smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(S)=C1C(=O)c2cc(Cl)ccc2N(C)C1=O)c1ccc(F)cc1	ZINC000102211707	535931539	/nfs/dbraw/zinc/93/15/39/535931539.db2.gz	FALIOZGLHVKJAM-OBGWFSINSA-N	0	2	376.840	3.916	1	30		GHEFLN
O=C([O-])CCCCO/N=C(/[C@H](Cc1cnccn1)n1cc[nH+]c1)C1CCCCC1	ZINC000003916824	204020552	/nfs/dbraw/zinc/02/05/52/204020552.db2.gz	FMQAUODORDZJAN-GINDCMNVSA-N	0	2	399.495	3.665	1	30		GHEFLN
CCCCCCCCc1ccc([C@@H]2C[C@@H](CO)[NH2+][C@H]2CO[P@@](=O)([O-])O)cc1	ZINC000043589915	205083695	/nfs/dbraw/zinc/08/36/95/205083695.db2.gz	DXYHOMLATOQDGJ-UFYCRDLUSA-N	0	2	399.468	3.505	1	30		GHEFLN
CCCCCCCCc1ccc([C@@H]2C[C@@H](CO)[NH2+][C@H]2CO[P@](=O)([O-])O)cc1	ZINC000043589915	205083698	/nfs/dbraw/zinc/08/36/98/205083698.db2.gz	DXYHOMLATOQDGJ-UFYCRDLUSA-N	0	2	399.468	3.505	1	30		GHEFLN
COc1cccc(N(C)C(S)=C2C(=O)c3cc(Cl)ccc3N(C)C2=O)c1	ZINC000100834249	136189351	/nfs/dbraw/zinc/18/93/51/136189351.db2.gz	BZVRFAIXBQZQPV-KNTRCKAVSA-N	0	2	388.876	3.786	1	30		GHEFLN
O=C1C[C@](O)(C(F)(F)C(F)(F)OC(F)(F)F)Oc2ccc(Cl)cc21	ZINC000005770893	204151259	/nfs/dbraw/zinc/15/12/59/204151259.db2.gz	VWVKAINZBUWTHX-SECBINFHSA-N	0	2	382.615	3.758	1	30		GHEFLN
OC1=C[C@](O)(C(F)(F)C(F)(F)OC(F)(F)F)Oc2ccc(Cl)cc21	ZINC000005770893	204151262	/nfs/dbraw/zinc/15/12/62/204151262.db2.gz	VWVKAINZBUWTHX-SECBINFHSA-N	0	2	382.615	3.758	1	30		GHEFLN
CCCCCCCCc1ccc([C@@H]2C[C@@H](CO[P@@](=O)([O-])O)[NH2+][C@H]2CO)cc1	ZINC000043589932	205084036	/nfs/dbraw/zinc/08/40/36/205084036.db2.gz	DKHSWCUVNLYVPR-UFYCRDLUSA-N	0	2	399.468	3.505	1	30		GHEFLN
CCCCCCCCc1ccc([C@@H]2C[C@@H](CO[P@](=O)([O-])O)[NH2+][C@H]2CO)cc1	ZINC000043589932	205084040	/nfs/dbraw/zinc/08/40/40/205084040.db2.gz	DKHSWCUVNLYVPR-UFYCRDLUSA-N	0	2	399.468	3.505	1	30		GHEFLN
N#Cc1c(N)nc(Sc2ccc(O)cc2)c(C#N)c1-c1ccc(O)c(F)c1	ZINC000028567136	207343992	/nfs/dbraw/zinc/34/39/92/207343992.db2.gz	NYQDNOOINWNDBF-UHFFFAOYSA-N	0	2	378.388	3.776	1	30		GHEFLN
COc1ccc(Nc2nc3c(s2)Cc2cc(/C=C/C(=O)NO)ccc2-3)cc1	ZINC000096923427	208330213	/nfs/dbraw/zinc/33/02/13/208330213.db2.gz	KYUTUWRZAZUZEW-YCRREMRBSA-N	0	2	379.441	3.985	1	30		GHEFLN
N#Cc1cc(C#N)c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2c1=N	ZINC000084632150	208092845	/nfs/dbraw/zinc/09/28/45/208092845.db2.gz	ACZAOALRNKWGAU-UHFFFAOYSA-N	0	2	377.816	3.798	1	30		GHEFLN
C=C(C)[C@H]1Cc2c(oc3cc(O)cc(O)c3c2=O)-c2c(O)cc(OC)c(O)c21	ZINC000013480176	291129820	/nfs/dbraw/zinc/12/98/20/291129820.db2.gz	PACGEOWZLGJTSP-SNVBAGLBSA-N	0	2	382.368	3.507	1	30	biogenic,in-vitro	GHEFLN
