smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c(N[C@H]3CCO[C@H](C4CC4)C3)cc[nH+]c12	ZINC000160303511	264241705	/nfs/dbraw/zinc/24/17/05/264241705.db2.gz	SGTSUWBJYUDFCY-YOEHRIQHSA-N	1	0	282.387	3.913	10	70		CHIERO
Cc1cccc2c(N[C@H]3CCO[C@@H](C4CC4)C3)cc[nH+]c12	ZINC000160303755	264241764	/nfs/dbraw/zinc/24/17/64/264241764.db2.gz	SGTSUWBJYUDFCY-WMLDXEAASA-N	1	0	282.387	3.913	10	70		CHIERO
Cc1cccc2c(N[C@@H]3CCO[C@@H](C4CC4)C3)cc[nH+]c12	ZINC000160303618	264242379	/nfs/dbraw/zinc/24/23/79/264242379.db2.gz	SGTSUWBJYUDFCY-RHSMWYFYSA-N	1	0	282.387	3.913	10	70		CHIERO
c1oc2ccccc2c1CN1CC[NH2+]CC12CCCCC2	ZINC000161113706	526626898	/nfs/dbraw/zinc/62/68/98/526626898.db2.gz	AAEURYAWBZAGMT-UHFFFAOYSA-N	1	0	284.403	3.541	10	70		CHIERO
CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000161343956	522944215	/nfs/dbraw/zinc/94/42/15/522944215.db2.gz	FJIBSXYMQFCGDK-DLBZAZTESA-N	1	0	298.434	3.629	10	70		CHIERO
Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000160566427	261218031	/nfs/dbraw/zinc/21/80/31/261218031.db2.gz	CXMVVTQZXOCHIB-KRWDZBQOSA-N	1	0	297.402	3.518	10	70		CHIERO
Cc1cccc([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160919196	328094787	/nfs/dbraw/zinc/09/47/87/328094787.db2.gz	JIRLBZUEYUNEGE-CGTJXYLNSA-N	1	0	273.420	3.683	10	70		CHIERO
CCn1cc(C2CC[NH+](Cc3cc(C)cc(C)c3)CC2)cn1	ZINC000160637605	523356490	/nfs/dbraw/zinc/35/64/90/523356490.db2.gz	RDPGITFFNAEFLL-UHFFFAOYSA-N	1	0	297.446	3.899	10	70		CHIERO
Cc1cccc(C2CC([NH2+][C@@H]3CCOC(C)(C)C3)C2)c1	ZINC000159990754	330856498	/nfs/dbraw/zinc/85/64/98/330856498.db2.gz	ZPUFYQCBAFXDQB-AQFXKWCLSA-N	1	0	273.420	3.788	10	70		CHIERO
CCn1cc(C2CC[NH+](Cc3ccccc3C)CC2)cn1	ZINC000160459752	523355736	/nfs/dbraw/zinc/35/57/36/523355736.db2.gz	UQJKHKZHZMAOLL-UHFFFAOYSA-N	1	0	283.419	3.591	10	70		CHIERO
CC(C)=CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161146296	328136944	/nfs/dbraw/zinc/13/69/44/328136944.db2.gz	QBJWFOQNQUQZLZ-LSDHHAIUSA-N	1	0	299.336	3.779	10	70		CHIERO
CC(C)=CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161146174	328136947	/nfs/dbraw/zinc/13/69/47/328136947.db2.gz	QBJWFOQNQUQZLZ-HUUCEWRRSA-N	1	0	299.336	3.779	10	70		CHIERO
CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000161343829	523101091	/nfs/dbraw/zinc/10/10/91/523101091.db2.gz	FJIBSXYMQFCGDK-IRXDYDNUSA-N	1	0	298.434	3.629	10	70		CHIERO
CC(C)c1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1	ZINC000160522217	327618663	/nfs/dbraw/zinc/61/86/63/327618663.db2.gz	DVJSBBHRPPHJKD-UHFFFAOYSA-N	1	0	297.446	3.923	10	70		CHIERO
Cc1cccc([C@@H](C)[NH2+]Cc2cncn2C(C)C)c1	ZINC000160144239	262515838	/nfs/dbraw/zinc/51/58/38/262515838.db2.gz	YHXUUBTWDLWXAQ-CQSZACIVSA-N	1	0	257.381	3.623	10	70		CHIERO
c1csc(C2=CCN(CCC[NH+]3CCCCC3)CC2)c1	ZINC000161364933	526577730	/nfs/dbraw/zinc/57/77/30/526577730.db2.gz	QTVFMPYOZSWRIE-UHFFFAOYSA-N	1	0	290.476	3.713	10	70		CHIERO
OCC1(C[NH2+][C@H](c2ccco2)c2ccccc2)CCCC1	ZINC000160077067	330858419	/nfs/dbraw/zinc/85/84/19/330858419.db2.gz	PHNLTCGYQXWZKI-KRWDZBQOSA-N	1	0	285.387	3.511	10	70		CHIERO
Cc1cccc2c(N[C@@H]3CCO[C@H](C4CC4)C3)cc[nH+]c12	ZINC000160303380	264242393	/nfs/dbraw/zinc/24/23/93/264242393.db2.gz	SGTSUWBJYUDFCY-PBHICJAKSA-N	1	0	282.387	3.913	10	70		CHIERO
Cc1cc(C)c(C[NH+]2CCC(c3ccnn3C)CC2)c(C)c1	ZINC000160526958	327618382	/nfs/dbraw/zinc/61/83/82/327618382.db2.gz	QXNDRVRLYYSCCH-UHFFFAOYSA-N	1	0	297.446	3.725	10	70		CHIERO
CCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161142203	260960364	/nfs/dbraw/zinc/96/03/64/260960364.db2.gz	GZIBBUCRSFOCII-ZIAGYGMSSA-N	1	0	287.325	3.613	10	70		CHIERO
CSc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160540549	525989162	/nfs/dbraw/zinc/98/91/62/525989162.db2.gz	HBRJHRVKCWQGHR-UHFFFAOYSA-N	1	0	287.432	3.511	10	70		CHIERO
CC(C)Oc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1	ZINC000160549823	519782912	/nfs/dbraw/zinc/78/29/12/519782912.db2.gz	URGPBBYIRWDPFA-UHFFFAOYSA-N	1	0	299.418	3.577	10	70		CHIERO
Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O	ZINC000160490904	526679966	/nfs/dbraw/zinc/67/99/66/526679966.db2.gz	PELUWIVDMCWNBJ-UBHSHLNASA-N	1	0	296.480	3.777	10	70		CHIERO
Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000160566264	261218288	/nfs/dbraw/zinc/21/82/88/261218288.db2.gz	CXMVVTQZXOCHIB-QGZVFWFLSA-N	1	0	297.402	3.518	10	70		CHIERO
CCn1cc(C2CC[NH+](C/C=C/c3ccccc3)CC2)cn1	ZINC000160637474	523353695	/nfs/dbraw/zinc/35/36/95/523353695.db2.gz	QKEFONAUJZCUNX-RMKNXTFCSA-N	1	0	295.430	3.796	10	70		CHIERO
CC[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000161251677	523663169	/nfs/dbraw/zinc/66/31/69/523663169.db2.gz	SJPYGROZGUXVKN-XJKSGUPXSA-N	1	0	296.480	3.607	10	70		CHIERO
c1csc([C@H]2CCCCN2CCC[NH+]2CCCCC2)n1	ZINC000160781812	526587906	/nfs/dbraw/zinc/58/79/06/526587906.db2.gz	JPNIODZGONZDGU-OAHLLOKOSA-N	1	0	293.480	3.546	10	70		CHIERO
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(C2CC2)CC1	ZINC000217791220	333123928	/nfs/dbraw/zinc/12/39/28/333123928.db2.gz	JXHAAANFHBYKNX-JLSDUUJJSA-N	1	0	278.484	3.664	10	70		CHIERO
CCn1cc(C2CC[NH+](Cc3ccc(C)cc3)CC2)cn1	ZINC000160637186	523356627	/nfs/dbraw/zinc/35/66/27/523356627.db2.gz	ZEFGAKLEIBYUNG-UHFFFAOYSA-N	1	0	283.419	3.591	10	70		CHIERO
Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc3ccccn23)o1	ZINC000160595879	525801695	/nfs/dbraw/zinc/80/16/95/525801695.db2.gz	TVTKBQKMGGSZOR-INIZCTEOSA-N	1	0	295.386	3.963	10	70		CHIERO
Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc3ccccn23)o1	ZINC000160595995	525995444	/nfs/dbraw/zinc/99/54/44/525995444.db2.gz	TVTKBQKMGGSZOR-MRXNPFEDSA-N	1	0	295.386	3.963	10	70		CHIERO
c1csc([C@@H]2CCCCN2CCC[NH+]2CCCCC2)n1	ZINC000160781691	526586701	/nfs/dbraw/zinc/58/67/01/526586701.db2.gz	JPNIODZGONZDGU-HNNXBMFYSA-N	1	0	293.480	3.546	10	70		CHIERO
CCSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1	ZINC000159513886	327481136	/nfs/dbraw/zinc/48/11/36/327481136.db2.gz	SDVPMCNAAIDBPM-MAZHCROVSA-N	1	0	279.449	3.753	10	70		CHIERO
c1oc2ccccc2c1C[NH2+][C@@H]1COc2ccccc21	ZINC000159823921	330851835	/nfs/dbraw/zinc/85/18/35/330851835.db2.gz	CZJLBJZFAXPLNG-OAHLLOKOSA-N	1	0	265.312	3.656	10	70		CHIERO
CC[C@](C)(O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000161251562	523495431	/nfs/dbraw/zinc/49/54/31/523495431.db2.gz	SJPYGROZGUXVKN-BBRMVZONSA-N	1	0	296.480	3.607	10	70		CHIERO
C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161041166	328119859	/nfs/dbraw/zinc/11/98/59/328119859.db2.gz	FNVHIFXCWJUPDF-PBFPGSCMSA-N	1	0	295.373	3.653	10	70		CHIERO
CCn1cc(C2CC[NH+](Cc3cccc(C)c3)CC2)cn1	ZINC000160461514	523357831	/nfs/dbraw/zinc/35/78/31/523357831.db2.gz	YBBKRHHIOQKOGJ-UHFFFAOYSA-N	1	0	283.419	3.591	10	70		CHIERO