smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1)[NH+]=C(C)C=C(c1ccccc1)N2	ZINC000000248259	168137753	/nfs/dbraw/zinc/13/77/53/168137753.db2.gz	PBOOHIAPDBMIQS-UHFFFAOYSA-N	1	0	248.329	4.554	50	0		BJAARO
CC1=[NH+]C(C)(C)[C@@H](C)c2c3ccccc3ccc21	ZINC000000971688	168133054	/nfs/dbraw/zinc/13/30/54/168133054.db2.gz	IJKSFQSCURXWCO-NSHDSACASA-N	1	0	237.346	4.545	50	0		BJAARO
CC1=[NH+]C(C)(C)[C@H](C)c2c3ccccc3ccc21	ZINC000000971689	168132759	/nfs/dbraw/zinc/13/27/59/168132759.db2.gz	IJKSFQSCURXWCO-LLVKDONJSA-N	1	0	237.346	4.545	50	0		BJAARO
CC1=[NH+]C(C)(C)[C@@H](C)c2ccc3ccccc3c21	ZINC000001025121	168132526	/nfs/dbraw/zinc/13/25/26/168132526.db2.gz	LIJHXPXJENFDSK-NSHDSACASA-N	1	0	237.346	4.545	50	0		BJAARO
CC1=[NH+]C(C)(C)[C@H](C)c2ccc3ccccc3c21	ZINC000001025127	168133163	/nfs/dbraw/zinc/13/31/63/168133163.db2.gz	LIJHXPXJENFDSK-LLVKDONJSA-N	1	0	237.346	4.545	50	0		BJAARO
C[C@H]1CC2(CCCCC2)[NH2+][C@@H](C)c2ccccc21	ZINC000001322933	177067658	/nfs/dbraw/zinc/06/76/58/177067658.db2.gz	MLKXKMPAUIUUOA-KBPBESRZSA-N	1	0	243.394	4.547	50	0		BJAARO
C[C@@H]1CC2(CCCCC2)[NH2+][C@@H](C)c2ccccc21	ZINC000001322934	383894504	/nfs/dbraw/zinc/89/45/04/383894504.db2.gz	MLKXKMPAUIUUOA-KGLIPLIRSA-N	1	0	243.394	4.547	50	0		BJAARO
C[C@H]1[NH2+]C2(CCCCC2)C[C@H](C)c2ccccc21	ZINC000001322935	177067499	/nfs/dbraw/zinc/06/74/99/177067499.db2.gz	MLKXKMPAUIUUOA-UONOGXRCSA-N	1	0	243.394	4.547	50	0		BJAARO
C[C@@H]1CC2(CCCCC2)[NH2+][C@H](C)c2ccccc21	ZINC000001322936	176057647	/nfs/dbraw/zinc/05/76/47/176057647.db2.gz	MLKXKMPAUIUUOA-ZIAGYGMSSA-N	1	0	243.394	4.547	50	0		BJAARO
CCCCC[NH+](CCCCC)CCCCC	ZINC000001599570	168689120	/nfs/dbraw/zinc/68/91/20/168689120.db2.gz	OOHAUGDGCWURIT-UHFFFAOYSA-N	1	0	227.436	4.859	50	0		BJAARO
CCCC[PH+](CCCC)CCCC	ZINC000001689768	168921766	/nfs/dbraw/zinc/92/17/66/168921766.db2.gz	TUQOTMZNTHZOKS-UHFFFAOYSA-N	1	0	202.322	4.869	50	0		BJAARO
CC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1	ZINC000001716332	188100264	/nfs/dbraw/zinc/10/02/64/188100264.db2.gz	IDOFMGSESVXXQI-UHFFFAOYSA-N	1	0	247.426	4.974	50	0		BJAARO
CC(C)=CCC/C(C)=C/CC(C)(C)C[NH+](C)C	ZINC000002139526	187986581	/nfs/dbraw/zinc/98/65/81/187986581.db2.gz	WKEGNKOFLJKAJS-RVDMUPIBSA-N	1	0	237.431	4.657	50	0		BJAARO
CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C	ZINC000002560563	342724249	/nfs/dbraw/zinc/72/42/49/342724249.db2.gz	BWHDROKFUHTORW-UHFFFAOYSA-N	1	0	202.322	4.864	50	0		BJAARO