C=C(C)[C@H]1Cc2c(O)c3c(=O)cc(O)cc-3oc2-c2c(O)cc(OC)c(O)c21	ZINC000013480176	291129823	/nfs/dbraw/zinc/12/98/23/291129823.db2.gz	PACGEOWZLGJTSP-SNVBAGLBSA-N	0	2	382.368	3.507	1	30	biogenic,in-vitro	GHEFLN
COc1ccc(N(C)C(S)=C2C(=O)c3cc(Cl)ccc3N(C)C2=O)cc1	ZINC000100830440	136189262	/nfs/dbraw/zinc/18/92/62/136189262.db2.gz	SRBGVVISBWLZCF-KNTRCKAVSA-N	0	2	388.876	3.786	1	30		GHEFLN
O=S(=O)(N=C(O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCC2	ZINC000026474846	207314365	/nfs/dbraw/zinc/31/43/65/207314365.db2.gz	DJARGIBLZBPYAT-UHFFFAOYSA-N	0	2	384.379	3.909	1	30		GHEFLN
C=C(C)[C@H]1Cc2c(oc3cc(OC)cc(O)c3c2=O)-c2c(O)cc(OC)c(O)c21	ZINC000013480178	291129798	/nfs/dbraw/zinc/12/97/98/291129798.db2.gz	QTSYIEYGKIGDKF-LLVKDONJSA-N	0	2	396.395	3.810	1	30	biogenic,in-vitro	GHEFLN
C=C(C)[C@H]1Cc2c(O)c3c(=O)cc(OC)cc-3oc2-c2c(O)cc(OC)c(O)c21	ZINC000013480178	291129802	/nfs/dbraw/zinc/12/98/02/291129802.db2.gz	QTSYIEYGKIGDKF-LLVKDONJSA-N	0	2	396.395	3.810	1	30	biogenic,in-vitro	GHEFLN
C/C(=N\O)c1ccc(S(=O)(=O)c2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1	ZINC000013743623	210088485	/nfs/dbraw/zinc/08/84/85/210088485.db2.gz	KCVXDXGETJMWGO-LSCADSNKSA-N	0	2	395.502	3.777	1	30		GHEFLN
COc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3C)C(=O)N2C)cc1	ZINC000017084412	523469641	/nfs/dbraw/zinc/46/96/41/523469641.db2.gz	LJOCHBYCSSOYNF-ZREAOVPFSA-N	0	2	397.500	3.902	1	30		GHEFLN
COc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3C)C(=O)N2C)cc1	ZINC000017084413	523472558	/nfs/dbraw/zinc/47/25/58/523472558.db2.gz	LJOCHBYCSSOYNF-UGNPLGLKSA-N	0	2	397.500	3.902	1	30		GHEFLN
O=C([O-])CCCCO/N=C(/[C@@H](Cc1cnccn1)n1cc[nH+]c1)C1CCCCC1	ZINC000011686774	221122178	/nfs/dbraw/zinc/12/21/78/221122178.db2.gz	FMQAUODORDZJAN-RDWWUUERSA-N	0	2	399.495	3.665	1	30		GHEFLN
CN(C(=S)c1c(O)c2cc(-n3cccc3)ccc2n(C)c1=O)c1ccccc1	ZINC000100832538	535930440	/nfs/dbraw/zinc/93/04/40/535930440.db2.gz	AAQLNUJOMRIYBC-ZBJSNUHESA-N	0	2	389.480	3.914	1	30		GHEFLN
CN(C(S)=C1C(=O)c2cc(-n3cccc3)ccc2N(C)C1=O)c1ccccc1	ZINC000100832538	535930443	/nfs/dbraw/zinc/93/04/43/535930443.db2.gz	AAQLNUJOMRIYBC-ZBJSNUHESA-N	0	2	389.480	3.914	1	30		GHEFLN
CC[C@@H](C)C=C(C)C=CC=CC(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O	ZINC000103534953	291131981	/nfs/dbraw/zinc/13/19/81/291131981.db2.gz	SLIPSEOUWVIWET-NWDJEBEPSA-N	0	2	395.455	3.656	1	30	biogenic,in-vitro	GHEFLN