smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(F)cc2o1	ZINC000013983225	560220973	/nfs/dbraw/zinc/22/09/73/560220973.db2.gz	FVFURMJFTAJXRH-UHFFFAOYSA-N	1	1	424.428	3.055	1	0	in-vitro	HGAFMO
CC(=O)Nc1cc(-c2cc(F)cc(O[C@H]3CC[N@H+](C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040896184	581093514	/nfs/dbraw/zinc/09/35/14/581093514.db2.gz	KNRXPSXSKMZADD-SFHVURJKSA-N	1	1	424.480	3.127	1	0		HGAFMO
CC[C@H](O)[C@@H]1CCC[C@@]23C=C[C@@H](C=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]42)C[N@@H+]13	ZINC000085532592	291234928	/nfs/dbraw/zinc/23/49/28/291234928.db2.gz	IBLHUYGHYCXKAE-IVNYRJKLSA-N	1	1	413.514	3.405	1	0	biogenic,in-vitro	HGAFMO
CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35CCC[C@H]5[C@H]2[NH2+]1)[C@@]1(O)CCC[C@](C)(C1)C[C@H]4O	ZINC000085547418	291235766	/nfs/dbraw/zinc/23/57/66/291235766.db2.gz	RCASWXADBKICPD-ZSQYDUFNSA-N	1	1	402.623	3.215	1	0	biogenic,in-vitro	HGAFMO
NC(=[NH2+])c1cccc(N2CCCCN(C3CCN(Cc4ccccn4)CC3)C2=O)c1	ZINC000026823692	581097252	/nfs/dbraw/zinc/09/72/52/581097252.db2.gz	HJNWBAQDUVUXHQ-UHFFFAOYSA-N	1	1	406.534	3.052	1	0		HGAFMO
CNC(=[NH2+])N[C@H](C)CCCC(=O)C=C(O)CCc1ccc(O)c(OC2CCCC2)c1	ZINC000085627149	291235815	/nfs/dbraw/zinc/23/58/15/291235815.db2.gz	LFZWZRLWAMWGBL-MRXNPFEDSA-N	1	1	417.550	3.477	1	0	biogenic,in-vitro	HGAFMO
Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2)n1C(C)C	ZINC000040847512	581091376	/nfs/dbraw/zinc/09/13/76/581091376.db2.gz	AEMJGAHADFWBRW-UHFFFAOYSA-N	1	1	419.533	3.361	1	0		HGAFMO
COc1ccccc1N1CC[NH+](C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1	ZINC000001487217	132247039	/nfs/dbraw/zinc/24/70/39/132247039.db2.gz	DVYBIZHLZSDANU-KRWDZBQOSA-N	1	1	421.570	3.312	1	0		HGAFMO
COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C	ZINC000095910376	291236314	/nfs/dbraw/zinc/23/63/14/291236314.db2.gz	NYZQJBRFZJFPKA-AUJUDHOHSA-N	1	1	415.486	3.030	1	0	biogenic,in-vitro	HGAFMO
COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](C3CSCCSC3)C1)CC2	ZINC000020536671	523032464	/nfs/dbraw/zinc/03/24/64/523032464.db2.gz	XFKUSZFLGDIREP-SFHVURJKSA-N	1	1	408.633	3.375	1	0		HGAFMO
CC[NH2+]C[C@@](O)(CCCCCCC[C@H]1CC[N@H+]2[C@@H](C)[C@H](O)CC[C@H]2C1)CC(=O)[O-]	ZINC000085488238	291234411	/nfs/dbraw/zinc/23/44/11/291234411.db2.gz	LCKLHWRKIDBJEH-YKZCJQPKSA-N	1	1	412.615	3.156	1	0	biogenic,in-vitro	HGAFMO
CC[NH+]1CCN(C(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)CC1	ZINC000043010873	581096289	/nfs/dbraw/zinc/09/62/89/581096289.db2.gz	BFFIVGKOIKVGER-UHFFFAOYSA-N	1	1	415.622	3.432	1	0		HGAFMO
COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](C3CSCCSC3)C1)CC2	ZINC000020536669	523031235	/nfs/dbraw/zinc/03/12/35/523031235.db2.gz	XFKUSZFLGDIREP-GOSISDBHSA-N	1	1	408.633	3.375	1	0		HGAFMO
CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2)nc2c1nc(C)nc2N1CCOCC1	ZINC000007991861	132326911	/nfs/dbraw/zinc/32/69/11/132326911.db2.gz	FLRFTTRLGXEWMW-LJQANCHMSA-N	1	1	406.534	3.123	1	0		HGAFMO
