smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001161856469	1067327369	/nfs/dbraw/zinc/32/73/69/1067327369.db2.gz	GDDACKQBOFJFTB-SDQXKECUSA-N	-1	0	451.197	-1.270	20	5		JABDRM
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001161856470	1067327442	/nfs/dbraw/zinc/32/74/42/1067327442.db2.gz	GDDACKQBOFJFTB-UMOARQHTSA-N	-1	0	451.197	-1.270	20	5		JABDRM
CN(C)/C=C/c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ncc1[N+](=O)[O-]	ZINC001161857843	1067328056	/nfs/dbraw/zinc/32/80/56/1067328056.db2.gz	GIEFBFZALVSNLG-NGNKDGMRSA-N	-1	0	450.426	-1.439	20	5		JABDRM
CN(C)/C=C/c1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ncc1[N+](=O)[O-]	ZINC001161857844	1067327969	/nfs/dbraw/zinc/32/79/69/1067327969.db2.gz	GIEFBFZALVSNLG-RQWMUVTLSA-N	-1	0	450.426	-1.439	20	5		JABDRM
Cc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001161858499	1067327840	/nfs/dbraw/zinc/32/78/40/1067327840.db2.gz	MVPUPJJEPJYMEY-LZTJUBIUSA-N	-1	0	472.432	-1.179	20	5		JABDRM
Cc1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001161858500	1067327866	/nfs/dbraw/zinc/32/78/66/1067327866.db2.gz	MVPUPJJEPJYMEY-WDGOXLLCSA-N	-1	0	472.432	-1.179	20	5		JABDRM
CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001161858566	1067328086	/nfs/dbraw/zinc/32/80/86/1067328086.db2.gz	NNLZADARANJVCT-GIBVNIFISA-N	-1	0	453.382	-1.795	20	5		JABDRM
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001161858581	1067328473	/nfs/dbraw/zinc/32/84/73/1067328473.db2.gz	WQNGNECQFGONFH-KZZVGLOUSA-N	-1	0	487.827	-1.141	20	5		JABDRM
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001161858582	1067328427	/nfs/dbraw/zinc/32/84/27/1067328427.db2.gz	WQNGNECQFGONFH-RYDHXWIVSA-N	-1	0	487.827	-1.141	20	5		JABDRM
CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001161858590	1067328347	/nfs/dbraw/zinc/32/83/47/1067328347.db2.gz	NNLZADARANJVCT-GOBQNSBTSA-N	-1	0	453.382	-1.795	20	5		JABDRM
CSc1nc(Cl)nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]	ZINC001161860254	1067328929	/nfs/dbraw/zinc/32/89/29/1067328929.db2.gz	ZVCSFULBAHYSHV-DDLCZTIJSA-N	-1	0	462.846	-1.201	20	5		JABDRM
CSc1nc(Cl)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1[N+](=O)[O-]	ZINC001161860258	1067328798	/nfs/dbraw/zinc/32/87/98/1067328798.db2.gz	ZVCSFULBAHYSHV-QMVWUHKESA-N	-1	0	462.846	-1.201	20	5		JABDRM
CCOC(=O)c1ccnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]	ZINC001161860277	1067328733	/nfs/dbraw/zinc/32/87/33/1067328733.db2.gz	ODTCXGRKQUVEPT-BAYCTPFLSA-N	-1	0	453.382	-1.795	20	5		JABDRM
CCOC(=O)c1ccnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1[N+](=O)[O-]	ZINC001161860278	1067328952	/nfs/dbraw/zinc/32/89/52/1067328952.db2.gz	ODTCXGRKQUVEPT-VICHIFQHSA-N	-1	0	453.382	-1.795	20	5		JABDRM
C[N+](C)(C)C[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O	ZINC001227664268	1067368846	/nfs/dbraw/zinc/36/88/46/1067368846.db2.gz	NMRKPHMVYVGPGI-DOLJIOPLSA-O	-1	0	492.402	-1.732	20	5		JABDRM
C[N+](C)(C)C[C@H](O)CC(=O)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O	ZINC001227664270	1067369169	/nfs/dbraw/zinc/36/91/69/1067369169.db2.gz	NMRKPHMVYVGPGI-GDHWZLSQSA-O	-1	0	492.402	-1.732	20	5		JABDRM