smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](OC(C)=O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(=C/C)COC(=O)/C(=C/C)CO)[C@@H]12	ZINC000004098187	291684800	/nfs/dbraw/zinc/68/48/00/291684800.db2.gz	KECRQSRAHLUNQU-ILTWLPKVSA-N	0	0	516.543	1.721	10	30	biogenic,in-vitro	KDEERN
C=C1CC[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12	ZINC000004102160	560196592	/nfs/dbraw/zinc/19/65/92/560196592.db2.gz	ZTIZYRTUEIGISK-IFULQXDOSA-N	0	0	540.518	1.082	10	30	in-vitro	KDEERN
C=CCNC(=O)O[C@@H]1CC(C(=O)NCC(N)=O)=C[C@@H](NC(=O)c2cc(OC)ccc2Br)[C@H]1OC(=O)NCC=C	ZINC000004221610	291685653	/nfs/dbraw/zinc/68/56/53/291685653.db2.gz	DISPRYMDHQEXCK-SFHLNBCPSA-N	0	0	608.446	1.049	10	30		KDEERN
C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)N3CCOCC3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C	ZINC000004222284	552450695	/nfs/dbraw/zinc/45/06/95/552450695.db2.gz	WGAKHEOSQYLNLY-LDWUQXNOSA-N	0	0	504.653	1.904	10	30	biogenic	KDEERN
C=C1C[C@](OC)([C@H](O)C(=O)N[C@@H](OC)[C@@H]2C[C@@H](O)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C	ZINC000005004101	560200362	/nfs/dbraw/zinc/20/03/62/560200362.db2.gz	ZNEZZONMADKYTB-VRCUBXEUSA-N	0	0	503.633	1.376	10	30	in-vitro	KDEERN
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1O	ZINC000008217869	560207164	/nfs/dbraw/zinc/20/71/64/560207164.db2.gz	UIEYIJKBVSNMMH-PIIMIWFASA-N	0	0	541.704	1.576	10	30	in-vitro	KDEERN
CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O)[C@H]2C)O[C@@H](C)[C@@H]1O	ZINC000008436985	560208998	/nfs/dbraw/zinc/20/89/98/560208998.db2.gz	WBLQSDZLJBWRPL-WQMXQYMNSA-N	0	0	530.655	1.458	10	30	in-vitro	KDEERN
CCOC(=O)Cn1c(=O)c2c(nc(NN=Cc3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)n(C)c1=O	ZINC000008892089	553176152	/nfs/dbraw/zinc/17/61/52/553176152.db2.gz	FZMIYOZJBKMWSP-DHRITJCHSA-N	0	0	505.491	1.862	10	30		KDEERN
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N(CCC#N)c3ccc(F)cc3)c2)CC1	ZINC000015280498	561752936	/nfs/dbraw/zinc/75/29/36/561752936.db2.gz	ZYQPEPOVHIUPQW-UHFFFAOYSA-N	0	0	516.551	1.782	10	30		KDEERN
COc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@@H](c2ccc(OC)c(OC)c2)C=3C#N)cc1OC	ZINC000020258861	553629460	/nfs/dbraw/zinc/62/94/60/553629460.db2.gz	DWDKOEJMFRLCTL-JUALLIRVSA-N	0	0	502.483	1.684	10	30		KDEERN
COc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(OC)c(OC)c2)C=3C#N)cc1OC	ZINC000020258863	553629377	/nfs/dbraw/zinc/62/93/77/553629377.db2.gz	DWDKOEJMFRLCTL-ZZKIFARHSA-N	0	0	502.483	1.684	10	30		KDEERN
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	ZINC000026467328	553818608	/nfs/dbraw/zinc/81/86/08/553818608.db2.gz	LUTPIRPNUNHFEV-MBMCFSISSA-N	0	0	652.690	1.863	10	30	biogenic	KDEERN
CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@@]1(C)C(=O)C(=O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000028972187	291688457	/nfs/dbraw/zinc/68/84/57/291688457.db2.gz	UEDMLPVUDFCAQM-IWVNULRZSA-N	0	0	542.581	1.290	10	30	biogenic,in-vitro	KDEERN
COc1ccc(OC[C@@H](O)Cn2c(N=NCc3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000033399080	553958675	/nfs/dbraw/zinc/95/86/75/553958675.db2.gz	JNBFPGGKMWMCNV-PDHRUYIUSA-N	0	0	509.479	1.226	10	30		KDEERN
