smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=CC(=O)NN1CC[NH+](C)CC1)NN1CC[NH+](C)CC1	ZINC000005620786	170121073	/nfs/dbraw/zinc/12/10/73/170121073.db2.gz	YIQJCCWMSAOYEC-FYWRMAATSA-N	2	2	296.419	-0.722	40	30		CBEBLP
CC(C=NNC1=[NH+]CCCN1)=NNC1=[NH+]CCCN1	ZINC000104309877	351790343	/nfs/dbraw/zinc/79/03/43/351790343.db2.gz	ULHBLNLYPOIXDV-VAQFQWRASA-N	2	2	264.337	-0.774	40	30		CBEBLP
CC(C=NNC1=[NH+]CCCN1)=NNC1=[NH+]CCCN1	ZINC000008665445	170344724	/nfs/dbraw/zinc/34/47/24/170344724.db2.gz	ULHBLNLYPOIXDV-WIBPKFNESA-N	2	2	264.337	-0.774	40	30		CBEBLP
CC(C=NNC1=[NH+]CCCN1)=NNC1=[NH+]CCCN1	ZINC000104309882	351790288	/nfs/dbraw/zinc/79/02/88/351790288.db2.gz	ULHBLNLYPOIXDV-JCDHFMOQSA-N	2	2	264.337	-0.774	40	30		CBEBLP
CC(C=NNC1=[NH+]CCCN1)=NNC1=[NH+]CCCN1	ZINC000018154524	351347663	/nfs/dbraw/zinc/34/76/63/351347663.db2.gz	ULHBLNLYPOIXDV-GONBZBRSSA-N	2	2	264.337	-0.774	40	30		CBEBLP
C#CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNS(C)(=O)=O	ZINC000020503931	351353439	/nfs/dbraw/zinc/35/34/39/351353439.db2.gz	SKRPBSTWXBATNS-MELADBBJSA-N	2	2	299.440	-0.189	40	30	biogenic,in-vitro	CBEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNS(C)(=O)=O	ZINC000020503931	351353443	/nfs/dbraw/zinc/35/34/43/351353443.db2.gz	SKRPBSTWXBATNS-MELADBBJSA-N	2	2	299.440	-0.189	40	30	biogenic,in-vitro	CBEBLP
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(C)(=O)=O	ZINC000020503931	351353446	/nfs/dbraw/zinc/35/34/46/351353446.db2.gz	SKRPBSTWXBATNS-MELADBBJSA-N	2	2	299.440	-0.189	40	30	biogenic,in-vitro	CBEBLP