Cc1cc(C(C)(C)C)cc(C(C)(C)C)[s+]1	ZINC000004173402	388392948	/nfs/dbraw/zinc/39/29/48/388392948.db2.gz	XRYSVBKNDPUPPY-UHFFFAOYSA-N	1	0	223.405	4.933	50	0		BJAARO
CCCCC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C	ZINC000004214560	372172600	/nfs/dbraw/zinc/17/26/00/372172600.db2.gz	ZLVOFPSPMOLPJY-MRXNPFEDSA-N	1	0	247.426	4.670	50	0	in-man	BJAARO
Cc1ccc(C)c2c1C(C)=[NH+][C@@]1(C)CCCC[C@@H]21	ZINC000004753872	168137250	/nfs/dbraw/zinc/13/72/50/168137250.db2.gz	QMHZSZREDKYWKJ-YOEHRIQHSA-N	1	0	241.378	4.542	50	0		BJAARO
Cc1ccc(C)c2c1C(C)=[NH+][C@@]1(C)CCCC[C@H]21	ZINC000004753874	168138129	/nfs/dbraw/zinc/13/81/29/168138129.db2.gz	QMHZSZREDKYWKJ-PBHICJAKSA-N	1	0	241.378	4.542	50	0		BJAARO
Cc1ccc(C)c2c1C(C)=[NH+][C@]1(C)CCCC[C@@H]21	ZINC000004753875	168137747	/nfs/dbraw/zinc/13/77/47/168137747.db2.gz	QMHZSZREDKYWKJ-WMLDXEAASA-N	1	0	241.378	4.542	50	0		BJAARO
Cc1ccc(C)c2c1C(C)=[NH+][C@]1(C)CCCC[C@H]21	ZINC000004753877	168138092	/nfs/dbraw/zinc/13/80/92/168138092.db2.gz	QMHZSZREDKYWKJ-RHSMWYFYSA-N	1	0	241.378	4.542	50	0		BJAARO
CC(C)(C)c1cccc(C(C)(C)C)[s+]1	ZINC000004829247	187929179	/nfs/dbraw/zinc/92/91/79/187929179.db2.gz	ZNQAZHQJZGHFFD-UHFFFAOYSA-N	1	0	209.378	4.624	50	0		BJAARO
Cc1cccc(Oc2cc(C)nc3ccccc32)c1	ZINC000005009316	179175631	/nfs/dbraw/zinc/17/56/31/179175631.db2.gz	DIQJJBOIVCMENB-UHFFFAOYSA-N	1	0	249.313	4.644	50	0		BJAARO
Cc1cc(C(C)(C)C)[s+]c(C(C)(C)C)c1	ZINC000005378679	386995448	/nfs/dbraw/zinc/99/54/48/386995448.db2.gz	RMWOZGXCLNTAJW-UHFFFAOYSA-N	1	0	223.405	4.933	50	0		BJAARO
CCC1CCC([NH2+]C2CCC(CC)CC2)CC1	ZINC000006051849	355775623	/nfs/dbraw/zinc/77/56/23/355775623.db2.gz	XFCFONLBAWHFIM-UHFFFAOYSA-N	1	0	237.431	4.514	50	0		BJAARO
C[C@@]12C[C@@H](CC(C)(C)CC1)[N@@H+](C1CCCCC1)C2	ZINC000006257616	357225922	/nfs/dbraw/zinc/22/59/22/357225922.db2.gz	NUKHAUWBOOVTMT-WBVHZDCISA-N	1	0	249.442	4.610	50	0		BJAARO
CCCCCC[NH2+]Cc1cccc2ccccc21	ZINC000006427158	342777683	/nfs/dbraw/zinc/77/76/83/342777683.db2.gz	JETVWAVBZZCOMB-UHFFFAOYSA-N	1	0	241.378	4.510	50	0		BJAARO
CC(C)(C)CC(C)(C)[NH2+]C/C=C/c1ccccc1	ZINC000006857325	342784778	/nfs/dbraw/zinc/78/47/78/342784778.db2.gz	BJOKBYLANOCGBY-FMIVXFBMSA-N	1	0	245.410	4.504	50	0		BJAARO
CC(C)c1ccc(C[NH2+]C2CCCCCC2)cc1	ZINC000007009329	342787497	/nfs/dbraw/zinc/78/74/97/342787497.db2.gz	NMOOLPJBLLIDTR-UHFFFAOYSA-N	1	0	245.410	4.622	50	0		BJAARO
CCc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1	ZINC000007520866	384182952	/nfs/dbraw/zinc/18/29/52/384182952.db2.gz	NMXDCBRKFUMAQE-UHFFFAOYSA-N	1	0	247.426	4.553	50	0		BJAARO
