smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C=Nc2ccc3[nH]c(C)[nH+]c3c2)o1	ZINC000005322610	180076607	/nfs/dbraw/zinc/07/66/07/180076607.db2.gz	MITAUMDRXJCWBH-NVNXTCNLSA-N	1	2	239.278	3.523	1	30		BHEFLO
Cc1[nH]c2ccc(N=Cc3cccs3)cc2[nH+]1	ZINC000005940881	180076941	/nfs/dbraw/zinc/07/69/41/180076941.db2.gz	PXLBYEFMDVMUAG-ZSOIEALJSA-N	1	2	241.319	3.683	1	30		BHEFLO
C(#C[C@@H]1C[C@@H]1c1c[nH+]c[nH]1)CCC1CCCCC1	ZINC000013795284	166226313	/nfs/dbraw/zinc/22/63/13/166226313.db2.gz	RIUKBQARIDWZSC-CABCVRRESA-N	1	2	242.366	3.877	1	30		BHEFLO
C(#C[C@@H]1C[C@@H]1c1c[nH]c[nH+]1)CCC1CCCCC1	ZINC000013795284	166226311	/nfs/dbraw/zinc/22/63/11/166226311.db2.gz	RIUKBQARIDWZSC-CABCVRRESA-N	1	2	242.366	3.877	1	30		BHEFLO
C(#C[C@H]1C[C@@H]1c1c[nH+]c[nH]1)CCC1CCCCC1	ZINC000013795287	166225739	/nfs/dbraw/zinc/22/57/39/166225739.db2.gz	RIUKBQARIDWZSC-GJZGRUSLSA-N	1	2	242.366	3.877	1	30		BHEFLO
C(#C[C@H]1C[C@@H]1c1c[nH]c[nH+]1)CCC1CCCCC1	ZINC000013795287	166225738	/nfs/dbraw/zinc/22/57/38/166225738.db2.gz	RIUKBQARIDWZSC-GJZGRUSLSA-N	1	2	242.366	3.877	1	30		BHEFLO
C(#C[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCC1CCCCC1	ZINC000013795290	166225860	/nfs/dbraw/zinc/22/58/60/166225860.db2.gz	RIUKBQARIDWZSC-HUUCEWRRSA-N	1	2	242.366	3.877	1	30		BHEFLO
C(#C[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCC1CCCCC1	ZINC000013795290	166225858	/nfs/dbraw/zinc/22/58/58/166225858.db2.gz	RIUKBQARIDWZSC-HUUCEWRRSA-N	1	2	242.366	3.877	1	30		BHEFLO
C(#C[C@H]1C[C@H]1c1c[nH+]c[nH]1)CCC1CCCCC1	ZINC000013795293	166225666	/nfs/dbraw/zinc/22/56/66/166225666.db2.gz	RIUKBQARIDWZSC-LSDHHAIUSA-N	1	2	242.366	3.877	1	30		BHEFLO
C(#C[C@H]1C[C@H]1c1c[nH]c[nH+]1)CCC1CCCCC1	ZINC000013795293	166225662	/nfs/dbraw/zinc/22/56/62/166225662.db2.gz	RIUKBQARIDWZSC-LSDHHAIUSA-N	1	2	242.366	3.877	1	30		BHEFLO
CCCSC(Nc1cccc(Cl)c1)=[NH+]C	ZINC000028133874	169335320	/nfs/dbraw/zinc/33/53/20/169335320.db2.gz	VPIZKCQBHBJVDJ-UHFFFAOYSA-N	1	2	242.775	3.690	1	30		BHEFLO
CCCSC(Nc1ccccc1Cl)=[NH+]C	ZINC000028343613	169335133	/nfs/dbraw/zinc/33/51/33/169335133.db2.gz	KVAYRWNVYRULCP-UHFFFAOYSA-N	1	2	242.775	3.690	1	30		BHEFLO
Cc1[nH]c2ccc(N=Cc3ccc(C)cc3)cc2[nH+]1	ZINC000028652001	188283809	/nfs/dbraw/zinc/28/38/09/188283809.db2.gz	GCBORUQPAAPZGJ-YVLHZVERSA-N	1	2	249.317	3.930	1	30		BHEFLO
N#Cc1ccc2[nH+]c3ccc4ccccc4n3c2c1	ZINC000028869177	181133160	/nfs/dbraw/zinc/13/31/60/181133160.db2.gz	VWZNXCPFKGEPRL-UHFFFAOYSA-N	1	2	243.269	3.512	1	30		BHEFLO
Oc1ccc(F)cc1/C=[NH+]/CC1CCCCC1	ZINC000064490698	183275611	/nfs/dbraw/zinc/27/56/11/183275611.db2.gz	NTVRENARHPBCQC-MHWRWJLKSA-N	1	2	235.302	3.531	1	30		BHEFLO