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)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(Cc1ccccc1[O-])C3)[C@H](O)[C@@H]2O	ZINC000097976612	553971684	/nfs/dbraw/zinc/97/16/84/553971684.db2.gz	RIDQRFDMOHAVTI-ZJMRJBKSSA-N	-1	3	588.702	-0.164	40	10		KBCBHM
COc1ccc(C(=O)N2C[C@H]3O[C@@H](CC(=O)N[C@H]4C[C@@H](C(=O)N5CCO[C@H](C2)C5)N(Cc2ccccc2[O-])C4)[C@H](O)[C@@H]3O)cc1	ZINC000097976669	553972068	/nfs/dbraw/zinc/97/20/68/553972068.db2.gz	QDYUGXHMUFQDQH-NHDJFNNMSA-N	-1	3	624.691	-0.277	40	10		KBCBHM
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3Cc3ccc(F)c(F)c3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3[O-])N1)[C@@H](O)[C@H]2O	ZINC000225436048	571804204	/nfs/dbraw/zinc/80/42/04/571804204.db2.gz	LFXYMELUYQSQKU-FLIBBYGBSA-N	-1	3	629.661	-0.548	40	10		KBCBHM
O=C1C[C@@H]2O[C@H](CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3[O-])N1)[C@@H](O)[C@H]2O	ZINC000225443449	571814344	/nfs/dbraw/zinc/81/43/44/571814344.db2.gz	WWDQMRPGGSJQSA-ZHOJGHLISA-N	-1	3	648.710	-0.598	40	10		KBCBHM