smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=S)NC(=O)C1=Cc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000001621541	206387447	/nfs/dbraw/zinc/38/74/47/206387447.db2.gz	XCWNXFLFZLFHAB-UHFFFAOYSA-N	0	0	386.414	-0.485	40	10		GBCBRN
C[C@@H]1C[C@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)O1	ZINC000004357677	570973081	/nfs/dbraw/zinc/97/30/81/570973081.db2.gz	YVOCVTUPLXAKTB-LLRFDILLSA-N	0	0	384.429	-0.805	40	10		GBCBRN
C[C@H]1C[C@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)O1	ZINC000004357681	204040495	/nfs/dbraw/zinc/04/04/95/204040495.db2.gz	YVOCVTUPLXAKTB-FOAIURDYSA-N	0	0	384.429	-0.805	40	10		GBCBRN
C[C@@H]1C[C@@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)O1	ZINC000004357686	204041182	/nfs/dbraw/zinc/04/11/82/204041182.db2.gz	YVOCVTUPLXAKTB-MEAKJQEHSA-N	0	0	384.429	-0.805	40	10		GBCBRN
C[C@H]1C[C@@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)O1	ZINC000004357691	570972920	/nfs/dbraw/zinc/97/29/20/570972920.db2.gz	YVOCVTUPLXAKTB-DNRKZUHNSA-N	0	0	384.429	-0.805	40	10		GBCBRN
CCN1C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](CO)(C(=O)OC)[C@@H]2C1=O	ZINC000004856760	208546259	/nfs/dbraw/zinc/54/62/59/208546259.db2.gz	MSFSFIKKXOMASX-MMMWYMCRSA-N	0	0	375.425	-0.078	40	10		GBCBRN
CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](CO)(C(=O)OC)N[C@@H]2c1ccc(N(C)C)cc1	ZINC000004856766	570638415	/nfs/dbraw/zinc/63/84/15/570638415.db2.gz	MSFSFIKKXOMASX-NXEZDXNNSA-N	0	0	375.425	-0.078	40	10		GBCBRN
O=C1/C(=C/c2ccccc2)SC(=S)N1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005430515	530073307	/nfs/dbraw/zinc/07/33/07/530073307.db2.gz	ZCYBHXIIHMGYMO-UXUOTWFBSA-N	0	0	383.447	-0.312	40	10		GBCBRN
O=C1/C(=C/c2ccccc2)SC(=S)N1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005430516	530073198	/nfs/dbraw/zinc/07/31/98/530073198.db2.gz	ZCYBHXIIHMGYMO-RORZWGSUSA-N	0	0	383.447	-0.312	40	10		GBCBRN
C=C(c1ccco1)C1SC(=S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1=O	ZINC000005430523	206610806	/nfs/dbraw/zinc/61/08/06/206610806.db2.gz	MNYVNYZCEFMGJF-NGSVPURTSA-N	0	0	387.435	-0.329	40	10		GBCBRN
C=C(c1ccco1)C1SC(=S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1=O	ZINC000005430524	530073351	/nfs/dbraw/zinc/07/33/51/530073351.db2.gz	MNYVNYZCEFMGJF-PYOYNVGWSA-N	0	0	387.435	-0.329	40	10		GBCBRN
C=C(c1ccco1)C1SC(=S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1=O	ZINC000005502440	530073143	/nfs/dbraw/zinc/07/31/43/530073143.db2.gz	MNYVNYZCEFMGJF-WRYKYGROSA-N	0	0	387.435	-0.329	40	10		GBCBRN
C=C(c1ccco1)C1SC(=S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1=O	ZINC000005502442	204135505	/nfs/dbraw/zinc/13/55/05/204135505.db2.gz	MNYVNYZCEFMGJF-XNETURFPSA-N	0	0	387.435	-0.329	40	10		GBCBRN
O=C1/C(=C\c2ccccc2)SC(=S)N1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006568063	530073609	/nfs/dbraw/zinc/07/36/09/530073609.db2.gz	ZCYBHXIIHMGYMO-HFUOVROASA-N	0	0	383.447	-0.312	40	10		GBCBRN
O=C1/C(=C\c2ccccc2)SC(=S)N1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006568064	204184500	/nfs/dbraw/zinc/18/45/00/204184500.db2.gz	ZCYBHXIIHMGYMO-DBVJWBOYSA-N	0	0	383.447	-0.312	40	10		GBCBRN
NC(=O)C1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccccc3O)[C@@H]2O)CC1	ZINC000012529667	291097661	/nfs/dbraw/zinc/09/76/61/291097661.db2.gz	NAMJLSZEXJBDMC-ZQOJQMTGSA-N	0	0	377.441	-0.468	40	10	biogenic,in-vitro	GBCBRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(N(C)C)cc1)N[C@@]2(CO)C(=O)OC	ZINC000019526808	570928374	/nfs/dbraw/zinc/92/83/74/570928374.db2.gz	MSFSFIKKXOMASX-XTDOFWJNSA-N	0	0	375.425	-0.078	40	10		GBCBRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)N[C@@]2(CO)C(=O)OC	ZINC000019526809	570928401	/nfs/dbraw/zinc/92/84/01/570928401.db2.gz	MSFSFIKKXOMASX-XMDUPGNXSA-N	0	0	375.425	-0.078	40	10		GBCBRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)N[C@]2(CO)C(=O)OC	ZINC000229940034	209003905	/nfs/dbraw/zinc/00/39/05/209003905.db2.gz	MSFSFIKKXOMASX-XLPNERPQSA-N	0	0	375.425	-0.078	40	10		GBCBRN
CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](CO)(C(=O)OC)[C@H]2C1=O	ZINC000245230168	521531027	/nfs/dbraw/zinc/53/10/27/521531027.db2.gz	MSFSFIKKXOMASX-QCUYGVNKSA-N	0	0	375.425	-0.078	40	10		GBCBRN
COCC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccc(O)c(O)c3)C2)C1	ZINC000604381783	570352606	/nfs/dbraw/zinc/35/26/06/570352606.db2.gz	ODNVMSVLCIVCGE-OAHLLOKOSA-N	0	0	377.441	-0.158	40	10	biogenic,in-vitro	GBCBRN