COc1ccc(OC[C@H](O)Cn2c(N=NCc3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000033399081	553958666	/nfs/dbraw/zinc/95/86/66/553958666.db2.gz	JNBFPGGKMWMCNV-CACIFTLBSA-N	0	0	509.479	1.226	10	30		KDEERN
COC(=O)[C@H]1O[C@@H](O/C(=N\c2ccccc2)C(F)(F)F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000035802922	554075398	/nfs/dbraw/zinc/07/53/98/554075398.db2.gz	YIVKGVGMDKWGAE-ZKILZIJFSA-N	0	0	505.398	1.989	10	30	in-vitro	KDEERN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000042850983	554296882	/nfs/dbraw/zinc/29/68/82/554296882.db2.gz	WMZBAMYUOYXRSF-RIFKXWPOSA-N	0	0	542.581	1.290	10	30	biogenic,in-vitro	KDEERN
CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC000043569636	562649852	/nfs/dbraw/zinc/64/98/52/562649852.db2.gz	UWAHGIGEXYIXRH-FJJHSCLASA-N	0	0	506.633	1.979	10	30		KDEERN
CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC000043569638	562649839	/nfs/dbraw/zinc/64/98/39/562649839.db2.gz	UWAHGIGEXYIXRH-IPMCVVNUSA-N	0	0	506.633	1.979	10	30	in-vitro	KDEERN
O=C1c2cccc3cc(S(=O)(=O)N4CCOCC4)cc(c32)C(=O)N1OS(=O)(=O)c1ccccc1	ZINC000048524110	554322014	/nfs/dbraw/zinc/32/20/14/554322014.db2.gz	WVNADPSZTUWNRK-UHFFFAOYSA-N	0	0	502.526	1.777	10	30		KDEERN
O=C1c2cccc3c(S(=O)(=O)N4CCOCC4)ccc(c32)C(=O)N1OS(=O)(=O)c1ccccc1	ZINC000048524113	554321971	/nfs/dbraw/zinc/32/19/71/554321971.db2.gz	QSEFNMLCNXVMHI-UHFFFAOYSA-N	0	0	502.526	1.777	10	30		KDEERN
COC(=O)[C@H]1O[C@H](O/C(=N/c2ccc(OC)cc2)C(F)(F)F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000059353700	554392562	/nfs/dbraw/zinc/39/25/62/554392562.db2.gz	REVXPVUNZDHHOM-SEORDUBVSA-N	0	0	535.424	1.997	10	30	in-vitro	KDEERN
C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C(C)(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000072131313	553642628	/nfs/dbraw/zinc/64/26/28/553642628.db2.gz	ZRQRPEQSPFAAFS-WGNYYXNJSA-N	0	0	534.945	1.808	10	30	in-vitro	KDEERN
C=CCOC(=O)[C@H]1O[C@@H](OC(=O)c2cn(C3CC3)c3c(cc(F)c(N4C[C@@H]5CCCN(C(=O)OCC=C)[C@@H]5C4)c3OC)c2=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077270793	553656077	/nfs/dbraw/zinc/65/60/77/553656077.db2.gz	JDYPYSSFCBOTCA-NTKFZNBNSA-N	0	0	701.701	1.401	10	30	in-vitro	KDEERN
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1	ZINC000077285476	553658168	/nfs/dbraw/zinc/65/81/68/553658168.db2.gz	KRTGQDGIPNXUGP-ZLQBWVSZSA-O	0	0	603.703	1.293	10	30	in-vitro	KDEERN
CC(=O)OC[C@H]1O[C@@H](S/C(CCCC[S@](C)=O)=N\O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077291196	553659078	/nfs/dbraw/zinc/65/90/78/553659078.db2.gz	RAKGKLGSLMTYBD-GDRBAKECSA-N	0	0	525.598	1.139	10	30	in-vitro	KDEERN
CC(=O)OC[C@H]1O[C@@H](S/C(CCCC[S@@](C)=O)=N\O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077291199	553659098	/nfs/dbraw/zinc/65/90/98/553659098.db2.gz	RAKGKLGSLMTYBD-HCKAYSNTSA-N	0	0	525.598	1.139	10	30	in-vitro	KDEERN
C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C(C)(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000077292512	553659716	/nfs/dbraw/zinc/65/97/16/553659716.db2.gz	ZRQRPEQSPFAAFS-CHSSDKTLSA-N	0	0	534.945	1.808	10	30	in-vitro	KDEERN
