smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000002038827	483694311	/nfs/dbraw/zinc/69/43/11/483694311.db2.gz	QQOBRRFOVWGIMD-BQUFFADESA-N	-1	0	371.302	-1.745	40	0		FAABRM
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000003830254	204112236	/nfs/dbraw/zinc/11/22/36/204112236.db2.gz	QQOBRRFOVWGIMD-LPTSXCQYSA-N	-1	0	371.302	-1.745	40	0		FAABRM
CC(=O)OC[C@@H]1O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000003830255	482532941	/nfs/dbraw/zinc/53/29/41/482532941.db2.gz	QQOBRRFOVWGIMD-XYJRDEOASA-N	-1	0	371.302	-1.745	40	0		FAABRM
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000003830256	483723645	/nfs/dbraw/zinc/72/36/45/483723645.db2.gz	QQOBRRFOVWGIMD-FOUMNBMASA-N	-1	0	371.302	-1.745	40	0		FAABRM
CC(=O)OC[C@@H]1O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000003830257	219526529	/nfs/dbraw/zinc/52/65/29/219526529.db2.gz	QQOBRRFOVWGIMD-ZBAXXZLZSA-N	-1	0	371.302	-1.745	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003958669	483688546	/nfs/dbraw/zinc/68/85/46/483688546.db2.gz	NCELYEUIJBVZHF-MZLRFAPHSA-N	-1	0	373.347	-2.510	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003958670	482715551	/nfs/dbraw/zinc/71/55/51/482715551.db2.gz	NCELYEUIJBVZHF-CVBWSWDWSA-N	-1	0	373.347	-2.510	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003958672	483688000	/nfs/dbraw/zinc/68/80/00/483688000.db2.gz	NCELYEUIJBVZHF-UEEUQYHESA-N	-1	0	373.347	-2.510	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003958674	482715307	/nfs/dbraw/zinc/71/53/07/482715307.db2.gz	NCELYEUIJBVZHF-FTCMTTLMSA-N	-1	0	373.347	-2.510	40	0		FAABRM
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000004096078	207000963	/nfs/dbraw/zinc/00/09/63/207000963.db2.gz	VIHGYLJIMMKSBR-BREBYQMCSA-N	-1	0	372.422	-1.109	40	0	in-vitro	FAABRM
C[C@H]1CC[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000004099189	482715049	/nfs/dbraw/zinc/71/50/49/482715049.db2.gz	DSXFHNSGLYXPNG-YDYVGBNJSA-N	-1	0	360.359	-1.210	40	0	biogenic,in-vitro	FAABRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000004899473	483283812	/nfs/dbraw/zinc/28/38/12/483283812.db2.gz	ITYONPBTNRIEBA-SRVKXCTJSA-N	-1	0	363.374	-1.209	40	0		FAABRM
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000004899637	483437661	/nfs/dbraw/zinc/43/76/61/483437661.db2.gz	VIHGYLJIMMKSBR-CWSCBRNRSA-N	-1	0	372.422	-1.109	40	0		FAABRM
O=C([O-])[C@H](CO)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000005062928	482533735	/nfs/dbraw/zinc/53/37/35/482533735.db2.gz	KYTIRPLRFNXNAU-NSHDSACASA-N	-1	0	353.331	-1.409	40	0		FAABRM
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)nc1SCc1ccccc1	ZINC000005386655	207098518	/nfs/dbraw/zinc/09/85/18/207098518.db2.gz	IKEYLHWZCCHPGE-OXIWPEFWSA-N	-1	0	367.383	-1.165	40	0		FAABRM
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)nc1SCc1ccccc1	ZINC000005386656	204207460	/nfs/dbraw/zinc/20/74/60/204207460.db2.gz	IKEYLHWZCCHPGE-ICUOPCATSA-N	-1	0	367.383	-1.165	40	0		FAABRM
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)nc1SCc1ccccc1	ZINC000005386657	207099067	/nfs/dbraw/zinc/09/90/67/207099067.db2.gz	IKEYLHWZCCHPGE-MIJXAVMKSA-N	-1	0	367.383	-1.165	40	0		FAABRM
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)nc1SCc1ccccc1	ZINC000005386658	204207101	/nfs/dbraw/zinc/20/71/01/204207101.db2.gz	IKEYLHWZCCHPGE-BBGACYKPSA-N	-1	0	367.383	-1.165	40	0		FAABRM
