smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NC(=[NH2+])Nc1cccc(NC(=[NH2+])NC(N)=[NH2+])c1	ZINC000169571143	373018881	/nfs/dbraw/zinc/01/88/81/373018881.db2.gz	LUJFXVZOWJTVDK-UHFFFAOYSA-N	4	2	276.308	-1.874	10	30		CAEELP
C#CCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038031310	174024357	/nfs/dbraw/zinc/02/43/57/174024357.db2.gz	HQTCIWZTQCFVLO-UHFFFAOYSA-N	2	2	252.318	-1.901	10	30		CAEELP
C#CCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038031310	174024358	/nfs/dbraw/zinc/02/43/58/174024358.db2.gz	HQTCIWZTQCFVLO-UHFFFAOYSA-N	2	2	252.318	-1.901	10	30		CAEELP
CN(CCC#N)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038031436	174026278	/nfs/dbraw/zinc/02/62/78/174026278.db2.gz	NSKPOCUHBYCTQZ-UHFFFAOYSA-N	2	2	281.360	-1.278	10	30		CAEELP
CN(CCC#N)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038031436	174026279	/nfs/dbraw/zinc/02/62/79/174026279.db2.gz	NSKPOCUHBYCTQZ-UHFFFAOYSA-N	2	2	281.360	-1.278	10	30		CAEELP
CNC(=O)CNC(=[NH+]C)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000262458640	330014532	/nfs/dbraw/zinc/01/45/32/330014532.db2.gz	LWWHXRIIRWYNCB-LLVKDONJSA-N	2	2	283.376	-1.286	10	30		CAEELP
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@H+](C)CCO1	ZINC000170913313	329072278	/nfs/dbraw/zinc/07/22/78/329072278.db2.gz	BDVJNOBRFJWHTB-CYBMUJFWSA-N	2	2	299.419	-1.186	10	30		CAEELP
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000170913313	329072279	/nfs/dbraw/zinc/07/22/79/329072279.db2.gz	BDVJNOBRFJWHTB-CYBMUJFWSA-N	2	2	299.419	-1.186	10	30		CAEELP
C[N@H+](CC(=O)NCC#N)CC(=O)N1CC[NH2+]CC1	ZINC000038031323	174025034	/nfs/dbraw/zinc/02/50/34/174025034.db2.gz	LSURVXXXCGTDDO-UHFFFAOYSA-N	2	2	253.306	-2.010	10	30		CAEELP
C[N@@H+](CC(=O)NCC#N)CC(=O)N1CC[NH2+]CC1	ZINC000038031323	174025035	/nfs/dbraw/zinc/02/50/35/174025035.db2.gz	LSURVXXXCGTDDO-UHFFFAOYSA-N	2	2	253.306	-2.010	10	30		CAEELP
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1C[N@H+](C)CCO1	ZINC000170913315	329072433	/nfs/dbraw/zinc/07/24/33/329072433.db2.gz	BDVJNOBRFJWHTB-ZDUSSCGKSA-N	2	2	299.419	-1.186	10	30		CAEELP
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1C[N@@H+](C)CCO1	ZINC000170913315	329072434	/nfs/dbraw/zinc/07/24/34/329072434.db2.gz	BDVJNOBRFJWHTB-ZDUSSCGKSA-N	2	2	299.419	-1.186	10	30		CAEELP
CNC(=O)CNC(=[NH+]C)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000262458644	330014429	/nfs/dbraw/zinc/01/44/29/330014429.db2.gz	LWWHXRIIRWYNCB-NSHDSACASA-N	2	2	283.376	-1.286	10	30		CAEELP