smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(C)(C)C[NH2+]CCCc1c[nH+]ccc1C	ZINC000293822113	353769268	/nfs/dbraw/zinc/76/92/68/353769268.db2.gz	FXQUMIIZNFBBEZ-UHFFFAOYSA-N	2	2	246.398	3.515	20	30		BHEDLP
C=CCC(C)(C)C[NH2+]CCCc1ccc(C)[nH+]c1	ZINC000353925273	534551578	/nfs/dbraw/zinc/55/15/78/534551578.db2.gz	NANMVUKWCLWBJZ-UHFFFAOYSA-N	2	2	246.398	3.515	20	30		BHEDLP
C=CCCC[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1	ZINC000354574852	534761364	/nfs/dbraw/zinc/76/13/64/534761364.db2.gz	PAZOHYXAAXGUOT-AWEZNQCLSA-N	2	2	246.398	3.657	20	30		BHEDLP
C=CCCC[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1	ZINC000354574857	534752131	/nfs/dbraw/zinc/75/21/31/534752131.db2.gz	PAZOHYXAAXGUOT-CQSZACIVSA-N	2	2	246.398	3.657	20	30		BHEDLP
C=CCCCC[C@H](C)[NH2+]CCc1cc[nH+]cc1C	ZINC000449214461	388158478	/nfs/dbraw/zinc/15/84/78/388158478.db2.gz	WTEBZBINTOOSBK-HNNXBMFYSA-N	2	2	246.398	3.657	20	30		BHEDLP
C=CCCCC[C@@H](C)[NH2+]CCc1cc[nH+]cc1C	ZINC000449214462	388158085	/nfs/dbraw/zinc/15/80/85/388158085.db2.gz	WTEBZBINTOOSBK-OAHLLOKOSA-N	2	2	246.398	3.657	20	30		BHEDLP
C=CCCCCC[NH2+]CCCc1c[nH+]ccc1C	ZINC000519606803	386502621	/nfs/dbraw/zinc/50/26/21/386502621.db2.gz	FRPBAWURPHBTON-UHFFFAOYSA-N	2	2	246.398	3.659	20	30		BHEDLP
C=CCCCCC[NH2+]CCCc1ccc(C)[nH+]c1	ZINC000576598721	365635901	/nfs/dbraw/zinc/63/59/01/365635901.db2.gz	WDLQSDGVAKZDGK-UHFFFAOYSA-N	2	2	246.398	3.659	20	30		BHEDLP
C=CCCC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C	ZINC000579776535	367003262	/nfs/dbraw/zinc/00/32/62/367003262.db2.gz	SDYHTEGJKWZSHZ-HNNXBMFYSA-N	2	2	246.398	3.657	20	30		BHEDLP
C=CCCC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C	ZINC000579776536	367003223	/nfs/dbraw/zinc/00/32/23/367003223.db2.gz	SDYHTEGJKWZSHZ-OAHLLOKOSA-N	2	2	246.398	3.657	20	30		BHEDLP
C=CC(C)(C)CC[NH2+]CCCc1ccc(C)[nH+]c1	ZINC000628378931	356700759	/nfs/dbraw/zinc/70/07/59/356700759.db2.gz	IROGCDOPISYKMC-UHFFFAOYSA-N	2	2	246.398	3.515	20	30		BHEDLP
C=CCCC(C)(C)[NH2+]CCCc1ccc(C)[nH+]c1	ZINC000668778218	491142325	/nfs/dbraw/zinc/14/23/25/491142325.db2.gz	LBRAGRWVONRLDN-UHFFFAOYSA-N	2	2	246.398	3.657	20	30		BHEDLP
CCCCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1	ZINC000745984587	585162341	/nfs/dbraw/zinc/16/23/41/585162341.db2.gz	PKZPCDIMDJWVFC-UHFFFAOYSA-N	2	2	249.402	3.560	20	30		BHEDLP
CCCCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1	ZINC000749843463	585207411	/nfs/dbraw/zinc/20/74/11/585207411.db2.gz	CNFYTKQTMZRYEM-AWEZNQCLSA-N	2	2	249.402	3.560	20	30		BHEDLP
CCCCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1	ZINC000749843463	585207410	/nfs/dbraw/zinc/20/74/10/585207410.db2.gz	CNFYTKQTMZRYEM-AWEZNQCLSA-N	2	2	249.402	3.560	20	30		BHEDLP
CCCCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1	ZINC000749843478	585207431	/nfs/dbraw/zinc/20/74/31/585207431.db2.gz	CNFYTKQTMZRYEM-CQSZACIVSA-N	2	2	249.402	3.560	20	30		BHEDLP
CCCCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1	ZINC000749843478	585207430	/nfs/dbraw/zinc/20/74/30/585207430.db2.gz	CNFYTKQTMZRYEM-CQSZACIVSA-N	2	2	249.402	3.560	20	30		BHEDLP
CCCCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1	ZINC000751483340	585231353	/nfs/dbraw/zinc/23/13/53/585231353.db2.gz	VDPGKECYVXVSEF-UHFFFAOYSA-N	2	2	249.402	3.560	20	30		BHEDLP
CCCCCCC[NH2+]CCCc1ccc(C)[nH+]c1	ZINC000792889049	586006380	/nfs/dbraw/zinc/00/63/80/586006380.db2.gz	MCGKTOPVQOABAJ-UHFFFAOYSA-N	2	2	248.414	3.883	20	30		BHEDLP
C=CCCC(C)(C)[NH2+]CCCc1c[nH+]ccc1C	ZINC000827818136	587404076	/nfs/dbraw/zinc/40/40/76/587404076.db2.gz	MWWKHPRDYALBEF-UHFFFAOYSA-N	2	2	246.398	3.657	20	30		BHEDLP
CCCCCCCCC[N@H+]1CCc2[nH+]c[nH]c2C1	ZINC000859305201	589029191	/nfs/dbraw/zinc/02/91/91/589029191.db2.gz	CWEBBXVOMLFNAM-UHFFFAOYSA-N	2	2	249.402	3.518	20	30		BHEDLP
CCCCCCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1	ZINC000859305201	589029190	/nfs/dbraw/zinc/02/91/90/589029190.db2.gz	CWEBBXVOMLFNAM-UHFFFAOYSA-N	2	2	249.402	3.518	20	30		BHEDLP