C[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005495961	482534002	/nfs/dbraw/zinc/53/40/02/482534002.db2.gz	VLAFRQCSFRYCLC-FXQIFTODSA-N	-1	0	362.339	-3.639	40	0		FAABRM
CO[C@@H]1O[C@H](Nc2nc(SC)[n-]c(=O)c2C(C)=O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000005544783	482533938	/nfs/dbraw/zinc/53/39/38/482533938.db2.gz	LFKCKUHWAUHWEJ-AUUKMSBNSA-N	-1	0	361.376	-1.482	40	0		FAABRM
CO[C@@H]1O[C@@H](Nc2nc(SC)[n-]c(=O)c2C(C)=O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000005544784	204215214	/nfs/dbraw/zinc/21/52/14/204215214.db2.gz	LFKCKUHWAUHWEJ-AMSLCBNBSA-N	-1	0	361.376	-1.482	40	0		FAABRM
CO[C@@H]1O[C@H](Nc2nc(SC)[n-]c(=O)c2C(C)=O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005544787	482533771	/nfs/dbraw/zinc/53/37/71/482533771.db2.gz	LFKCKUHWAUHWEJ-HSGHIRBMSA-N	-1	0	361.376	-1.482	40	0		FAABRM
CO[C@@H]1O[C@@H](Nc2nc(SC)[n-]c(=O)c2C(C)=O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005544789	482534094	/nfs/dbraw/zinc/53/40/94/482534094.db2.gz	LFKCKUHWAUHWEJ-JFIPXVDISA-N	-1	0	361.376	-1.482	40	0		FAABRM
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[n-]1	ZINC000005544944	204214842	/nfs/dbraw/zinc/21/48/42/204214842.db2.gz	APLBJDOFALUWBA-DALOQIEPSA-N	-1	0	353.784	-1.643	40	0		FAABRM
C[C@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005706594	482533596	/nfs/dbraw/zinc/53/35/96/482533596.db2.gz	QAMHALDBICFASN-HZMBPMFUSA-N	-1	0	367.358	-1.021	40	0		FAABRM
C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005706595	482534458	/nfs/dbraw/zinc/53/44/58/482534458.db2.gz	QAMHALDBICFASN-YGRLFVJLSA-N	-1	0	367.358	-1.021	40	0		FAABRM
C[C@H](O)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005706596	207114102	/nfs/dbraw/zinc/11/41/02/207114102.db2.gz	QAMHALDBICFASN-IINYFYTJSA-N	-1	0	367.358	-1.021	40	0		FAABRM
C[C@@H](O)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005706597	219695869	/nfs/dbraw/zinc/69/58/69/219695869.db2.gz	QAMHALDBICFASN-QMTHXVAHSA-N	-1	0	367.358	-1.021	40	0		FAABRM
CNC(=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000005883749	482533872	/nfs/dbraw/zinc/53/38/72/482533872.db2.gz	ROWIKVIWEBGFSY-BQBZGAKWSA-N	-1	0	364.380	-2.063	40	0	in-vitro	FAABRM
CNC(=O)SC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000005883751	219704318	/nfs/dbraw/zinc/70/43/18/219704318.db2.gz	ROWIKVIWEBGFSY-NKWVEPMBSA-N	-1	0	364.380	-2.063	40	0		FAABRM
CNC(=O)SC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000005883754	482533989	/nfs/dbraw/zinc/53/39/89/482533989.db2.gz	ROWIKVIWEBGFSY-RQJHMYQMSA-N	-1	0	364.380	-2.063	40	0		FAABRM
CNC(=O)SC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000005883758	204229952	/nfs/dbraw/zinc/22/99/52/204229952.db2.gz	ROWIKVIWEBGFSY-RNFRBKRXSA-N	-1	0	364.380	-2.063	40	0		FAABRM
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000006486869	483469555	/nfs/dbraw/zinc/46/95/55/483469555.db2.gz	VIHGYLJIMMKSBR-KWBADKCTSA-N	-1	0	372.422	-1.109	40	0		FAABRM
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[n-]1	ZINC000008652712	482537428	/nfs/dbraw/zinc/53/74/28/482537428.db2.gz	APLBJDOFALUWBA-NUPWSADLSA-N	-1	0	353.784	-1.231	40	0		FAABRM
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[n-]1	ZINC000008652713	204337444	/nfs/dbraw/zinc/33/74/44/204337444.db2.gz	APLBJDOFALUWBA-AVIDFEGHSA-N	-1	0	353.784	-1.643	40	0		FAABRM
