smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1[C@@H](Cc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300546	562647437	/nfs/dbraw/zinc/64/74/37/562647437.db2.gz	ZKQIMZLNOXBJLE-HSZRJFAPSA-N	1	0	536.633	3.804	40	70		KHIBRO
COc1cccc([C@H](Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300598	562647423	/nfs/dbraw/zinc/64/74/23/562647423.db2.gz	XATBCJYYWCCTQR-QHCPKHFHSA-N	1	0	552.632	3.504	40	70		KHIBRO
COc1ccccc1[C@H](Cc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043307382	562647523	/nfs/dbraw/zinc/64/75/23/562647523.db2.gz	NEROVILGNUVAAL-QFIPXVFZSA-N	1	0	552.632	3.504	40	70		KHIBRO
Cc1ccc([C@@H](Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307551	562647590	/nfs/dbraw/zinc/64/75/90/562647590.db2.gz	LZDBUFATYNEMLR-HSZRJFAPSA-N	1	0	536.633	3.804	40	70		KHIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216804060	571598252	/nfs/dbraw/zinc/59/82/52/571598252.db2.gz	HMMDWGMBPNJZDU-UHFFFAOYSA-N	1	0	514.873	3.504	40	70		KHIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216806512	571598274	/nfs/dbraw/zinc/59/82/74/571598274.db2.gz	MNWWYXVYTRFVRS-UHFFFAOYSA-N	1	0	514.873	3.504	40	70		KHIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216807838	571598447	/nfs/dbraw/zinc/59/84/47/571598447.db2.gz	MHZGJAHPCZKNHN-UHFFFAOYSA-N	1	0	514.873	3.504	40	70		KHIBRO
COC(=O)C[C@H](c1cccc(Br)c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218068107	571603219	/nfs/dbraw/zinc/60/32/19/571603219.db2.gz	ISIJDXLRYDZWAH-YRISNDGFSA-N	1	0	555.425	3.584	40	70		KHIBRO
COC(=O)C[C@@H](c1cccc(Br)c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218068186	571603228	/nfs/dbraw/zinc/60/32/28/571603228.db2.gz	ISIJDXLRYDZWAH-CDXJDZJCSA-N	1	0	555.425	3.584	40	70		KHIBRO