smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC(N)=[NH2+])c1cc(C(C)=NNC(N)=[NH2+])cc(C(C)=NNC(N)=[NH2+])c1	ZINC000042966731	208297554	/nfs/dbraw/zinc/29/75/54/208297554.db2.gz	WOPZMKMWQXUQAJ-IDSPJYEHSA-N	3	2	372.441	-0.692	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159129492	661735294	/nfs/dbraw/zinc/73/52/94/661735294.db2.gz	AOVJHBBUYQVMQC-CHWSQXEVSA-N	2	2	351.455	-0.765	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159129492	661735291	/nfs/dbraw/zinc/73/52/91/661735291.db2.gz	AOVJHBBUYQVMQC-CHWSQXEVSA-N	2	2	351.455	-0.765	10	30		FBEELP
CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000179082018	659881655	/nfs/dbraw/zinc/88/16/55/659881655.db2.gz	YGDDLAIEQXHFIU-DLBZAZTESA-N	3	2	353.511	-0.063	10	30		FBEELP
CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000179082018	659881649	/nfs/dbraw/zinc/88/16/49/659881649.db2.gz	YGDDLAIEQXHFIU-DLBZAZTESA-N	3	2	353.511	-0.063	10	30		FBEELP
CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000245754588	657728581	/nfs/dbraw/zinc/72/85/81/657728581.db2.gz	YGDDLAIEQXHFIU-IAGOWNOFSA-N	3	2	353.511	-0.063	10	30		FBEELP
CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000245754588	657728574	/nfs/dbraw/zinc/72/85/74/657728574.db2.gz	YGDDLAIEQXHFIU-IAGOWNOFSA-N	3	2	353.511	-0.063	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261656739	658910759	/nfs/dbraw/zinc/91/07/59/658910759.db2.gz	AOVJHBBUYQVMQC-QWHCGFSZSA-N	2	2	351.455	-0.765	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261656739	658910756	/nfs/dbraw/zinc/91/07/56/658910756.db2.gz	AOVJHBBUYQVMQC-QWHCGFSZSA-N	2	2	351.455	-0.765	10	30		FBEELP
CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261717071	658923578	/nfs/dbraw/zinc/92/35/78/658923578.db2.gz	KKZXDDNNOWWVRX-AWEZNQCLSA-N	2	2	354.499	-0.836	10	30		FBEELP
CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261717071	658923576	/nfs/dbraw/zinc/92/35/76/658923576.db2.gz	KKZXDDNNOWWVRX-AWEZNQCLSA-N	2	2	354.499	-0.836	10	30		FBEELP
CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261717075	658923614	/nfs/dbraw/zinc/92/36/14/658923614.db2.gz	KKZXDDNNOWWVRX-CQSZACIVSA-N	2	2	354.499	-0.836	10	30		FBEELP
CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261717075	658923613	/nfs/dbraw/zinc/92/36/13/658923613.db2.gz	KKZXDDNNOWWVRX-CQSZACIVSA-N	2	2	354.499	-0.836	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262513898	659880342	/nfs/dbraw/zinc/88/03/42/659880342.db2.gz	CEFRGNSQIUXJET-CABCVRRESA-N	2	2	353.467	-0.784	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262513898	659880335	/nfs/dbraw/zinc/88/03/35/659880335.db2.gz	CEFRGNSQIUXJET-CABCVRRESA-N	2	2	353.467	-0.784	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262513912	659880404	/nfs/dbraw/zinc/88/04/04/659880404.db2.gz	CEFRGNSQIUXJET-HUUCEWRRSA-N	2	2	353.467	-0.784	10	30		FBEELP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262513912	659880401	/nfs/dbraw/zinc/88/04/01/659880401.db2.gz	CEFRGNSQIUXJET-HUUCEWRRSA-N	2	2	353.467	-0.784	10	30		FBEELP