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[n-]1	ZINC000008652714	482537249	/nfs/dbraw/zinc/53/72/49/482537249.db2.gz	APLBJDOFALUWBA-IRPHGTLLSA-N	-1	0	353.784	-1.643	40	0		FAABRM
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2ncc(=O)[n-]c2=O)OC[C@@H]1OC(C)=O	ZINC000009033111	482528788	/nfs/dbraw/zinc/52/87/88/482528788.db2.gz	RWXMBOHMNHIISC-SQNXGDPESA-N	-1	0	371.302	-1.745	40	0		FAABRM
Cn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c(=O)n(C)c1=O	ZINC000012647508	482764833	/nfs/dbraw/zinc/76/48/33/482764833.db2.gz	BFAULXXTDIBDFC-UHFFFAOYSA-N	-1	0	374.400	-1.468	40	0		FAABRM
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013552225	483711439	/nfs/dbraw/zinc/71/14/39/483711439.db2.gz	VIHGYLJIMMKSBR-NRUUGDAUSA-N	-1	0	372.422	-1.109	40	0		FAABRM
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)[O-]	ZINC000015721443	204616744	/nfs/dbraw/zinc/61/67/44/204616744.db2.gz	CAPIMPNNGSBUKU-QMMMGPOBSA-N	-1	0	360.367	-1.667	40	0		FAABRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)[O-])[C@@H](O)[C@@H]1O	ZINC000017703853	483678987	/nfs/dbraw/zinc/67/89/87/483678987.db2.gz	SOVSEJILHKLDOS-FUTROLMKSA-N	-1	0	367.318	-1.564	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000023397339	482896462	/nfs/dbraw/zinc/89/64/62/482896462.db2.gz	NCELYEUIJBVZHF-UNNHYBLFSA-N	-1	0	373.347	-2.510	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000023397342	220426302	/nfs/dbraw/zinc/42/63/02/220426302.db2.gz	NCELYEUIJBVZHF-JORRXTOJSA-N	-1	0	373.347	-2.510	40	0		FAABRM
NS(=O)(=O)c1ccc([N-][C@@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000025665819	263388931	/nfs/dbraw/zinc/38/89/31/263388931.db2.gz	GBKRMXPMCRWBET-KNZXXDILSA-N	-1	0	350.349	-3.134	40	0		FAABRM
NS(=O)(=O)c1ccc([N-][C@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000025665824	263388959	/nfs/dbraw/zinc/38/89/59/263388959.db2.gz	GBKRMXPMCRWBET-MTVMDMGHSA-N	-1	0	350.349	-3.134	40	0		FAABRM
COc1ccc(/C=C/C(=O)[O-])c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000031155500	483723087	/nfs/dbraw/zinc/72/30/87/483723087.db2.gz	FQWZGEBZILOCET-BJGSYIFTSA-N	-1	0	356.327	-1.028	40	0	biogenic,in-vitro	FAABRM
C[C@@H]1CC[C@@H]2C(C(=O)[O-])=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000031156450	291019754	/nfs/dbraw/zinc/01/97/54/291019754.db2.gz	DSXFHNSGLYXPNG-QHDYKCEISA-N	-1	0	360.359	-1.210	40	0	biogenic,in-vitro	FAABRM
COc1ccc(/C=C\C(=O)[O-])c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000031166230	206507664	/nfs/dbraw/zinc/50/76/64/206507664.db2.gz	FQWZGEBZILOCET-QEQKPWIDSA-N	-1	0	356.327	-1.028	40	0	biogenic,in-vitro	FAABRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1	ZINC000033949581	483533180	/nfs/dbraw/zinc/53/31/80/483533180.db2.gz	ITYONPBTNRIEBA-UTUOFQBUSA-N	-1	0	363.374	-1.209	40	0		FAABRM
O=C([O-])c1cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2oc1=O	ZINC000034282515	204977584	/nfs/dbraw/zinc/97/75/84/204977584.db2.gz	HGMXXIAQZWTZLR-WUGLTUCPSA-N	-1	0	368.294	-1.330	40	0		FAABRM
C[C@@H]1CC[C@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000035455104	207181975	/nfs/dbraw/zinc/18/19/75/207181975.db2.gz	DSXFHNSGLYXPNG-NDMWWPDESA-N	-1	0	360.359	-1.210	40	0	biogenic,in-vitro	FAABRM
