smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(O)c([C@H](O)N2CCOCC2)cc([C@H](O)N2CCOCC2)c1O	ZINC000001688120	483397640	/nfs/dbraw/zinc/39/76/40/483397640.db2.gz	AOLLAVGIIAWYDF-HOTGVXAUSA-N	0	0	356.375	-0.550	40	10		FBCBRN
Oc1c(O)c([C@@H](O)N2CCOCC2)cc([C@@H](O)N2CCOCC2)c1O	ZINC000001688123	483397495	/nfs/dbraw/zinc/39/74/95/483397495.db2.gz	AOLLAVGIIAWYDF-HZPDHXFCSA-N	0	0	356.375	-0.550	40	10		FBCBRN
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000006482465	209452411	/nfs/dbraw/zinc/45/24/11/209452411.db2.gz	MZNIJRAPCCELQX-AWOKGZDASA-N	0	0	368.338	-0.558	40	10	biogenic,in-vitro	FBCBRN
Oc1c(O)c([C@@H](O)N2CCOCC2)cc([C@H](O)N2CCOCC2)c1O	ZINC000018156149	483484272	/nfs/dbraw/zinc/48/42/72/483484272.db2.gz	AOLLAVGIIAWYDF-IYBDPMFKSA-N	0	0	356.375	-0.550	40	10		FBCBRN
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000072320617	205030211	/nfs/dbraw/zinc/03/02/11/205030211.db2.gz	HILBWEPXZDMOAE-HUIHUXAKSA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	ZINC000072320618	208186251	/nfs/dbraw/zinc/18/62/51/208186251.db2.gz	HILBWEPXZDMOAE-QCCKTTINSA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000072320619	483589228	/nfs/dbraw/zinc/58/92/28/483589228.db2.gz	HILBWEPXZDMOAE-WAYHNIQISA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	ZINC000072320620	205031230	/nfs/dbraw/zinc/03/12/30/205031230.db2.gz	HILBWEPXZDMOAE-PIENQADHSA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	ZINC000106939467	222390202	/nfs/dbraw/zinc/39/02/02/222390202.db2.gz	HILBWEPXZDMOAE-BAHRESBFSA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000106939472	483645502	/nfs/dbraw/zinc/64/55/02/483645502.db2.gz	HILBWEPXZDMOAE-HYFBCXPASA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
COc1ccc(N2CCN(c3cc(C(C(N)=O)C(N)=O)ncn3)CC2)cc1	ZINC000224840751	132283786	/nfs/dbraw/zinc/28/37/86/132283786.db2.gz	QMSIQSWNXSZYOG-UHFFFAOYSA-N	0	0	370.413	-0.134	40	10		FBCBRN
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000229775271	485007967	/nfs/dbraw/zinc/00/79/67/485007967.db2.gz	HILBWEPXZDMOAE-NFTQXYDQSA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	ZINC000248006360	523307088	/nfs/dbraw/zinc/30/70/88/523307088.db2.gz	HILBWEPXZDMOAE-ONYRFCSVSA-N	0	0	350.323	-0.026	40	10	biogenic,in-vitro	FBCBRN
CN1C(=O)C(=CNc2ccc(S(=O)(=O)CCO)cc2)C(=O)N(C)C1=O	ZINC000408536740	483399292	/nfs/dbraw/zinc/39/92/92/483399292.db2.gz	XRGQQZHYLKBESX-UHFFFAOYSA-N	0	0	367.383	-0.201	40	10		FBCBRN
Nc1ccc(CN(N[C@@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419919	484540320	/nfs/dbraw/zinc/54/03/20/484540320.db2.gz	ASMZIQHEBNQYSA-CABCVRRESA-N	0	0	373.500	-0.050	40	10		FBCBRN
Nc1ccc(CN(N[C@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419920	484540209	/nfs/dbraw/zinc/54/02/09/484540209.db2.gz	ASMZIQHEBNQYSA-GJZGRUSLSA-N	0	0	373.500	-0.050	40	10		FBCBRN
Nc1ccc(CN(N[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419921	484540798	/nfs/dbraw/zinc/54/07/98/484540798.db2.gz	ASMZIQHEBNQYSA-HUUCEWRRSA-N	0	0	373.500	-0.050	40	10		FBCBRN
Nc1ccc(CN(N[C@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419922	484540315	/nfs/dbraw/zinc/54/03/15/484540315.db2.gz	ASMZIQHEBNQYSA-LSDHHAIUSA-N	0	0	373.500	-0.050	40	10		FBCBRN
Nc1ccc(CN2[C@@H]3CS(=O)(=O)C[C@@H]3N[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575424527	484542086	/nfs/dbraw/zinc/54/20/86/484542086.db2.gz	TWKOIQHIDFCTTF-BYNSBNAKSA-N	0	0	371.484	-0.995	40	10		FBCBRN
Nc1ccc(CN2[C@@H]3CS(=O)(=O)C[C@@H]3N[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575424531	484541885	/nfs/dbraw/zinc/54/18/85/484541885.db2.gz	TWKOIQHIDFCTTF-LXTVHRRPSA-N	0	0	371.484	-0.995	40	10		FBCBRN
Nc1ccc(CN2[C@H]3CS(=O)(=O)C[C@H]3N[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575424533	484542748	/nfs/dbraw/zinc/54/27/48/484542748.db2.gz	TWKOIQHIDFCTTF-PYHGIMPFSA-N	0	0	371.484	-0.995	40	10		FBCBRN
Nc1ccc(CN2[C@H]3CS(=O)(=O)C[C@@H]3N[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575424535	484541749	/nfs/dbraw/zinc/54/17/49/484541749.db2.gz	TWKOIQHIDFCTTF-ZQDZILKHSA-N	0	0	371.484	-0.995	40	10		FBCBRN
CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	ZINC000604382300	483865682	/nfs/dbraw/zinc/86/56/82/483865682.db2.gz	NOJBLITYHPRMIX-OAHLLOKOSA-N	0	0	367.471	-0.077	40	10	biogenic,in-vitro	FBCBRN