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([O-])[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000001529781	484037816	/nfs/dbraw/zinc/03/78/16/484037816.db2.gz	CWVRJTMFETXNAD-PNQZTZQXSA-N	-1	0	354.311	-0.646	50	10	biogenic,in-vitro	FBCARM
O=C([O-])[C@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000001532490	206887993	/nfs/dbraw/zinc/88/79/93/206887993.db2.gz	CWVRJTMFETXNAD-ZZVAFGPTSA-N	-1	0	354.311	-0.646	50	10	biogenic,in-man	FBCARM
O=C([O-])[C@@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000001532763	483397082	/nfs/dbraw/zinc/39/70/82/483397082.db2.gz	CWVRJTMFETXNAD-KJOPMHRFSA-N	-1	0	354.311	-0.646	50	10	biogenic,in-man	FBCARM
O=C([O-])[C@@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)C1	ZINC000001599733	483397585	/nfs/dbraw/zinc/39/75/85/483397585.db2.gz	CWVRJTMFETXNAD-JURSRTDWSA-N	-1	0	354.311	-0.646	50	10	endogenous,in-man	FBCARM
Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-]	ZINC000002123788	484332201	/nfs/dbraw/zinc/33/22/01/484332201.db2.gz	GBPNTXPDSKVLTF-UHFFFAOYSA-N	-1	0	364.310	-0.628	50	10		FBCARM
O=C([O-])[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000002138728	483398568	/nfs/dbraw/zinc/39/85/68/483398568.db2.gz	CWVRJTMFETXNAD-JUHZACGLSA-N	-1	0	354.311	-0.646	50	10	endogenous,investigational	FBCARM
CC(=O)N[C@H](CSN=Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC000003771433	206989984	/nfs/dbraw/zinc/98/99/84/206989984.db2.gz	NIPFJIBKHAZCFO-NEQCHNERSA-N	-1	0	369.363	-0.719	50	10		FBCARM
O=C([O-])[C@@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1	ZINC000003947475	483408877	/nfs/dbraw/zinc/40/88/77/483408877.db2.gz	CWVRJTMFETXNAD-FWCWNIRPSA-N	-1	0	354.311	-0.646	50	10	endogenous,in-man	FBCARM
O=C([O-])[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1	ZINC000003947476	210180032	/nfs/dbraw/zinc/18/00/32/210180032.db2.gz	CWVRJTMFETXNAD-XGVQRKRESA-N	-1	0	354.311	-0.646	50	10	in-man	FBCARM
O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000004096248	219541718	/nfs/dbraw/zinc/54/17/18/219541718.db2.gz	CWVRJTMFETXNAD-NXLLHMKUSA-N	-1	0	354.311	-0.646	50	10	biogenic,in-vitro	FBCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000005635662	483416007	/nfs/dbraw/zinc/41/60/07/483416007.db2.gz	GBFLLINKZCAFII-WZUFQYTHSA-N	-1	0	369.761	-0.888	50	10		FBCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCCO)C2=O)cc1OC	ZINC000006092050	219713414	/nfs/dbraw/zinc/71/34/14/219713414.db2.gz	WIQNJWKEEDENOU-BENRWUELSA-N	-1	0	363.370	-0.210	50	10		FBCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC(C)(CO)CO)C2=O)cc1	ZINC000006573400	485252872	/nfs/dbraw/zinc/25/28/72/485252872.db2.gz	BAFRQJQVFVUNMJ-JYRVWZFOSA-N	-1	0	363.370	-0.115	50	10		FBCARM
CC(=O)N[C@@H](CSN=Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC000008565726	207237049	/nfs/dbraw/zinc/23/70/49/207237049.db2.gz	NIPFJIBKHAZCFO-ZKPKCDEPSA-N	-1	0	369.363	-0.719	50	10		FBCARM
