smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@H](O)CO)c2c(=O)[nH]c1=O	ZINC000002520866	570289684	/nfs/dbraw/zinc/28/96/84/570289684.db2.gz	SYVUIEPRFCAFLD-BYPYZUCNSA-N	-1	1	394.304	-4.090	40	30		GAEBMM
NNC(=S)NN/C(C(=O)Nc1cccc(O)c1)=C1/C(=O)[N-]C(=S)NC1=O	ZINC000016958163	527269466	/nfs/dbraw/zinc/26/94/66/527269466.db2.gz	KMTCPUMSBRMKTM-UFWORHAWSA-N	-1	1	395.426	-1.828	40	30		GAEBMM
NNC(=S)NN/C(C(=O)Nc1cccc(O)c1)=C1\C(=O)[N-]C(=S)NC1=O	ZINC000016958163	527269462	/nfs/dbraw/zinc/26/94/62/527269462.db2.gz	KMTCPUMSBRMKTM-UFWORHAWSA-N	-1	1	395.426	-1.828	40	30		GAEBMM
NNC(=S)NNC(C(=O)Nc1cccc(O)c1)=C1C(=O)[N-]C(=S)NC1=O	ZINC000016958163	527269454	/nfs/dbraw/zinc/26/94/54/527269454.db2.gz	KMTCPUMSBRMKTM-UFWORHAWSA-N	-1	1	395.426	-1.828	40	30		GAEBMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O	ZINC000025758775	570419164	/nfs/dbraw/zinc/41/91/64/570419164.db2.gz	SYVUIEPRFCAFLD-SCSAIBSYSA-N	-1	1	394.304	-4.090	40	30		GAEBMM
NNC(=S)NN/C(C(=O)Nc1cccc(O)c1)=C1/C(=O)[N-]C(=S)NC1=O	ZINC000102299854	570288140	/nfs/dbraw/zinc/28/81/40/570288140.db2.gz	KMTCPUMSBRMKTM-UWVJOHFNSA-N	-1	1	395.426	-1.828	40	30		GAEBMM
NNC(=S)NN/C(C(=O)Nc1cccc(O)c1)=C1\C(=O)[N-]C(=S)NC1=O	ZINC000102299854	570288138	/nfs/dbraw/zinc/28/81/38/570288138.db2.gz	KMTCPUMSBRMKTM-UWVJOHFNSA-N	-1	1	395.426	-1.828	40	30		GAEBMM
NNC(=S)NNC(C(=O)Nc1cccc(O)c1)=C1C(=O)[N-]C(=S)NC1=O	ZINC000102299854	570288135	/nfs/dbraw/zinc/28/81/35/570288135.db2.gz	KMTCPUMSBRMKTM-UWVJOHFNSA-N	-1	1	395.426	-1.828	40	30		GAEBMM