs/dbraw/zinc/28/99/18/563289918.db2.gz	KQEVCJREQULIOL-UONOGXRCSA-N	-1	3	304.361	4.630	40	10		DJCBHM
[O-]c1ccc(O)c2c1N=NC21c2ccccc2Oc2ccccc21	ZINC000005732118	181278490	/nfs/dbraw/zinc/27/84/90/181278490.db2.gz	WZGLLGFNWAQZNW-UHFFFAOYSA-N	-1	3	316.316	4.593	40	10		DJCBHM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1	ZINC000112109503	563651626	/nfs/dbraw/zinc/65/16/26/563651626.db2.gz	FAOCRSMOURLTOZ-CYVLTUHYSA-N	-1	3	319.408	4.575	40	10		DJCBHM
Cc1cc2nc(-c3ccc(-n4cccc4)cc3[O-])oc2c(C)c1	ZINC000226281879	563913786	/nfs/dbraw/zinc/91/37/86/563913786.db2.gz	UDISTSDKBMLULG-UHFFFAOYSA-N	-1	3	304.349	4.608	40	10		DJCBHM
[O-]c1cc(-n2cccc2)ccc1-c1nc2cc(Cl)ccc2o1	ZINC000226281927	563913740	/nfs/dbraw/zinc/91/37/40/563913740.db2.gz	YQNVBRFBPLFXIV-UHFFFAOYSA-N	-1	3	310.740	4.645	40	10		DJCBHM
CC[C@@H](c1ccc(O)c(O)c1)[C@@H](CC)c1ccc([O-])c(F)c1	ZINC000002048446	563298487	/nfs/dbraw/zinc/29/84/87/563298487.db2.gz	KQEVCJREQULIOL-KBPBESRZSA-N	-1	3	304.361	4.630	40	10		DJCBHM
Cc1ccc(C2=NN[C@@H](c3c([O-])ccc4ccccc43)S2)cc1	ZINC000059488128	563771813	/nfs/dbraw/zinc/77/18/13/563771813.db2.gz	CZLRBPJYUXYMAP-LJQANCHMSA-N	-1	3	320.417	4.551	40	10		DJCBHM
CCc1ccc2oc(-c3ccc(-n4cccc4)cc3[O-])nc2c1	ZINC000226281906	563913717	/nfs/dbraw/zinc/91/37/17/563913717.db2.gz	FLULKCPUPOZMHL-UHFFFAOYSA-N	-1	3	304.349	4.554	40	10		DJCBHM