CON(C)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000009705411	485140564	/nfs/dbraw/zinc/14/05/64/485140564.db2.gz	JGQZQSDLCPMNFW-UHFFFAOYSA-N	-1	0	354.344	-0.470	50	10		FBCARM
O=C([O-])[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000013508092	483461292	/nfs/dbraw/zinc/46/12/92/483461292.db2.gz	CWVRJTMFETXNAD-XYXZIBEBSA-N	-1	0	354.311	-0.646	50	10	endogenous,in-man	FBCARM
O=C([O-])[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000017263588	220211657	/nfs/dbraw/zinc/21/16/57/220211657.db2.gz	CWVRJTMFETXNAD-YRKFRAOSSA-N	-1	0	354.311	-0.646	50	10	biogenic,in-vivo	FBCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2	ZINC000019325847	483485516	/nfs/dbraw/zinc/48/55/16/483485516.db2.gz	QZHVBDWXAFJEPZ-NSIKDUERSA-N	-1	0	368.397	-0.699	50	10		FBCARM
O=C(c1ccccc1)N1CCN(CCNC=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000019907389	526793637	/nfs/dbraw/zinc/79/36/37/526793637.db2.gz	XYELICXIDBZGQA-UHFFFAOYSA-N	-1	0	371.397	-0.716	50	10		FBCARM
CC(=O)N1N=C(CNc2n[nH]c(=O)[n-]c2=O)O[C@H]1c1ccc(N(C)C)cc1	ZINC000021151636	211309393	/nfs/dbraw/zinc/30/93/93/211309393.db2.gz	BTIWVYNGOKJLAD-HNNXBMFYSA-N	-1	0	373.373	-0.173	50	10		FBCARM
CC(=O)N1N=C(CNc2n[nH]c(=O)[n-]c2=O)O[C@@H]1c1ccc(N(C)C)cc1	ZINC000021151640	207767173	/nfs/dbraw/zinc/76/71/73/207767173.db2.gz	BTIWVYNGOKJLAD-OAHLLOKOSA-N	-1	0	373.373	-0.173	50	10		FBCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(CCO)CC2)cc1	ZINC000034926543	483578259	/nfs/dbraw/zinc/57/82/59/483578259.db2.gz	MTBSRFIZCWKLFT-UHFFFAOYSA-N	-1	0	351.403	-0.277	50	10		FBCARM
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)[O-])C[C@H]1O	ZINC000100038257	209207362	/nfs/dbraw/zinc/20/73/62/209207362.db2.gz	GYFFKZTYYAFCTR-JUHZACGLSA-N	-1	0	354.311	-0.646	50	10	endogenous,in-man	FBCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)cc1C	ZINC000100101821	483833859	/nfs/dbraw/zinc/83/38/59/483833859.db2.gz	FXGWQHDETPIPSD-MLPAPPSSSA-N	-1	0	363.370	-0.925	50	10		FBCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC(C)(CO)CO)C2=O)cc1	ZINC000100332706	132232378	/nfs/dbraw/zinc/23/23/78/132232378.db2.gz	BAFRQJQVFVUNMJ-MDWZMJQESA-N	-1	0	363.370	-0.115	50	10		FBCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000100647012	132233033	/nfs/dbraw/zinc/23/30/33/132233033.db2.gz	GBFLLINKZCAFII-VZUCSPMQSA-N	-1	0	369.761	-0.888	50	10		FBCARM
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@@](O)(C(=O)[O-])C[C@H]1O	ZINC000103240311	484583452	/nfs/dbraw/zinc/58/34/52/484583452.db2.gz	GYFFKZTYYAFCTR-QHEBTOHLSA-N	-1	0	354.311	-0.646	50	10		FBCARM
O=C([O-])[C@]1(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000409421828	484409664	/nfs/dbraw/zinc/40/96/64/484409664.db2.gz	CWVRJTMFETXNAD-BMNNCGMMSA-N	-1	0	354.311	-0.646	50	10	endogenous,in-man	FBCARM