C[C@@H](C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1	ZINC000010475345	342836619	/nfs/dbraw/zinc/83/66/19/342836619.db2.gz	AUAOXZLAYPWETF-AWEZNQCLSA-N	1	0	247.426	4.595	50	0		BJAARO
C[C@H](C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1	ZINC000010475346	342836532	/nfs/dbraw/zinc/83/65/32/342836532.db2.gz	AUAOXZLAYPWETF-CQSZACIVSA-N	1	0	247.426	4.595	50	0		BJAARO
CCCCC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C	ZINC000033827808	344956442	/nfs/dbraw/zinc/95/64/42/344956442.db2.gz	ZLVOFPSPMOLPJY-INIZCTEOSA-N	1	0	247.426	4.670	50	0	in-man	BJAARO
CC[C@@H]1CC[C@@H](CC)[PH+]1C1CCCC1	ZINC000060290938	171039912	/nfs/dbraw/zinc/03/99/12/171039912.db2.gz	IYMZIOPOOBFXBE-VXGBXAGGSA-N	1	0	212.317	4.762	50	0		BJAARO
CC[C@H]1CC[C@H](CC)[PH+]1C1CCCC1	ZINC000060290942	171647038	/nfs/dbraw/zinc/64/70/38/171647038.db2.gz	IYMZIOPOOBFXBE-RYUDHWBXSA-N	1	0	212.317	4.762	50	0		BJAARO
CC1(C)CCC([NH2+]C2CCC(C)(C)CC2)CC1	ZINC000079676680	384508724	/nfs/dbraw/zinc/50/87/24/384508724.db2.gz	YIZHBIVSGXFFCC-UHFFFAOYSA-N	1	0	237.431	4.514	50	0		BJAARO
CCCCC[NH2+]C1(c2ccccc2)CCCCC1	ZINC000096026697	371381046	/nfs/dbraw/zinc/38/10/46/371381046.db2.gz	NKOOSLJOCOVQGZ-UHFFFAOYSA-N	1	0	245.410	4.626	50	0		BJAARO
CC(C)(C)[PH+](C1=CCC=C1)C(C)(C)C	ZINC000098074341	368382387	/nfs/dbraw/zinc/38/23/87/368382387.db2.gz	TYNWUPVVBOSDQU-UHFFFAOYSA-N	1	0	210.301	4.909	50	0		BJAARO
CC(C)[C@H]1CC[C@H](C(C)C)[PH+]1C1C=CC=C1	ZINC000098074350	368381596	/nfs/dbraw/zinc/38/15/96/368381596.db2.gz	WNHCTFOUCLLPLV-HUUCEWRRSA-N	1	0	236.339	4.806	50	0		BJAARO
CC(C)[C@@H]1CC[C@@H](C(C)C)[PH+]1C1C=CC=C1	ZINC000098074352	368381308	/nfs/dbraw/zinc/38/13/08/368381308.db2.gz	WNHCTFOUCLLPLV-GJZGRUSLSA-N	1	0	236.339	4.806	50	0		BJAARO
CC(C)(C)[PH+](C1=CC=CC1)C(C)(C)C	ZINC000108473451	368384648	/nfs/dbraw/zinc/38/46/48/368384648.db2.gz	GOSXOHGOIFFJOO-UHFFFAOYSA-N	1	0	210.301	4.909	50	0		BJAARO
CCCC[NH+](CCCC)CCCc1ccccc1	ZINC000149909467	368395159	/nfs/dbraw/zinc/39/51/59/368395159.db2.gz	RGZBOWVSBABSBH-UHFFFAOYSA-N	1	0	247.426	4.521	50	0		BJAARO
CC(C)(C)[PH+]([C@@H]1C=CCC1)C(C)(C)C	ZINC000238791333	166687998	/nfs/dbraw/zinc/68/79/98/166687998.db2.gz	IVEODDLETPDFBG-LLVKDONJSA-N	1	0	212.317	4.784	50	0		BJAARO
CC(C)(C)[PH+]([C@H]1C=CCC1)C(C)(C)C	ZINC000238791334	591894376	/nfs/dbraw/zinc/89/43/76/591894376.db2.gz	IVEODDLETPDFBG-NSHDSACASA-N	1	0	212.317	4.784	50	0		BJAARO