C[C@H]1CC[C@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	ZINC000035455106	220784317	/nfs/dbraw/zinc/78/43/17/220784317.db2.gz	DSXFHNSGLYXPNG-BGUCIEKOSA-N	-1	0	360.359	-1.210	40	0	biogenic,in-vitro	FAABRM
O=C([O-])[C@H]1O[C@@H](OC[C@@H](O)COC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000035457686	207181718	/nfs/dbraw/zinc/18/17/18/207181718.db2.gz	DLZMKPZOEYKXHQ-SNPRWZSRSA-N	-1	0	372.326	-1.887	40	0	biogenic,in-vitro	FAABRM
O=C([O-])[C@H]1O[C@@H](OC[C@H](O)COC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000035457690	207182022	/nfs/dbraw/zinc/18/20/22/207182022.db2.gz	DLZMKPZOEYKXHQ-WUMBASQESA-N	-1	0	372.326	-1.887	40	0	biogenic,in-vitro	FAABRM
CC(=O)O[C@@H]1CO[C@@H](n2ncc(=O)[n-]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000035882820	482536935	/nfs/dbraw/zinc/53/69/35/482536935.db2.gz	RWXMBOHMNHIISC-OJAKKHQRSA-N	-1	0	371.302	-1.745	40	0		FAABRM
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@H]1n1ncc(=O)[n-]c1=O	ZINC000035882823	482537712	/nfs/dbraw/zinc/53/77/12/482537712.db2.gz	RWXMBOHMNHIISC-WKSBVSIWSA-N	-1	0	371.302	-1.745	40	0		FAABRM
NS(=O)(=O)c1ccc([N-][C@@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000037246050	482543209	/nfs/dbraw/zinc/54/32/09/482543209.db2.gz	GBKRMXPMCRWBET-KQSJRHEJSA-N	-1	0	350.349	-3.134	40	0		FAABRM
NS(=O)(=O)c1ccc([N-][C@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000037246051	482543286	/nfs/dbraw/zinc/54/32/86/482543286.db2.gz	GBKRMXPMCRWBET-VSSNEEPJSA-N	-1	0	350.349	-3.134	40	0		FAABRM
C[C@@H]1CC[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	ZINC000038895182	483727597	/nfs/dbraw/zinc/72/75/97/483727597.db2.gz	DSXFHNSGLYXPNG-FDXZEBRRSA-N	-1	0	360.359	-1.210	40	0	biogenic,in-vitro	FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]([C@@H](CO)C(=O)[O-])CC1	ZINC000049601634	206089354	/nfs/dbraw/zinc/08/93/54/206089354.db2.gz	IVUFRBWVXKXZMM-AWGZLLKVSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]([C@@H](CO)C(=O)[O-])CC1	ZINC000049601637	221026526	/nfs/dbraw/zinc/02/65/26/221026526.db2.gz	IVUFRBWVXKXZMM-YSSIPNQWSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]([C@H](CO)C(=O)[O-])CC1	ZINC000049601640	221026386	/nfs/dbraw/zinc/02/63/86/221026386.db2.gz	IVUFRBWVXKXZMM-KSKFLYNSSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]([C@H](CO)C(=O)[O-])CC1	ZINC000049601641	209336321	/nfs/dbraw/zinc/33/63/21/209336321.db2.gz	IVUFRBWVXKXZMM-HBUYGEAMSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)[O-])[C@@H](O)[C@H]1O	ZINC000049792507	221027532	/nfs/dbraw/zinc/02/75/32/221027532.db2.gz	SOVSEJILHKLDOS-UISLRAPISA-N	-1	0	367.318	-1.564	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	ZINC000062725155	483705537	/nfs/dbraw/zinc/70/55/37/483705537.db2.gz	VPAYRDIKCLRDTG-ADVQIIOHSA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000062725157	483704992	/nfs/dbraw/zinc/70/49/92/483704992.db2.gz	VPAYRDIKCLRDTG-HAFSJTIUSA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	ZINC000062725159	483705154	/nfs/dbraw/zinc/70/51/54/483705154.db2.gz	VPAYRDIKCLRDTG-YTBGYOSVSA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O	ZINC000062725161	483705422	/nfs/dbraw/zinc/70/54/22/483705422.db2.gz	VPAYRDIKCLRDTG-JAAXMTQOSA-N	-1	0	371.342	-1.284	40	0		FAABRM