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(Cl)cccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000040952773	581099991	/nfs/dbraw/zinc/09/99/91/581099991.db2.gz	HWEVEQFMAGTKGM-UHFFFAOYSA-N	1	1	408.893	3.059	1	0		HGAFMO
O=C(CCC[NH+]1CCOCC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12	ZINC000013652906	581101330	/nfs/dbraw/zinc/10/13/30/581101330.db2.gz	XXXKQEXIEAANOA-UHFFFAOYSA-N	1	1	403.482	3.150	1	0		HGAFMO
CCN1CC[NH+](CCCOc2ccc3[nH]c(-c4cccc5c4C(=O)NC5)cc3c2)CC1	ZINC000040423583	581095745	/nfs/dbraw/zinc/09/57/45/581095745.db2.gz	YUDPJZYRAIXXMD-UHFFFAOYSA-N	1	1	418.541	3.485	1	0		HGAFMO
C[C@H](C(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21)[N@@H+]1CCc2ccccc2C1	ZINC000004077552	132270860	/nfs/dbraw/zinc/27/08/60/132270860.db2.gz	KWZSGSFNDBWIGV-OAHLLOKOSA-N	1	1	404.466	3.225	3	0		HGAFMO
C[C@H](C(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21)[N@H+]1CCc2ccccc2C1	ZINC000004077552	132270864	/nfs/dbraw/zinc/27/08/64/132270864.db2.gz	KWZSGSFNDBWIGV-OAHLLOKOSA-N	1	1	404.466	3.225	3	0		HGAFMO
CC(=O)Nc1cc(-c2cccc(O[C@H]3CCC[N@H+](C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040402509	581093557	/nfs/dbraw/zinc/09/35/57/581093557.db2.gz	UUVIEOWDBDXRFC-FQEVSTJZSA-N	1	1	420.517	3.378	1	0		HGAFMO
CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2)nc2c1nc(C)nc2N1CCOCC1	ZINC000007991862	132326916	/nfs/dbraw/zinc/32/69/16/132326916.db2.gz	FLRFTTRLGXEWMW-IBGZPJMESA-N	1	1	406.534	3.123	1	0		HGAFMO
CC(=O)Nc1cc(-c2cc(F)cc(O[C@@H]3CC[N@H+](C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040895689	581093542	/nfs/dbraw/zinc/09/35/42/581093542.db2.gz	KNRXPSXSKMZADD-GOSISDBHSA-N	1	1	424.480	3.127	1	0		HGAFMO
Nc1nc(NC[C@H]2CCC[N@H+]2Cc2ccnc(Cl)c2)cc2nc(-c3ccco3)nn21	ZINC000028383573	581095968	/nfs/dbraw/zinc/09/59/68/581095968.db2.gz	MOLYVNPFVBFSRV-CQSZACIVSA-N	1	1	424.896	3.091	1	0		HGAFMO
COc1cccc(-c2cn(-c3ccc(CC[N@@H+](C)CCO)cc3)c3ncnc(N)c23)c1	ZINC000003815324	581096165	/nfs/dbraw/zinc/09/61/65/581096165.db2.gz	DYVPNYHYZSMFSR-UHFFFAOYSA-N	1	1	417.513	3.145	1	0		HGAFMO
CC(=O)Nc1cc(-c2cccc(O[C@@H]3CCC[N@H+](C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040402506	581093591	/nfs/dbraw/zinc/09/35/91/581093591.db2.gz	UUVIEOWDBDXRFC-HXUWFJFHSA-N	1	1	420.517	3.378	1	0		HGAFMO
C[C@@H](C(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21)[N@@H+]1CCc2ccccc2C1	ZINC000004077551	132270785	/nfs/dbraw/zinc/27/07/85/132270785.db2.gz	KWZSGSFNDBWIGV-HNNXBMFYSA-N	1	1	404.466	3.225	3	0		HGAFMO
C[C@@H](C(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21)[N@H+]1CCc2ccccc2C1	ZINC000004077551	132270787	/nfs/dbraw/zinc/27/07/87/132270787.db2.gz	KWZSGSFNDBWIGV-HNNXBMFYSA-N	1	1	404.466	3.225	3	0		HGAFMO
CC[NH2+]C[C@@](O)(CCCCCCC[C@@H]1C=C[N@@H+]2[C@@H](C)[C@H](O)CC[C@H]2C1)CC(=O)[O-]	ZINC000103573273	291234422	/nfs/dbraw/zinc/23/44/22/291234422.db2.gz	WXWUNSRDEWGYSH-UKPGDCENSA-N	1	1	410.599	3.280	1	0	biogenic,in-vitro	HGAFMO