smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/N=C2/S/C(=C/c3cc(Br)ccc3[O-])C(=O)N2C)cc1	ZINC000033294007	523467105	/nfs/dbraw/zinc/46/71/05/523467105.db2.gz	DEBSUTWVPDQIKN-WOLOTKMDSA-N	-1	3	419.300	4.397	10	30		HIEEHM
COc1cc(CN=Nc2nc3ccccc3nc2Cl)cc(Br)c1[O-]	ZINC000032501693	521996076	/nfs/dbraw/zinc/99/60/76/521996076.db2.gz	DZWCILPTWDLKFQ-UFWORHAWSA-N	-1	3	407.655	4.206	10	30		HIEEHM
COc1ccc(C=[NH+][N-]c2nnc(SCc3c(C)cc(C)cc3C)[n-]2)cc1OC	ZINC000006255207	557696570	/nfs/dbraw/zinc/69/65/70/557696570.db2.gz	SNUOXAUASJZAMY-SSDVNMTOSA-N	-1	3	411.531	4.485	10	30		HIEEHM
Oc1ccccc1C=NNc1nnc(SCc2cccc(Br)c2)[n-]1	ZINC000006335814	557699537	/nfs/dbraw/zinc/69/95/37/557699537.db2.gz	GZVABLYCQJMHPZ-GIJQJNRQSA-N	-1	3	404.293	4.011	10	30		HIEEHM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CCC)cc3)cc2)CCC1	ZINC000033277513	518885016	/nfs/dbraw/zinc/88/50/16/518885016.db2.gz	JHZYYSMWBBQDBK-UHFFFAOYSA-N	-1	3	412.555	4.164	10	30		HIEEHM
CC(C)(C)NC(=O)CSc1nnc([N-][NH+]=Cc2cccc(Oc3ccccc3)c2)[n-]1	ZINC000020467949	558374054	/nfs/dbraw/zinc/37/40/54/558374054.db2.gz	IWXHZWVQPCWXMI-LPYMAVHISA-N	-1	3	424.530	4.050	10	30		HIEEHM
CC(C)(C)NC(=O)CSc1nnc(NN=Cc2cccc(Oc3ccccc3)c2)[n-]1	ZINC000020467949	558374056	/nfs/dbraw/zinc/37/40/56/558374056.db2.gz	IWXHZWVQPCWXMI-LPYMAVHISA-N	-1	3	424.530	4.050	10	30		HIEEHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ncccc2C)cc1	ZINC000028629520	525393184	/nfs/dbraw/zinc/39/31/84/525393184.db2.gz	AXWOCZBERRGNBA-FQEVSTJZSA-N	-1	3	400.434	4.182	10	30		HIEEHM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ncccc2C)cc1	ZINC000028629520	525393195	/nfs/dbraw/zinc/39/31/95/525393195.db2.gz	AXWOCZBERRGNBA-FQEVSTJZSA-N	-1	3	400.434	4.182	10	30		HIEEHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ncccc2C)cc1	ZINC000028629522	525225066	/nfs/dbraw/zinc/22/50/66/525225066.db2.gz	AXWOCZBERRGNBA-HXUWFJFHSA-N	-1	3	400.434	4.182	10	30		HIEEHM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ncccc2C)cc1	ZINC000028629522	525225071	/nfs/dbraw/zinc/22/50/71/525225071.db2.gz	AXWOCZBERRGNBA-HXUWFJFHSA-N	-1	3	400.434	4.182	10	30		HIEEHM
Oc1ccc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[n-]2)c(O)c1	ZINC000006329349	557699471	/nfs/dbraw/zinc/69/94/71/557699471.db2.gz	UWPXQBHIBDFSTF-FBCYGCLPSA-N	-1	3	410.286	4.261	10	30		HIEEHM
CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCc3ccccc3OC)[n-]2)cc1	ZINC000005927866	557681020	/nfs/dbraw/zinc/68/10/20/557681020.db2.gz	LFKZSYYAZCHJGT-HYARGMPZSA-N	-1	3	410.547	4.398	10	30		HIEEHM
COc1ccccc1CSc1nnc(NN=Cc2cccc(Br)c2)[n-]1	ZINC000020274880	558353325	/nfs/dbraw/zinc/35/33/25/558353325.db2.gz	YBKYNUYOBQISGQ-VXLYETTFSA-N	-1	3	418.320	4.314	10	30		HIEEHM
COc1ccccc1CSc1nnc([N-][NH+]=Cc2cccc(Br)c2)[n-]1	ZINC000020274880	558353327	/nfs/dbraw/zinc/35/33/27/558353327.db2.gz	YBKYNUYOBQISGQ-VXLYETTFSA-N	-1	3	418.320	4.314	10	30		HIEEHM