CS(=O)(=O)C[C@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)[O-])CC1	ZINC000071404957	482580432	/nfs/dbraw/zinc/58/04/32/482580432.db2.gz	BATRHFPEJHETTP-MNOVXSKESA-N	-1	0	360.454	-2.742	40	0		FAABRM
CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)[O-])CC1	ZINC000071404958	482579828	/nfs/dbraw/zinc/57/98/28/482579828.db2.gz	BATRHFPEJHETTP-QWRGUYRKSA-N	-1	0	360.454	-2.742	40	0		FAABRM
CS(=O)(=O)C[C@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)[O-])CC1	ZINC000071404961	221345857	/nfs/dbraw/zinc/34/58/57/221345857.db2.gz	BATRHFPEJHETTP-GHMZBOCLSA-N	-1	0	360.454	-2.742	40	0		FAABRM
CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)[O-])CC1	ZINC000071404963	221346384	/nfs/dbraw/zinc/34/63/84/221346384.db2.gz	BATRHFPEJHETTP-WDEREUQCSA-N	-1	0	360.454	-2.742	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000078034005	483691449	/nfs/dbraw/zinc/69/14/49/483691449.db2.gz	NCELYEUIJBVZHF-CMYBKFOJSA-N	-1	0	373.347	-2.510	40	0		FAABRM
Nc1nc2c(nc(SCC(=O)[O-])n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000078034006	205038798	/nfs/dbraw/zinc/03/87/98/205038798.db2.gz	NCELYEUIJBVZHF-KAFVXXCXSA-N	-1	0	373.347	-2.510	40	0		FAABRM
O=C([O-])C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12	ZINC000085643888	574416727	/nfs/dbraw/zinc/41/67/27/574416727.db2.gz	ZJDOESGVOWAULF-OVTVVCSCSA-N	-1	0	374.342	-2.318	40	0	endogenous,in-man	FAABRM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1ccccc1C(N)=O	ZINC000102979494	222316319	/nfs/dbraw/zinc/31/63/19/222316319.db2.gz	NZDBOPVVNCJSDC-VIFPVBQESA-N	-1	0	350.283	-1.176	40	0		FAABRM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1ccccc1C(N)=O	ZINC000102979496	222316150	/nfs/dbraw/zinc/31/61/50/222316150.db2.gz	NZDBOPVVNCJSDC-SECBINFHSA-N	-1	0	350.283	-1.176	40	0		FAABRM
CS(=O)(=O)N1CCN2C[C@@H](C(=O)[O-])CN(c3ncccn3)C[C@H]2C1	ZINC000107819512	209280359	/nfs/dbraw/zinc/28/03/59/209280359.db2.gz	UKRXQDSWQCGMAL-NEPJUHHUSA-N	-1	0	355.420	-1.057	40	0		FAABRM
CS(=O)(=O)N1CCN2C[C@H](C(=O)[O-])CN(c3ncccn3)C[C@H]2C1	ZINC000107819517	206024528	/nfs/dbraw/zinc/02/45/28/206024528.db2.gz	UKRXQDSWQCGMAL-RYUDHWBXSA-N	-1	0	355.420	-1.057	40	0		FAABRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000138598719	482933981	/nfs/dbraw/zinc/93/39/81/482933981.db2.gz	KHGXFRFYBJGYGA-QYYRPYCUSA-N	-1	0	362.268	-1.294	40	0		FAABRM
C[C@H]([NH3+])C(=O)N[C@]1(C(=O)[O-])C[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)[O-])[C@H]21	ZINC000204656781	482574875	/nfs/dbraw/zinc/57/48/75/482574875.db2.gz	BBGHHIUQOKQCBW-RZJFFSNSSA-N	-1	0	355.376	-1.097	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000216303156	483721595	/nfs/dbraw/zinc/72/15/95/483721595.db2.gz	VPAYRDIKCLRDTG-JHZZJYKESA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000216303205	483721416	/nfs/dbraw/zinc/72/14/16/483721416.db2.gz	VPAYRDIKCLRDTG-YMSVYLFOSA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000216303253	483721722	/nfs/dbraw/zinc/72/17/22/483721722.db2.gz	VPAYRDIKCLRDTG-AQRJEWBLSA-N	-1	0	371.342	-1.284	40	0		FAABRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)[O-])[C@H](O)[C@@H]1O	ZINC000218850130	483123609	/nfs/dbraw/zinc/12/36/09/483123609.db2.gz	SOVSEJILHKLDOS-PNMMZTQSSA-N	-1	0	367.318	-1.564	40	0		FAABRM
