smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCO1	ZINC000262119177	165295108	/nfs/dbraw/zinc/29/51/08/165295108.db2.gz	LUGGUAIQAYENRK-CYBMUJFWSA-N	-1	1	334.332	0.688	10	30		ECEEMM
Cc1[nH][n-]c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012575570	436051568	/nfs/dbraw/zinc/05/15/68/436051568.db2.gz	DDPZEPQYFCYPQW-UHFFFAOYSA-N	-1	1	335.389	0.745	10	30		ECEEMM
N#Cc1cncc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)c1	ZINC000584596543	439603405	/nfs/dbraw/zinc/60/34/05/439603405.db2.gz	JOACDQBBZNEWRY-UHFFFAOYSA-N	-1	1	327.329	0.448	10	30		ECEEMM
N#Cc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1[O-]	ZINC000188525393	437555358	/nfs/dbraw/zinc/55/53/58/437555358.db2.gz	XUEQKOKMLUJPNO-UHFFFAOYSA-N	-1	1	349.354	0.664	10	30		ECEEMM
C[N@H+](CC(=O)[O-])C[C@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCO1	ZINC000262119181	165294414	/nfs/dbraw/zinc/29/44/14/165294414.db2.gz	LUGGUAIQAYENRK-ZDUSSCGKSA-N	-1	1	334.332	0.688	10	30		ECEEMM
C=CCNC(=S)NNC(C)=C1C(=O)[N-]C(=S)N(CC=C)C1=O	ZINC000103585785	219314882	/nfs/dbraw/zinc/31/48/82/219314882.db2.gz	NLKZSCFICSDQSJ-PTPOTIKZSA-N	-1	1	339.446	0.058	10	30		ECEEMM
Cc1cc(C)n(-c2nnc(=NN=C3c4ccccc4N(C)C3=O)[n-]n2)n1	ZINC000020353099	202039515	/nfs/dbraw/zinc/03/95/15/202039515.db2.gz	JDOCELJNUVXRIV-GHRIWEEISA-N	-1	1	349.358	0.862	10	30		ECEEMM
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]Cc1nc(C)cc(=O)[n-]1)C2	ZINC000067921823	609807647	/nfs/dbraw/zinc/80/76/47/609807647.db2.gz	IRLXDGBYUQMJLL-LLVKDONJSA-N	-1	1	343.387	0.806	10	30		ECEEMM
CCCCCCCC(=O)NCC[N@@H+](CCOCC(=O)[O-])CC(=O)[O-]	ZINC000100051317	436546244	/nfs/dbraw/zinc/54/62/44/436546244.db2.gz	AYVURSOEGHIHDH-UHFFFAOYSA-N	-1	1	346.424	0.951	10	30		ECEEMM
C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]Cc1nc(C)cc(=O)[n-]1)C2	ZINC000067921824	609807714	/nfs/dbraw/zinc/80/77/14/609807714.db2.gz	IRLXDGBYUQMJLL-NSHDSACASA-N	-1	1	343.387	0.806	10	30		ECEEMM
C=CCNC(=S)NNC(C)=C1C(=O)[N-]C(=S)N(CC=C)C1=O	ZINC000103585789	219314519	/nfs/dbraw/zinc/31/45/19/219314519.db2.gz	NLKZSCFICSDQSJ-VKPPLCHCSA-N	-1	1	339.446	0.058	10	30		ECEEMM