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=N/c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000005321847	563526408	/nfs/dbraw/zinc/52/64/08/563526408.db2.gz	DAWFNCWIUFRMFM-FMQUCBEESA-N	-2	0	341.367	4.345	40	10		EICBRL
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000408863309	564007712	/nfs/dbraw/zinc/00/77/12/564007712.db2.gz	LSWTVUZPJKLDLK-GJYPPUQNSA-N	-2	0	349.386	4.218	40	10		EICBRL
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409163509	564010689	/nfs/dbraw/zinc/01/06/89/564010689.db2.gz	SNRXUMQDFGYXDI-TYILLQQXSA-N	-2	0	349.386	4.218	40	10		EICBRL
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409163508	564010691	/nfs/dbraw/zinc/01/06/91/564010691.db2.gz	SNRXUMQDFGYXDI-LPMFXHHGSA-N	-2	0	349.386	4.218	40	10		EICBRL
O=C([O-])c1ccc(NN=C2C=CC(=O)c3ccccc32)cc1C(=O)[O-]	ZINC000005604883	210499055	/nfs/dbraw/zinc/49/90/55/210499055.db2.gz	VGXCCYXQUBBPKX-FMQUCBEESA-N	-2	0	336.303	4.357	40	10		EICBRL
O=C([O-])c1ccc(NN=C2C(=O)C(C(=O)[O-])=Cc3ccccc32)cc1	ZINC000005003707	210359333	/nfs/dbraw/zinc/35/93/33/210359333.db2.gz	CCBRIAPVSFEYJE-FMQUCBEESA-N	-2	0	336.303	4.357	40	10		EICBRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409151432	257877098	/nfs/dbraw/zinc/87/70/98/257877098.db2.gz	BIMXXFCRUQIDSI-VPZZIHKRSA-N	-2	0	349.386	4.218	40	10		EICBRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000409172910	257876528	/nfs/dbraw/zinc/87/65/28/257876528.db2.gz	GMCAGEWRVQBZGN-ZRGWGRIASA-N	-2	0	349.386	4.218	40	10		EICBRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409151431	564010543	/nfs/dbraw/zinc/01/05/43/564010543.db2.gz	BIMXXFCRUQIDSI-NQCMUKECSA-N	-2	0	349.386	4.218	40	10		EICBRL
O=C([O-])c1ccc(NN=C2C(=O)C=Cc3ccccc32)cc1C(=O)[O-]	ZINC000005604948	563542573	/nfs/dbraw/zinc/54/25/73/563542573.db2.gz	CIJUMQWQLRCXDZ-FMQUCBEESA-N	-2	0	336.303	4.357	40	10		EICBRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000409172907	564010752	/nfs/dbraw/zinc/01/07/52/564010752.db2.gz	GMCAGEWRVQBZGN-SPYBWZPUSA-N	-2	0	349.386	4.218	40	10		EICBRL