smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c(O)c1	ZINC000100795794	569770278	/nfs/dbraw/zinc/77/02/78/569770278.db2.gz	MXOHFNOCOCYZDR-LTGZKZEYSA-N	-3	1	495.535	2.171	40	30		JEEBML
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)C(=O)[N-]C1=S	ZINC000408902674	570069434	/nfs/dbraw/zinc/06/94/34/570069434.db2.gz	PQWAIIBESYCPGN-IZZDOVSWSA-N	-2	1	469.313	2.124	40	30		JEEBML
CC(=O)[N-]S(=O)(=O)c1ccc(N=Nc2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)cc1	ZINC000001563189	194128008	/nfs/dbraw/zinc/12/80/08/194128008.db2.gz	JATLLOZTRRHIRM-UHFFFAOYSA-N	-2	1	477.502	2.274	40	30		JEEBML
C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCC(=O)[O-])cc2Br)C(=O)[N-]C1=S	ZINC000009260204	518824898	/nfs/dbraw/zinc/82/48/98/518824898.db2.gz	FEXAVDMKAZVWCA-IZZDOVSWSA-N	-2	1	469.313	2.124	40	30		JEEBML
NC(=O)C(N=Nc1cc(S(=O)(=O)[O-])ccc1Cl)=N[N-]c1cc(S(=O)(=O)[O-])ccc1Cl	ZINC000104226480	569843365	/nfs/dbraw/zinc/84/33/65/569843365.db2.gz	OLFZUACQMFUNDZ-ZSTRDAJGSA-N	-3	1	496.310	2.481	40	30		JEEBML
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000408948212	570083757	/nfs/dbraw/zinc/08/37/57/570083757.db2.gz	QWWLBGCHYBOXMZ-YVLHZVERSA-N	-3	1	453.476	2.303	40	30		JEEBML
CCN(CC)c1ccc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c(O)c1	ZINC000100795792	569770240	/nfs/dbraw/zinc/77/02/40/569770240.db2.gz	MXOHFNOCOCYZDR-PGMHBOJBSA-N	-3	1	495.535	2.171	40	30		JEEBML
NC(=O)C(N=Nc1cc(S(=O)(=O)[O-])ccc1Cl)=N[N-]c1cc(S(=O)(=O)[O-])ccc1Cl	ZINC000104226467	569843352	/nfs/dbraw/zinc/84/33/52/569843352.db2.gz	OLFZUACQMFUNDZ-PYKWNVJZSA-N	-3	1	496.310	2.481	40	30		JEEBML
O=C([O-])c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1	ZINC000031333264	556396197	/nfs/dbraw/zinc/39/61/97/556396197.db2.gz	GPGLBXMQFQQXDV-UHFFFAOYSA-N	-2	1	454.314	2.092	40	30	in-vitro	JEEBML
O=C([O-])c1ccccc1S(=O)([O-])=NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1	ZINC000031333264	556396200	/nfs/dbraw/zinc/39/62/00/556396200.db2.gz	GPGLBXMQFQQXDV-UHFFFAOYSA-N	-2	1	454.314	2.092	40	30	in-vitro	JEEBML
NC(=O)C(N=Nc1cc(S(=O)(=O)[O-])ccc1Cl)=N[N-]c1cc(S(=O)(=O)[O-])ccc1Cl	ZINC000104226462	569843344	/nfs/dbraw/zinc/84/33/44/569843344.db2.gz	OLFZUACQMFUNDZ-WQNZTSTFSA-N	-3	1	496.310	2.481	40	30		JEEBML
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000408901991	570069069	/nfs/dbraw/zinc/06/90/69/570069069.db2.gz	DHIUCKYRQIROME-RUDMXATFSA-N	-2	1	459.705	2.379	40	30		JEEBML
NC(=O)C(N=Nc1cc(S(=O)(=O)[O-])ccc1Cl)=N[N-]c1cc(S(=O)(=O)[O-])ccc1Cl	ZINC000104226474	569843398	/nfs/dbraw/zinc/84/33/98/569843398.db2.gz	OLFZUACQMFUNDZ-UCUGPLMPSA-N	-3	1	496.310	2.481	40	30		JEEBML