smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013342865	494285357	/nfs/dbraw/zinc/28/53/57/494285357.db2.gz	OAHKAWNIJOIDTE-UHFFFAOYSA-N	-2	1	374.187	3.087	10	0		FGAEML
O=C([O-])C(=S)Cc1cc(Br)cc(Br)c1[O-]	ZINC000145004665	495551956	/nfs/dbraw/zinc/55/19/56/495551956.db2.gz	IGHGYNSMJCWJCA-UQCOIBPSSA-N	-2	1	354.019	3.273	10	0		FGAEML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)c1	ZINC000196551904	205174775	/nfs/dbraw/zinc/17/47/75/205174775.db2.gz	LSPLUSOVSQJPAQ-UHFFFAOYSA-N	-2	1	353.399	3.437	10	0		FGAEML
O=C([O-])c1cccc(Nc2cc(-c3ccccc3)nc(=N[N+](=O)[O-])[n-]2)c1	ZINC000073683888	526393627	/nfs/dbraw/zinc/39/36/27/526393627.db2.gz	UXKZLAMPNQRXRF-UHFFFAOYSA-N	-2	1	351.322	3.189	10	0		FGAEML
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000012970488	695608825	/nfs/dbraw/zinc/60/88/25/695608825.db2.gz	QGPAJLKBWDKVMD-UHFFFAOYSA-N	-2	1	374.187	3.087	10	0		FGAEML
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000013342867	494285659	/nfs/dbraw/zinc/28/56/59/494285659.db2.gz	ZCVWFBAYWFAVSH-UHFFFAOYSA-N	-2	1	374.187	3.087	10	0		FGAEML
C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CC(=O)[O-]	ZINC000147280251	495574192	/nfs/dbraw/zinc/57/41/92/495574192.db2.gz	ZAMRBRZVOAZMQG-LURJTMIESA-N	-2	1	360.646	3.036	10	0		FGAEML
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000013313222	695609798	/nfs/dbraw/zinc/60/97/98/695609798.db2.gz	NJFRIQVNARRXKP-UHFFFAOYSA-N	-2	1	374.187	3.087	10	0		FGAEML
COc1cc([N-]S(=O)(=O)c2ccccc2)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226352802	497082994	/nfs/dbraw/zinc/08/29/94/497082994.db2.gz	RPSNCFVBJJFZKZ-UHFFFAOYSA-N	-2	1	373.386	3.454	10	0		FGAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1O	ZINC000226861697	497086273	/nfs/dbraw/zinc/08/62/73/497086273.db2.gz	PXRZWQLGYJZJPU-UHFFFAOYSA-N	-2	1	369.398	3.143	10	0		FGAEML
Cc1c([O-])c(Br)c([O-])c2c(C)c(Br)c(=O)oc12	ZINC000584631133	507434512	/nfs/dbraw/zinc/43/45/12/507434512.db2.gz	HKZRZEMVMBJASV-UHFFFAOYSA-N	-2	1	363.989	3.346	10	0		FGAEML
C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CC(=O)[O-]	ZINC000147280359	495574597	/nfs/dbraw/zinc/57/45/97/495574597.db2.gz	ZAMRBRZVOAZMQG-ZCFIWIBFSA-N	-2	1	360.646	3.036	10	0		FGAEML
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C(=O)[O-]	ZINC000085344767	571112041	/nfs/dbraw/zinc/11/20/41/571112041.db2.gz	DLXWQIBQEPPUAC-JTQLQIEISA-N	-2	1	360.646	3.034	10	0		FGAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1	ZINC000196551889	222624097	/nfs/dbraw/zinc/62/40/97/222624097.db2.gz	LPQPGWXBXBYEGT-UHFFFAOYSA-N	-2	1	353.399	3.437	10	0		FGAEML
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCC(=O)[O-]	ZINC000016919791	220196911	/nfs/dbraw/zinc/19/69/11/220196911.db2.gz	NNILKXIXMLUMRH-XYOKQWHBSA-N	-2	1	353.421	3.268	10	0		FGAEML
COc1cccc2c1Oc1nc(-c3ccc(C(=O)[O-])cc3)[n-]c(=O)c1C2	ZINC000073666103	205033608	/nfs/dbraw/zinc/03/36/08/205033608.db2.gz	AFILWXHAGTZSNS-UHFFFAOYSA-N	-2	1	350.330	3.253	10	0		FGAEML
CC(C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000097255065	495029286	/nfs/dbraw/zinc/02/92/86/495029286.db2.gz	URDCFQDHVWOQKK-NSHDSACASA-N	-2	1	368.480	3.029	10	0		FGAEML
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C(=O)[O-]	ZINC000085344769	205167858	/nfs/dbraw/zinc/16/78/58/205167858.db2.gz	DLXWQIBQEPPUAC-SNVBAGLBSA-N	-2	1	360.646	3.034	10	0		FGAEML
O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000037742541	494108430	/nfs/dbraw/zinc/10/84/30/494108430.db2.gz	YKMKJMITICRGET-UHFFFAOYSA-N	-2	1	374.187	3.087	10	0		FGAEML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)CC2	ZINC000226862070	209367988	/nfs/dbraw/zinc/36/79/88/209367988.db2.gz	HHIGDXCISIDPEU-UHFFFAOYSA-N	-2	1	353.399	3.437	10	0		FGAEML
O=C([O-])c1ccc(Nc2cc(-c3ccccc3)nc(=N[N+](=O)[O-])[n-]2)cc1	ZINC000073683457	526379310	/nfs/dbraw/zinc/37/93/10/526379310.db2.gz	HYSHBMQMYINGCV-UHFFFAOYSA-N	-2	1	351.322	3.189	10	0		FGAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCCC2)cc1	ZINC000003028958	132384609	/nfs/dbraw/zinc/38/46/09/132384609.db2.gz	OFMWCZQKDYLGRA-UHFFFAOYSA-N	-2	1	374.462	3.484	10	0		FGAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])cc1	ZINC000037742534	695755348	/nfs/dbraw/zinc/75/53/48/695755348.db2.gz	MBZLGIFBUHKBQN-UHFFFAOYSA-N	-2	1	370.224	3.257	10	0		FGAEML
CC(C)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000097255063	222170542	/nfs/dbraw/zinc/17/05/42/222170542.db2.gz	URDCFQDHVWOQKK-LLVKDONJSA-N	-2	1	368.480	3.029	10	0		FGAEML
Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])c1	ZINC000013342883	494285430	/nfs/dbraw/zinc/28/54/30/494285430.db2.gz	SAVNNYOWGGMWLB-UHFFFAOYSA-N	-2	1	370.224	3.257	10	0		FGAEML