C[C@@H]1CC[C@@H]2C(C(=O)[O-])=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	ZINC000221477722	482701419	/nfs/dbraw/zinc/70/14/19/482701419.db2.gz	DSXFHNSGLYXPNG-QYLXOBIESA-N	-1	0	360.359	-1.210	40	0	biogenic,in-vitro	FAABRM
COc1c(CCC(=O)[O-])cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000225458507	560043593	/nfs/dbraw/zinc/04/35/93/560043593.db2.gz	VLHQGQCFFBCKMV-RSQMQNDGSA-N	-1	0	358.343	-1.109	40	0	biogenic,in-vitro	FAABRM
COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1NC(C)=O	ZINC000242688385	483724557	/nfs/dbraw/zinc/72/45/57/483724557.db2.gz	VPAYRDIKCLRDTG-USRAEIGSSA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O	ZINC000242688387	483724281	/nfs/dbraw/zinc/72/42/81/483724281.db2.gz	VPAYRDIKCLRDTG-WZYWGQKZSA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000242688389	483724563	/nfs/dbraw/zinc/72/45/63/483724563.db2.gz	VPAYRDIKCLRDTG-XSEXMBABSA-N	-1	0	371.342	-1.284	40	0		FAABRM
COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O	ZINC000242688391	483724552	/nfs/dbraw/zinc/72/45/52/483724552.db2.gz	VPAYRDIKCLRDTG-XYFZXANASA-N	-1	0	371.342	-1.284	40	0		FAABRM
O=C([O-])[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1	ZINC000247379034	482888821	/nfs/dbraw/zinc/88/88/21/482888821.db2.gz	ITYONPBTNRIEBA-IJLUTSLNSA-N	-1	0	363.374	-1.209	40	0		FAABRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1	ZINC000247379043	482889569	/nfs/dbraw/zinc/88/95/69/482889569.db2.gz	ITYONPBTNRIEBA-WOPDTQHZSA-N	-1	0	363.374	-1.209	40	0		FAABRM
O=C([O-])[C@@H](CCCCNC(=O)COCCO)NC(=O)COCCO	ZINC000247380851	482952960	/nfs/dbraw/zinc/95/29/60/482952960.db2.gz	JETMSGOBDXKGRH-LLVKDONJSA-N	-1	0	350.368	-2.140	40	0		FAABRM
O=C([O-])[C@H](CCCCNC(=O)COCCO)NC(=O)COCCO	ZINC000247380867	482952608	/nfs/dbraw/zinc/95/26/08/482952608.db2.gz	JETMSGOBDXKGRH-NSHDSACASA-N	-1	0	350.368	-2.140	40	0		FAABRM
CS(=O)(=O)N1CCN2C[C@@H](C(=O)[O-])CN(c3ncccn3)C[C@@H]2C1	ZINC000247545420	482952736	/nfs/dbraw/zinc/95/27/36/482952736.db2.gz	UKRXQDSWQCGMAL-VXGBXAGGSA-N	-1	0	355.420	-1.057	40	0		FAABRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)[O-])[C@H](O)[C@H]1O	ZINC000247661705	482637800	/nfs/dbraw/zinc/63/78/00/482637800.db2.gz	SOVSEJILHKLDOS-FTNLVSMZSA-N	-1	0	367.318	-1.564	40	0		FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]([C@H](CO)C(=O)[O-])CC1	ZINC000253532176	520841600	/nfs/dbraw/zinc/84/16/00/520841600.db2.gz	IVUFRBWVXKXZMM-JNLQHCKLSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]([C@@H](CO)C(=O)[O-])CC1	ZINC000253532177	520840431	/nfs/dbraw/zinc/84/04/31/520840431.db2.gz	IVUFRBWVXKXZMM-JVZJHLHDSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]([C@@H](CO)C(=O)[O-])CC1	ZINC000253532178	520841740	/nfs/dbraw/zinc/84/17/40/520841740.db2.gz	IVUFRBWVXKXZMM-PJYSBOOUSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]([C@H](CO)C(=O)[O-])CC1	ZINC000253532179	520841611	/nfs/dbraw/zinc/84/16/11/520841611.db2.gz	IVUFRBWVXKXZMM-WQKPTCQYSA-N	-1	0	362.375	-1.778	40	0	biogenic,in-vitro	FAABRM
Cc1cn([C@H]2CN(C(=O)C=CC(=O)[O-])C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257208979	482961301	/nfs/dbraw/zinc/96/13/01/482961301.db2.gz	BOJFHWDWBVWNCJ-XQXGWXTPSA-N	-1	0	367.358	-1.217	40	0		FAABRM
O=C([O-])CCCC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000257212930	223021525	/nfs/dbraw/zinc/02/15/25/223021525.db2.gz	CFLWQNBAQHCDFM-NRMKKVEVSA-N	-1	0	373.337	-1.116	40	0		FAABRM
