smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CSC(=S)N1N1C(=O)[C@H]2[C@@H](C1=O)C1C=CC2[C@H]2C(=O)N(N3C(=O)CSC3=S)C(=O)[C@H]21	ZINC000036416650	554224635	/nfs/dbraw/zinc/22/46/35/554224635.db2.gz	VPPAABKEGGEKCO-HIYNLXIASA-N	0	0	508.584	-0.445	50	10		KBCARN
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000070665256	553596081	/nfs/dbraw/zinc/59/60/81/553596081.db2.gz	MVWBYZZUZQBMFZ-FPDJOHNTSA-N	0	0	531.470	-0.263	50	10	biogenic	KBCARN
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000070665261	553596072	/nfs/dbraw/zinc/59/60/72/553596072.db2.gz	MVWBYZZUZQBMFZ-LEKAPFLCSA-N	0	0	531.470	-0.263	50	10	biogenic	KBCARN
COc1c(O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079189744	553667299	/nfs/dbraw/zinc/66/72/99/553667299.db2.gz	POHSHDAKXFIOAX-AFOYLGMVSA-N	0	0	560.556	-0.154	50	10	biogenic	KBCARN
COc1c(O)c(CN2CCN(CCOc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079193247	553668641	/nfs/dbraw/zinc/66/86/41/553668641.db2.gz	GPPNFRHQOAAGBZ-AFOYLGMVSA-N	0	0	546.573	-0.004	50	10	biogenic	KBCARN
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000105364382	571404365	/nfs/dbraw/zinc/40/43/65/571404365.db2.gz	MVWBYZZUZQBMFZ-FYEJASGKSA-N	0	0	531.470	-0.263	50	10	biogenic	KBCARN
COc1c(O)c(CN2CCN(CCOc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170621986	571562855	/nfs/dbraw/zinc/56/28/55/571562855.db2.gz	GPPNFRHQOAAGBZ-PEIMUEQGSA-N	0	0	546.573	-0.004	50	10		KBCARN
COc1c(O)c(CN2CCN(CCOc3ccccc3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170621988	571562804	/nfs/dbraw/zinc/56/28/04/571562804.db2.gz	GPPNFRHQOAAGBZ-GBTWPGOASA-N	0	0	546.573	-0.004	50	10		KBCARN
COc1c(O)c(CN2CCN(CCOc3ccccc3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000170621989	1066210960	/nfs/dbraw/zinc/21/09/60/1066210960.db2.gz	GPPNFRHQOAAGBZ-URKLEXGHSA-N	0	0	546.573	-0.004	50	10		KBCARN
COc1c(O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622006	1066211058	/nfs/dbraw/zinc/21/10/58/1066211058.db2.gz	POHSHDAKXFIOAX-PEIMUEQGSA-N	0	0	560.556	-0.154	50	10		KBCARN
COc1c(O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622007	1066210991	/nfs/dbraw/zinc/21/09/91/1066210991.db2.gz	POHSHDAKXFIOAX-GBTWPGOASA-N	0	0	560.556	-0.154	50	10		KBCARN
COc1c(O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000170622008	1066211022	/nfs/dbraw/zinc/21/10/22/1066211022.db2.gz	POHSHDAKXFIOAX-URKLEXGHSA-N	0	0	560.556	-0.154	50	10		KBCARN
COc1c(O)c(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000170625299	571563033	/nfs/dbraw/zinc/56/30/33/571563033.db2.gz	FHZLTMCGUWZSPR-HETCPIBUSA-N	0	0	580.612	-0.386	50	10		KBCARN
CC1(C)OCC([N+](=O)[O-])([N+](=O)[N-]c2nonc2-c2no[n+]([O-])c2-c2nonc2[N-][N+](=O)C2([N+](=O)[O-])COC(C)(C)OC2)CO1	ZINC000225434563	571801905	/nfs/dbraw/zinc/80/19/05/571801905.db2.gz	LOCJPLMUAFZUCS-UHFFFAOYSA-N	0	0	630.444	-0.109	50	10		KBCARN
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000229987743	572177271	/nfs/dbraw/zinc/17/72/71/572177271.db2.gz	MVWBYZZUZQBMFZ-PPWDSJTCSA-N	0	0	531.470	-0.263	50	10		KBCARN
O=C1CSC(=S)N1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(N3C(=O)CSC3=S)C(=O)[C@H]21	ZINC000245285084	572225720	/nfs/dbraw/zinc/22/57/20/572225720.db2.gz	VPPAABKEGGEKCO-AVKKKWDXSA-N	0	0	508.584	-0.445	50	10		KBCARN
O=C1CSC(=S)N1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(N3C(=O)CSC3=S)C(=O)[C@H]21	ZINC000245285085	572225682	/nfs/dbraw/zinc/22/56/82/572225682.db2.gz	VPPAABKEGGEKCO-NGVWNFNZSA-N	0	0	508.584	-0.445	50	10		KBCARN
O=C1CSC(=S)N1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(N3C(=O)CSC3=S)C(=O)[C@@H]21	ZINC000245285086	572225693	/nfs/dbraw/zinc/22/56/93/572225693.db2.gz	VPPAABKEGGEKCO-OBOWFAQQSA-N	0	0	508.584	-0.445	50	10		KBCARN
COc1c(O)c(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000888088215	1066204219	/nfs/dbraw/zinc/20/42/19/1066204219.db2.gz	FHZLTMCGUWZSPR-BBHWFCGFSA-N	0	0	580.612	-0.386	50	10		KBCARN