smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C	ZINC000825435074	607716817	/nfs/dbraw/zinc/71/68/17/607716817.db2.gz	LGOQNYXTPAIJHX-UHFFFAOYSA-N	0	3	379.468	2.854	20	50		GFGDHN
CC[N@@H+](Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C	ZINC000825435074	607716818	/nfs/dbraw/zinc/71/68/18/607716818.db2.gz	LGOQNYXTPAIJHX-UHFFFAOYSA-N	0	3	379.468	2.854	20	50		GFGDHN
CC[N@H+](Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C	ZINC000825435074	607716820	/nfs/dbraw/zinc/71/68/20/607716820.db2.gz	LGOQNYXTPAIJHX-UHFFFAOYSA-N	0	3	379.468	2.854	20	50		GFGDHN
CC[N@@H+](Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C	ZINC000825435074	607716821	/nfs/dbraw/zinc/71/68/21/607716821.db2.gz	LGOQNYXTPAIJHX-UHFFFAOYSA-N	0	3	379.468	2.854	20	50		GFGDHN
O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000826448657	607725286	/nfs/dbraw/zinc/72/52/86/607725286.db2.gz	FJCOGMCHKBWDHL-UHFFFAOYSA-N	0	3	377.452	2.610	20	50		GFGDHN
CC1CC[NH+](C2CCC(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)CC2)CC1	ZINC000824957662	607782272	/nfs/dbraw/zinc/78/22/72/607782272.db2.gz	YRRVKNVJKKHNEV-UHFFFAOYSA-N	0	3	398.515	2.536	20	50		GFGDHN
CC1CC[NH+](C2CCC(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)CC2)CC1	ZINC000824957662	607782273	/nfs/dbraw/zinc/78/22/73/607782273.db2.gz	YRRVKNVJKKHNEV-UHFFFAOYSA-N	0	3	398.515	2.536	20	50		GFGDHN
CCC[N@H+](CC)Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825307685	607340343	/nfs/dbraw/zinc/34/03/43/607340343.db2.gz	LOFRFTXNUIVTOX-UHFFFAOYSA-N	0	3	379.468	2.856	20	50		GFGDHN
CCC[N@@H+](CC)Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825307685	607340344	/nfs/dbraw/zinc/34/03/44/607340344.db2.gz	LOFRFTXNUIVTOX-UHFFFAOYSA-N	0	3	379.468	2.856	20	50		GFGDHN
CC[N@H+](Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C	ZINC000825434632	607342992	/nfs/dbraw/zinc/34/29/92/607342992.db2.gz	CHHPJQAATLMXCS-UHFFFAOYSA-N	0	3	379.468	2.854	20	50		GFGDHN
CC[N@@H+](Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C	ZINC000825434632	607342993	/nfs/dbraw/zinc/34/29/93/607342993.db2.gz	CHHPJQAATLMXCS-UHFFFAOYSA-N	0	3	379.468	2.854	20	50		GFGDHN
O=C(CCCC[NH+]1CCCC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000826406116	607395414	/nfs/dbraw/zinc/39/54/14/607395414.db2.gz	ITMFXMAPKMLAJE-UHFFFAOYSA-N	0	3	397.405	2.595	20	50		GFGDHN
O=C(CCCC[NH+]1CCCC1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000826406116	607395415	/nfs/dbraw/zinc/39/54/15/607395415.db2.gz	ITMFXMAPKMLAJE-UHFFFAOYSA-N	0	3	397.405	2.595	20	50		GFGDHN
CCC[N@H+](CC)Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000825307614	607713776	/nfs/dbraw/zinc/71/37/76/607713776.db2.gz	HLIIYGQMGWGQAG-UHFFFAOYSA-N	0	3	379.468	2.856	20	50		GFGDHN
CCC[N@@H+](CC)Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000825307614	607713778	/nfs/dbraw/zinc/71/37/78/607713778.db2.gz	HLIIYGQMGWGQAG-UHFFFAOYSA-N	0	3	379.468	2.856	20	50		GFGDHN
CCC[N@H+](CC)Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000825307614	607713780	/nfs/dbraw/zinc/71/37/80/607713780.db2.gz	HLIIYGQMGWGQAG-UHFFFAOYSA-N	0	3	379.468	2.856	20	50		GFGDHN
CCC[N@@H+](CC)Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000825307614	607713782	/nfs/dbraw/zinc/71/37/82/607713782.db2.gz	HLIIYGQMGWGQAG-UHFFFAOYSA-N	0	3	379.468	2.856	20	50		GFGDHN