C=CCOC(=O)[C@H]1O[C@@H](OC(=O)C(C)(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000077292517	553659675	/nfs/dbraw/zinc/65/96/75/553659675.db2.gz	ZRQRPEQSPFAAFS-BBUKYQEGSA-N	0	0	534.945	1.808	10	30	in-vitro	KDEERN
C=CCOC(=O)[C@H]1O[C@@H](OC(=O)C(C)(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000077292520	553659756	/nfs/dbraw/zinc/65/97/56/553659756.db2.gz	ZRQRPEQSPFAAFS-YGQNSOCVSA-N	0	0	534.945	1.808	10	30	in-vitro	KDEERN
C=CCO[C@@H]1[C@@H](NC(C)=O)[C@H](OC)O[C@H](COCc2ccccc2)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000077302517	553661718	/nfs/dbraw/zinc/66/17/18/553661718.db2.gz	IZTXESWLYZMWTG-ZNWRQMJDSA-N	0	0	695.715	1.119	10	30	in-vitro	KDEERN
COC(=O)[C@H]1O[C@@H](O/C(=N/c2ccc(OC)cc2)C(F)(F)F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077303466	553661991	/nfs/dbraw/zinc/66/19/91/553661991.db2.gz	REVXPVUNZDHHOM-IBTTXDHFSA-N	0	0	535.424	1.997	10	30	in-vitro	KDEERN
C=C1[C@H](OC(=O)c2ccccc2)[C@H]2[C@@H](OC(C)=O)[C@](C)(O)[C@H](O)[C@]2(OC(C)=O)C(=O)[C@@H](C)[C@@H]2O[C@H]2C(C)(C)C(=O)[C@H](O)[C@H]1OC(=O)c1ccccc1	ZINC000085646012	562753344	/nfs/dbraw/zinc/75/33/44/562753344.db2.gz	JFOILMZFESGPDU-GXRLDEOZSA-N	0	0	722.740	1.912	10	30	biogenic,in-vitro	KDEERN
CC(=O)O[C@H]1C[C@@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	ZINC000095908913	291690247	/nfs/dbraw/zinc/69/02/47/291690247.db2.gz	YUGIEMWECOIFRK-MBMCFSISSA-N	0	0	652.690	1.863	10	30	biogenic,in-vitro	KDEERN
CC1(C)O[C@H]2CC(=O)OC[C@@]23C1C(=O)C(=O)[C@]1(C)[C@@H]3C[C@H](O)[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@@]312	ZINC000095912055	553715062	/nfs/dbraw/zinc/71/50/62/553715062.db2.gz	GVZAWWJSPGIYFX-MLAPLXGTSA-N	0	0	500.500	1.914	10	30	biogenic,in-vitro	KDEERN
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000100716042	562807245	/nfs/dbraw/zinc/80/72/45/562807245.db2.gz	XYFFWTYOFPSZRM-TWNAANEASA-N	0	0	545.633	1.721	10	30	investigational	KDEERN
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1O)C2=O	ZINC000100899104	562808491	/nfs/dbraw/zinc/80/84/91/562808491.db2.gz	FQHAJOLMHIBHDX-YBRBUKSTSA-N	0	0	502.608	1.618	10	30		KDEERN
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Cc2c(c(O)c4c(c2O)C(=O)C=C(OC)C4=O)O1)C[C@@H]3O	ZINC000101112654	562809287	/nfs/dbraw/zinc/80/92/87/562809287.db2.gz	VGXVKHPGBHVPMW-GWQKEKGPSA-N	0	0	538.417	1.753	10	30		KDEERN
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@]1(Cc2c(c(O)c4c(c2O)C(=O)C=C(OC)C4=O)O1)C[C@@H]3O	ZINC000101112655	562809284	/nfs/dbraw/zinc/80/92/84/562809284.db2.gz	VGXVKHPGBHVPMW-QDXKXIGTSA-N	0	0	538.417	1.753	10	30		KDEERN
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Cc2c(c(O)c4c(c2O)C(=O)C=C(OC)C4=O)O1)C[C@H]3O	ZINC000101112656	562809263	/nfs/dbraw/zinc/80/92/63/562809263.db2.gz	VGXVKHPGBHVPMW-MZHQLVBMSA-N	0	0	538.417	1.753	10	30		KDEERN
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@]1(Cc2c(c(O)c4c(c2O)C(=O)C=C(OC)C4=O)O1)C[C@H]3O	ZINC000101112657	562809282	/nfs/dbraw/zinc/80/92/82/562809282.db2.gz	VGXVKHPGBHVPMW-RYZVSIALSA-N	0	0	538.417	1.753	10	30		KDEERN