Cc1cn([C@@H]2C[C@@H](CNC(=O)CCCC(=O)[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000257214437	534502342	/nfs/dbraw/zinc/50/23/42/534502342.db2.gz	CLZZPFLWTBLGAG-GZZJDILISA-N	-1	0	369.374	-1.089	40	0		FAABRM
O=C([O-])CCC(=O)N[C@@H]1C[C@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000257217052	482961911	/nfs/dbraw/zinc/96/19/11/482961911.db2.gz	CXFMSJJLVMJIRV-QTXBENEDSA-N	-1	0	351.319	-1.452	40	0		FAABRM
O=C([O-])CCCC(=O)N[C@@H]1C[C@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000257225698	482961768	/nfs/dbraw/zinc/96/17/68/482961768.db2.gz	FHJHASMBBHCZAQ-BCWBERDBSA-N	-1	0	365.346	-1.062	40	0		FAABRM
O=C([O-])CCC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000257228835	482962013	/nfs/dbraw/zinc/96/20/13/482962013.db2.gz	FVLNMSJVEKOZRL-GAJNKVMBSA-N	-1	0	359.310	-1.506	40	0		FAABRM
CS(=O)(=O)NCC(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1	ZINC000257231504	223031308	/nfs/dbraw/zinc/03/13/08/223031308.db2.gz	GGZQSERBCVTUHU-VXGBXAGGSA-N	-1	0	358.372	-1.116	40	0		FAABRM
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CCC(=O)[O-])[C@@H](O)[C@@H]1O	ZINC000257240418	223033314	/nfs/dbraw/zinc/03/33/14/223033314.db2.gz	HTJHQVDUQAYQIO-QEJJIEOJSA-N	-1	0	364.362	-1.185	40	0		FAABRM
Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](NC(=O)CCC(=O)[O-])CC[C@@H]1O	ZINC000257248657	206608639	/nfs/dbraw/zinc/60/86/39/206608639.db2.gz	JEQWDNLACUFAAL-PTYMLPSESA-N	-1	0	364.362	-1.185	40	0		FAABRM
O=C([O-])CCCC(=O)N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000257276760	482962969	/nfs/dbraw/zinc/96/29/69/482962969.db2.gz	NUZKCMMGFOBVQA-HFOBELJZSA-N	-1	0	355.347	-1.255	40	0		FAABRM
Cc1cn([C@@H]2C[C@@H](CNC(=O)CCC(=O)[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000257280475	534501887	/nfs/dbraw/zinc/50/18/87/534501887.db2.gz	OLBARQLAPZBIKS-HIAZDOBYSA-N	-1	0	355.347	-1.479	40	0		FAABRM
Cc1cn([C@H]2C[C@H](CNC(=O)CCC(=O)[O-])[C@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000257280476	482963663	/nfs/dbraw/zinc/96/36/63/482963663.db2.gz	OLBARQLAPZBIKS-PSJXJDHFSA-N	-1	0	355.347	-1.479	40	0		FAABRM
CS(=O)(=O)NCC(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)[O-])cc2)C1	ZINC000257281824	223049593	/nfs/dbraw/zinc/04/95/93/223049593.db2.gz	ORECDJKXWUTVKZ-VXGBXAGGSA-N	-1	0	358.372	-1.116	40	0		FAABRM
Cc1cn([C@H]2[C@H](O)C[C@H](CNC(=O)CCCC(=O)[O-])[C@@H]2O)c(=O)[nH]c1=O	ZINC000257305404	482963171	/nfs/dbraw/zinc/96/31/71/482963171.db2.gz	SPWCSGHSLCZPBX-JYILRKAJSA-N	-1	0	369.374	-1.089	40	0		FAABRM
Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](CNC(=O)CCC(=O)[O-])C[C@@H]1O	ZINC000257315617	223063476	/nfs/dbraw/zinc/06/34/76/223063476.db2.gz	VCDRZNAPSJRYLW-GYBADROVSA-N	-1	0	364.362	-1.328	40	0		FAABRM
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CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)CCC(=O)[O-])[C@H](O)[C@@H]1O	ZINC000257317603	209995815	/nfs/dbraw/zinc/99/58/15/209995815.db2.gz	VKLOTXYEYKUKAX-BOOASOPXSA-N	-1	0	364.362	-1.116	40	0		FAABRM
Nc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)CCCC(=O)[O-])[C@@H](O)[C@H]1O	ZINC000257319117	223064649	/nfs/dbraw/zinc/06/46/49/223064649.db2.gz	VQVWPMHQELIAIQ-BCWBERDBSA-N	-1	0	364.362	-1.185	40	0		FAABRM
