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)c1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004140399	210130739	/nfs/dbraw/zinc/13/07/39/210130739.db2.gz	AFQXAOUQZPFYDQ-WAOWUJCRSA-N	-1	0	333.431	5.335	1	10		EKCFRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	ZINC000004223037	201594669	/nfs/dbraw/zinc/59/46/69/201594669.db2.gz	XIMHWDQOXFCVJX-OGHNNQOOSA-N	-1	0	343.785	5.004	1	10		EKCFRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	ZINC000004223039	210146370	/nfs/dbraw/zinc/14/63/70/210146370.db2.gz	XIMHWDQOXFCVJX-GDZNZVCISA-N	-1	0	343.785	5.004	1	10		EKCFRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	ZINC000004828570	210290658	/nfs/dbraw/zinc/29/06/58/210290658.db2.gz	XORRMCWMRYNNOM-DINDLPBHSA-N	-1	0	343.785	5.004	1	10		EKCFRM
O=C([O-])CCCSC(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000005887550	201666777	/nfs/dbraw/zinc/66/67/77/201666777.db2.gz	AGHWIWXBCPJTNK-FMQUCBEESA-N	-1	0	343.408	5.232	1	10		EKCFRM
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000020033410	212095783	/nfs/dbraw/zinc/09/57/83/212095783.db2.gz	AFQXAOUQZPFYDQ-DBXWQHBBSA-N	-1	0	333.431	5.335	1	10		EKCFRM
CC(C)(CCCOc1ccc(/N=N/c2ccccc2)cc1)C(=O)[O-]	ZINC000072118646	216012688	/nfs/dbraw/zinc/01/26/88/216012688.db2.gz	OPDJXWIVOBMQMQ-QZQOTICOSA-N	-1	0	326.396	5.372	1	10		EKCFRM
CN1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)cs2)C1=O	ZINC000101757004	204020881	/nfs/dbraw/zinc/02/08/81/204020881.db2.gz	MHUVBYNOQINRTD-QZQOTICOSA-N	-1	0	334.404	5.423	1	10		EKCFRM
CCN1C(=O)C(=NNc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21	ZINC000102322903	219194431	/nfs/dbraw/zinc/19/44/31/219194431.db2.gz	ITZGLLRBXMANQD-VXPUYCOJSA-N	-1	0	343.770	5.134	1	10		EKCFRM
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000111442341	220155103	/nfs/dbraw/zinc/15/51/03/220155103.db2.gz	AFQXAOUQZPFYDQ-LVCYWYKZSA-N	-1	0	333.431	5.335	1	10		EKCFRM