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000103528850	555429625	/nfs/dbraw/zinc/42/96/25/555429625.db2.gz	XYFFWTYOFPSZRM-IPQLZRNVSA-N	0	0	545.633	1.721	10	30	in-vitro	KDEERN
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1O)C2=O	ZINC000103551995	555444128	/nfs/dbraw/zinc/44/41/28/555444128.db2.gz	FQHAJOLMHIBHDX-MLYHDKONSA-N	0	0	502.608	1.618	10	30	in-vitro	KDEERN
COC(=O)[C@@H](O)[C@H]1[C@]2(C)C[C@@]3(O)[C@@H](C(=O)[C@H]2O)[C@]24O[C@]25CC(=O)O[C@@H](c2ccoc2)[C@]5(C)CC[C@H]4[C@]13C	ZINC000105154113	571391710	/nfs/dbraw/zinc/39/17/10/571391710.db2.gz	SZIDPCXTWHHMAY-TYTIMZIPSA-N	0	0	516.543	1.063	10	30	biogenic	KDEERN
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000150342118	571458408	/nfs/dbraw/zinc/45/84/08/571458408.db2.gz	RHEYHPACKVZWRD-PEBLQZBPSA-N	0	0	630.387	1.842	10	30		KDEERN
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1	ZINC000164960683	571552210	/nfs/dbraw/zinc/55/22/10/571552210.db2.gz	JBJDBBVOMMUBLY-UHFFFAOYSA-N	0	0	670.815	1.513	10	30		KDEERN
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Oc2c(c(O)c4c(c2O)C(=O)C(OC)=CC4=O)[C@H]1O[C@@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1)[C@H](O)C3	ZINC000195425264	562871845	/nfs/dbraw/zinc/87/18/45/562871845.db2.gz	MLFZQFHGXSVTGX-KZEJDVERSA-N	0	0	698.586	1.259	10	30		KDEERN
CCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@@H]1OCCO	ZINC000215581115	562877422	/nfs/dbraw/zinc/87/74/22/562877422.db2.gz	HMFKFHLTUCJZJO-LCGRTSHQSA-N	0	0	522.676	1.998	10	30	endogenous,world	KDEERN
CCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@H]1OCCO	ZINC000215581164	562877449	/nfs/dbraw/zinc/87/74/49/562877449.db2.gz	HMFKFHLTUCJZJO-LJCOXQHRSA-N	0	0	522.676	1.998	10	30	endogenous,world	KDEERN
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]45O[C@@]46CC[C@H](C(C)=O)[C@@]6(C)[C@H](O)[C@@H](O)[C@@H]53)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1O	ZINC000255275720	519093792	/nfs/dbraw/zinc/09/37/92/519093792.db2.gz	WGOHWIVFCMYBJP-WBOQEZFXSA-N	0	0	668.821	1.853	10	30		KDEERN
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@@H](O)[C@H]1O	ZINC000257519054	571860076	/nfs/dbraw/zinc/86/00/76/571860076.db2.gz	QBILRDAMJUPXCX-APFMOCKRSA-N	0	0	534.646	1.779	10	30	endogenous,in-man	KDEERN
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@H]1O	ZINC000257519055	571860117	/nfs/dbraw/zinc/86/01/17/571860117.db2.gz	QBILRDAMJUPXCX-MNVQTLHOSA-N	0	0	534.646	1.779	10	30	endogenous,in-man	KDEERN
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@@H]1O	ZINC000257519056	571860133	/nfs/dbraw/zinc/86/01/33/571860133.db2.gz	QBILRDAMJUPXCX-QOGBUXCRSA-N	0	0	534.646	1.779	10	30	endogenous,in-man	KDEERN
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@@H](O)[C@@H]1O	ZINC000257519057	571860113	/nfs/dbraw/zinc/86/01/13/571860113.db2.gz	QBILRDAMJUPXCX-UWFFBNCISA-N	0	0	534.646	1.779	10	30	endogenous,in-man	KDEERN
CN(C)c1cc(NC(=O)C[NH2+]C(C)(C)C)c(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000334161792	572154491	/nfs/dbraw/zinc/15/44/91/572154491.db2.gz	FPZLLRFZJZRHSY-MDLHYYLJSA-N	0	0	585.658	1.563	10	30		KDEERN