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)/C=C/C(=O)[O-])[C@@H](O)[C@@H]1O	ZINC000257319956	263464189	/nfs/dbraw/zinc/46/41/89/263464189.db2.gz	VUTIMRJFRYOVIF-JNLXSRSDSA-N	-1	0	362.346	-1.409	40	0		FAABRM
Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](NC(=O)CCCC(=O)[O-])C[C@@H]1O	ZINC000257325760	482962933	/nfs/dbraw/zinc/96/29/33/482962933.db2.gz	WUHJDQMVBGTWEV-PTYMLPSESA-N	-1	0	364.362	-1.185	40	0		FAABRM
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Cc1cn([C@@H]2CC[C@@H](NC(=O)CCC(=O)[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000257330538	482963086	/nfs/dbraw/zinc/96/30/86/482963086.db2.gz	XOVATSQGXFZIMG-NRMKKVEVSA-N	-1	0	355.347	-1.336	40	0		FAABRM
Cc1cn([C@@H]2CC[C@@H](NC(=O)CCC(=O)[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000257330539	534502430	/nfs/dbraw/zinc/50/24/30/534502430.db2.gz	XOVATSQGXFZIMG-RQSQLSILSA-N	-1	0	355.347	-1.336	40	0		FAABRM
CNc1ncnc2ncn([C@H]3C[C@@H](NC(=O)CCC(=O)[O-])[C@@H](O)[C@H]3O)c21	ZINC000257331018	209999919	/nfs/dbraw/zinc/99/99/19/209999919.db2.gz	XRAOPBJPIQUGEV-BCWBERDBSA-N	-1	0	364.362	-1.116	40	0		FAABRM
O=C([O-])COCC(=O)N1C[C@H](O)[C@@H](n2c(=O)[nH]c(=O)c3ccccc32)C1	ZINC000257335243	206628181	/nfs/dbraw/zinc/62/81/81/206628181.db2.gz	YJHAYGDMEQHNDW-RYUDHWBXSA-N	-1	0	363.326	-1.053	40	0		FAABRM
O=C([O-])C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@@H]12	ZINC000257771259	571861120	/nfs/dbraw/zinc/86/11/20/571861120.db2.gz	ZJDOESGVOWAULF-CYEPTXPBSA-N	-1	0	374.342	-2.318	40	0	endogenous,in-man	FAABRM
O=C([O-])C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@H]12	ZINC000257771260	571860935	/nfs/dbraw/zinc/86/09/35/571860935.db2.gz	ZJDOESGVOWAULF-KBBHXQHDSA-N	-1	0	374.342	-2.318	40	0	endogenous,in-man	FAABRM
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O=C([O-])[C@@H](Cc1ccccc1)NC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000514287859	482678975	/nfs/dbraw/zinc/67/89/75/482678975.db2.gz	XEHCAZPHAIWMDW-LREAXHOUSA-N	-1	0	371.342	-1.792	40	0	biogenic,in-vitro	FAABRM
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CC(C)O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000514287882	263773344	/nfs/dbraw/zinc/77/33/44/263773344.db2.gz	WAZVVEWWTPKVME-ASYYIYNTSA-N	-1	0	366.363	-1.622	40	0	biogenic,in-vitro	FAABRM
CC(C)O[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000514287887	263773269	/nfs/dbraw/zinc/77/32/69/263773269.db2.gz	WAZVVEWWTPKVME-LMJYAXHXSA-N	-1	0	366.363	-1.622	40	0	biogenic,in-vitro	FAABRM
CCO[C@@H]1O[C@H](CO)[C@@H](OC(=O)C[C@@](C)(O)CC(=O)[O-])[C@H](O)[C@H]1O	ZINC000514288225	263773861	/nfs/dbraw/zinc/77/38/61/263773861.db2.gz	XJJQWORVCNRQJC-BQOOOELLSA-N	-1	0	352.336	-2.011	40	0	biogenic,in-vitro	FAABRM
CCO[C@@H]1O[C@H](CO)[C@@H](OC(=O)C[C@](C)(O)CC(=O)[O-])[C@H](O)[C@H]1O	ZINC000514288226	482678234	/nfs/dbraw/zinc/67/82/34/482678234.db2.gz	XJJQWORVCNRQJC-UHALYGKOSA-N	-1	0	352.336	-2.011	40	0	biogenic,in-vitro	FAABRM
CCO[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288235	482679309	/nfs/dbraw/zinc/67/93/09/482679309.db2.gz	XULLFWPDLIAXGP-JJHZQFDDSA-N	-1	0	352.336	-2.011	40	0	biogenic,in-vitro	FAABRM
CCO[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288236	263773924	/nfs/dbraw/zinc/77/39/24/263773924.db2.gz	XULLFWPDLIAXGP-KEXGEXHLSA-N	-1	0	352.336	-2.011	40	0	biogenic,in-vitro	FAABRM