smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@@H]1CCN(c2cc(N)[nH+]c(N3CCCC3)n2)C1	ZINC000071331616	176125196	/nfs/dbraw/zinc/12/51/96/176125196.db2.gz	QKBCZNNMNSXGPE-SNVBAGLBSA-N	2	2	262.361	0.457	1	0		CCAFLP
COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1	ZINC000299842443	333187679	/nfs/dbraw/zinc/18/76/79/333187679.db2.gz	GJSMPDAYYWTZSV-HOCLYGCPSA-N	2	2	291.395	0.861	1	0		CCAFLP
COCC[N@H+]1CCO[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1	ZINC000299842443	333187680	/nfs/dbraw/zinc/18/76/80/333187680.db2.gz	GJSMPDAYYWTZSV-HOCLYGCPSA-N	2	2	291.395	0.861	1	0		CCAFLP
COCC[NH+]1CCO[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1	ZINC000299842443	333187681	/nfs/dbraw/zinc/18/76/81/333187681.db2.gz	GJSMPDAYYWTZSV-HOCLYGCPSA-N	2	2	291.395	0.861	1	0		CCAFLP
COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1	ZINC000299842443	333187682	/nfs/dbraw/zinc/18/76/82/333187682.db2.gz	GJSMPDAYYWTZSV-HOCLYGCPSA-N	2	2	291.395	0.861	1	0		CCAFLP
O[C@@H]1C[NH2+]CC[C@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000038156624	134854341	/nfs/dbraw/zinc/85/43/41/134854341.db2.gz	XAQOFLJXKDBNNP-HUUCEWRRSA-N	2	2	261.369	0.531	1	0		CCAFLP
Cc1c(CN[C@H](c2c[nH]c[nH+]2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000045498160	525728808	/nfs/dbraw/zinc/72/88/08/525728808.db2.gz	WIHAIVVUPXKGDP-ZDUSSCGKSA-N	2	2	292.343	0.170	1	0		CCAFLP
C[NH2+][C@@H]1CCN(c2cc(N(C)C(C)C)[nH+]c(N)n2)C1	ZINC000071340992	176130642	/nfs/dbraw/zinc/13/06/42/176130642.db2.gz	LFLJQIAXEUZUCD-SNVBAGLBSA-N	2	2	264.377	0.702	1	0		CCAFLP
C[NH2+][C@@H]1CCN(c2cc(N)[nH+]c(NC(C)C)n2)C1	ZINC000071341020	176130317	/nfs/dbraw/zinc/13/03/17/176130317.db2.gz	UWCHDBZRYBZKIZ-SECBINFHSA-N	2	2	250.350	0.677	1	0		CCAFLP
C[NH2+][C@@H]1CCN(c2cc(N)[nH+]c(N(C)C(C)C)n2)C1	ZINC000071340988	176130340	/nfs/dbraw/zinc/13/03/40/176130340.db2.gz	VOKNXLPPDJDMCQ-SNVBAGLBSA-N	2	2	264.377	0.702	1	0		CCAFLP
C[NH2+][C@@H]1CCN(c2cc(NC(C)C)[nH+]c(N)n2)C1	ZINC000071340483	176130636	/nfs/dbraw/zinc/13/06/36/176130636.db2.gz	XOJGZLKPRQBGOK-SECBINFHSA-N	2	2	250.350	0.677	1	0		CCAFLP
Nc1nc(N2C[C@@H]3CCC[NH2+][C@@H]3C2)cc(N2CCCC2)[nH+]1	ZINC000071341788	176130698	/nfs/dbraw/zinc/13/06/98/176130698.db2.gz	CIAJCBHTDCHXLB-NWDGAFQWSA-N	2	2	288.399	0.847	1	0		CCAFLP
CC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CC1CC1	ZINC000005853032	170147174	/nfs/dbraw/zinc/14/71/74/170147174.db2.gz	KSVHRPDYWHUWNQ-UHFFFAOYSA-N	4	2	270.465	0.945	1	0		CCAFLP
Nc1nc(N2C[C@H]3CCC[NH2+][C@@H]3C2)cc(N2CCCC2)[nH+]1	ZINC000071341789	176130314	/nfs/dbraw/zinc/13/03/14/176130314.db2.gz	CIAJCBHTDCHXLB-VXGBXAGGSA-N	2	2	288.399	0.847	1	0		CCAFLP
C[NH2+][C@@H]1CCN(c2cc(N)[nH+]c(NCC(C)C)n2)C1	ZINC000071341945	176130351	/nfs/dbraw/zinc/13/03/51/176130351.db2.gz	GCRPPSFRMMXKJN-SNVBAGLBSA-N	2	2	264.377	0.925	1	0		CCAFLP
C[NH2+][C@H]1CCN(c2cc(N3CCCC3)[nH+]c(N)n2)C1	ZINC000071341965	176130580	/nfs/dbraw/zinc/13/05/80/176130580.db2.gz	LHEZCRHIKJOQOE-JTQLQIEISA-N	2	2	262.361	0.457	1	0		CCAFLP
NC(=O)c1nonc1C[NH+]1CCC(Cc2c[nH]c[nH+]2)CC1	ZINC000040392462	174252410	/nfs/dbraw/zinc/25/24/10/174252410.db2.gz	NUSIRWHIWDSLJL-UHFFFAOYSA-N	2	2	290.327	0.346	1	0		CCAFLP
C[NH2+][C@@H]1CCN(c2cc(N3CCCC3)[nH+]c(N)n2)C1	ZINC000071332895	176125884	/nfs/dbraw/zinc/12/58/84/176125884.db2.gz	LHEZCRHIKJOQOE-SNVBAGLBSA-N	2	2	262.361	0.457	1	0		CCAFLP
C[N@@H+]1CCCN(c2nc(-c3cc[nH+]c(N)c3)cnc2N)CC1	ZINC000045336738	175360660	/nfs/dbraw/zinc/36/06/60/175360660.db2.gz	PAGXROYDZQJRNY-UHFFFAOYSA-N	2	2	299.382	0.845	1	0		CCAFLP
C[N@H+]1CCCN(c2nc(-c3cc[nH+]c(N)c3)cnc2N)CC1	ZINC000045336738	175360662	/nfs/dbraw/zinc/36/06/62/175360662.db2.gz	PAGXROYDZQJRNY-UHFFFAOYSA-N	2	2	299.382	0.845	1	0		CCAFLP