smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)N2CCN(c3nc(N4CC[NH+](C)CC4)cc(C)[nH+]3)CC2)c(OC)c1	ZINC000024023213	557391633	/nfs/dbraw/zinc/39/16/33/557391633.db2.gz	RIOYWBAABJQVCN-UHFFFAOYSA-N	2	2	440.548	1.516	10	0		IDAELP
COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCC2([NH+]3CCOCC3)CCCC2)c1	ZINC000015069996	568635754	/nfs/dbraw/zinc/63/57/54/568635754.db2.gz	QKFZKBVFOQLYMX-OAQYLSRUSA-N	2	2	444.576	1.147	10	0		IDAELP
COc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCC2([NH+]3CCOCC3)CCCC2)c1	ZINC000015069996	568635757	/nfs/dbraw/zinc/63/57/57/568635757.db2.gz	QKFZKBVFOQLYMX-OAQYLSRUSA-N	2	2	444.576	1.147	10	0		IDAELP
COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCC2([NH+]3CCOCC3)CCCC2)c1	ZINC000015069994	568635802	/nfs/dbraw/zinc/63/58/02/568635802.db2.gz	QKFZKBVFOQLYMX-NRFANRHFSA-N	2	2	444.576	1.147	10	0		IDAELP
COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCC2([NH+]3CCOCC3)CCCC2)c1	ZINC000015069994	568635806	/nfs/dbraw/zinc/63/58/06/568635806.db2.gz	QKFZKBVFOQLYMX-NRFANRHFSA-N	2	2	444.576	1.147	10	0		IDAELP
c1coc(C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2Oc2ccc(-n3cc[nH+]c3)cc2)c1	ZINC000004147896	291329053	/nfs/dbraw/zinc/32/90/53/291329053.db2.gz	IGUXXJUWOZYYGQ-VNTMZGSJSA-N	2	2	435.444	1.741	10	0	biogenic	IDAELP
COc1cc(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC(C)(C)C)c(C)c1C	ZINC000071788277	557298308	/nfs/dbraw/zinc/29/83/08/557298308.db2.gz	RZSVUYZPNACFJI-HNNXBMFYSA-N	2	2	442.582	1.872	10	0		IDAELP
O=C(CC[C@H]1CN(Cc2ccncc2)CC[C@H]1[NH+]1CCOCC1)NCC[NH+]1CCCCC1	ZINC000012190441	526574449	/nfs/dbraw/zinc/57/44/49/526574449.db2.gz	KLMZFDOMNOCYFT-BJKOFHAPSA-N	2	2	443.636	1.987	10	0		IDAELP
CS(=O)(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc(-n3cc[nH+]c3)cc2)cc1	ZINC000004633608	562943349	/nfs/dbraw/zinc/94/33/49/562943349.db2.gz	QZWUQVSQIFFFKY-LJQANCHMSA-N	2	2	446.529	1.652	10	0	in-man	IDAELP