smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000514375916	1071099039	/nfs/dbraw/zinc/09/90/39/1071099039.db2.gz	WRUIFIHYTLAKQN-VBKZILBWSA-N	1	1	552.579	5.335	20	5		KKBDMO
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000514375918	1071099187	/nfs/dbraw/zinc/09/91/87/1071099187.db2.gz	WRUIFIHYTLAKQN-XOBRGWDASA-N	1	1	552.579	5.335	20	5		KKBDMO
CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1c(C)nn(Cc2ccccc2Cl)c1C	ZINC001197310216	1071301149	/nfs/dbraw/zinc/30/11/49/1071301149.db2.gz	PLBPJRWWMIESAP-UHFFFAOYSA-N	1	1	500.002	5.458	20	5		KKBDMO
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000514375915	1071099154	/nfs/dbraw/zinc/09/91/54/1071099154.db2.gz	WRUIFIHYTLAKQN-JLTOFOAXSA-N	1	1	552.579	5.335	20	5		KKBDMO
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000514375917	1071098794	/nfs/dbraw/zinc/09/87/94/1071098794.db2.gz	WRUIFIHYTLAKQN-VLIAUNLRSA-N	1	1	552.579	5.335	20	5		KKBDMO
CCCc1c(C(=O)n2c3ccc(OCC)cc3c(=[NH2+])c3ccc(N)cc32)cnn1-c1ccc(Cl)cc1	ZINC001191986255	1071300060	/nfs/dbraw/zinc/30/00/60/1071300060.db2.gz	XESWNSVWDGQQII-UHFFFAOYSA-N	1	1	500.002	5.735	20	5		KKBDMO