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)(O)C(C)(C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000824166295	609140629	/nfs/dbraw/zinc/14/06/29/609140629.db2.gz	GYLOKPROHMPCSX-UHFFFAOYSA-N	0	3	361.406	-0.233	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1[NH+](C)C	ZINC000824984651	608319877	/nfs/dbraw/zinc/31/98/77/608319877.db2.gz	LTFCVAMBCBQKPJ-BXUZGUMPSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1[NH+](C)C	ZINC000824984651	608319875	/nfs/dbraw/zinc/31/98/75/608319875.db2.gz	LTFCVAMBCBQKPJ-BXUZGUMPSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1[NH+](C)C	ZINC000824984652	608320279	/nfs/dbraw/zinc/32/02/79/608320279.db2.gz	LTFCVAMBCBQKPJ-FZMZJTMJSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1[NH+](C)C	ZINC000824984652	608320278	/nfs/dbraw/zinc/32/02/78/608320278.db2.gz	LTFCVAMBCBQKPJ-FZMZJTMJSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1[NH+](C)C	ZINC000824984653	608319766	/nfs/dbraw/zinc/31/97/66/608319766.db2.gz	LTFCVAMBCBQKPJ-RISCZKNCSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1[NH+](C)C	ZINC000824984653	608319765	/nfs/dbraw/zinc/31/97/65/608319765.db2.gz	LTFCVAMBCBQKPJ-RISCZKNCSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1[NH+](C)C	ZINC000824984654	608319791	/nfs/dbraw/zinc/31/97/91/608319791.db2.gz	LTFCVAMBCBQKPJ-SMDDNHRTSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1[NH+](C)C	ZINC000824984654	608319789	/nfs/dbraw/zinc/31/97/89/608319789.db2.gz	LTFCVAMBCBQKPJ-SMDDNHRTSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1[NH+](C)C	ZINC000824985037	608320287	/nfs/dbraw/zinc/32/02/87/608320287.db2.gz	QMUNLNYUKJZQNR-BXUZGUMPSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1[NH+](C)C	ZINC000824985037	608320284	/nfs/dbraw/zinc/32/02/84/608320284.db2.gz	QMUNLNYUKJZQNR-BXUZGUMPSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1[NH+](C)C	ZINC000824985038	608319757	/nfs/dbraw/zinc/31/97/57/608319757.db2.gz	QMUNLNYUKJZQNR-FZMZJTMJSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1[NH+](C)C	ZINC000824985038	608319756	/nfs/dbraw/zinc/31/97/56/608319756.db2.gz	QMUNLNYUKJZQNR-FZMZJTMJSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1[NH+](C)C	ZINC000824985039	608319963	/nfs/dbraw/zinc/31/99/63/608319963.db2.gz	QMUNLNYUKJZQNR-RISCZKNCSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1[NH+](C)C	ZINC000824985039	608319961	/nfs/dbraw/zinc/31/99/61/608319961.db2.gz	QMUNLNYUKJZQNR-RISCZKNCSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1[NH+](C)C	ZINC000824985040	608319719	/nfs/dbraw/zinc/31/97/19/608319719.db2.gz	QMUNLNYUKJZQNR-SMDDNHRTSA-N	0	3	372.433	-0.490	20	50		FBGDHN
C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1[NH+](C)C	ZINC000824985040	608319717	/nfs/dbraw/zinc/31/97/17/608319717.db2.gz	QMUNLNYUKJZQNR-SMDDNHRTSA-N	0	3	372.433	-0.490	20	50		FBGDHN
CN(CC[NH+]1CCCC1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000825938408	608033149	/nfs/dbraw/zinc/03/31/49/608033149.db2.gz	RZOXAPPQIYMDNG-UHFFFAOYSA-N	0	3	372.433	-0.345	20	50		FBGDHN
Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc(-c2nn[n-]n2)n1C	ZINC000826235683	607777136	/nfs/dbraw/zinc/77/71/36/607777136.db2.gz	OWPYHHJIIBTHEK-JIOITTSWSA-N	0	3	372.433	-0.151	20	50		FBGDHN
Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C[NH+](C)C)cc(-c2nn[n-]n2)n1C	ZINC000826235684	607777044	/nfs/dbraw/zinc/77/70/44/607777044.db2.gz	OWPYHHJIIBTHEK-LBWZGELYSA-N	0	3	372.433	-0.151	20	50		FBGDHN
Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C[NH+](C)C)cc(-c2nn[n-]n2)n1C	ZINC000826235685	607777206	/nfs/dbraw/zinc/77/72/06/607777206.db2.gz	OWPYHHJIIBTHEK-SDTVSMOJSA-N	0	3	372.433	-0.151	20	50		FBGDHN
Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc(-c2nn[n-]n2)n1C	ZINC000826235686	607777084	/nfs/dbraw/zinc/77/70/84/607777084.db2.gz	OWPYHHJIIBTHEK-YBSJANCESA-N	0	3	372.433	-0.151	20	50		FBGDHN