smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cccc(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4c3CCC[C@@H]4O)nc2)c1	ZINC000049069324	205124959	/nfs/dbraw/zinc/12/49/59/205124959.db2.gz	UHXPSDJNBUIHJO-IBGZPJMESA-N	-1	0	391.427	2.609	1	0		GFAFRM
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)c1	ZINC000073141624	205355842	/nfs/dbraw/zinc/35/58/42/205355842.db2.gz	NSVJGLXRUVWJIZ-GOSISDBHSA-N	-1	0	390.461	2.700	1	0		GFAFRM
C[C@H](O)[C@H]1CCc2c3c4c(c5c(c(O)c4C(=O)C=C3)[C@H](C)O[C@H](CC(=O)[O-])C5)n21	ZINC000013911945	560220932	/nfs/dbraw/zinc/22/09/32/560220932.db2.gz	AWMWNWIBOOYESP-AYGWYOGXSA-N	-1	0	397.427	2.902	1	0	in-vitro	GFAFRM
O=C([O-])c1ccccc1NC(=O)CCc1nnn2c1ccc1cc(O)ccc12	ZINC000040938740	205076092	/nfs/dbraw/zinc/07/60/92/205076092.db2.gz	JJZOZPDFWAEIFM-UHFFFAOYSA-N	-1	0	376.372	2.858	1	0		GFAFRM
Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)[O-]	ZINC000003936465	204021109	/nfs/dbraw/zinc/02/11/09/204021109.db2.gz	SKAMMHFAAPVGDE-UHFFFAOYSA-N	-1	0	395.459	2.862	1	0		GFAFRM
Cn1c(=O)c2c([O-])c(C(=O)NCc3ccc(F)cc3)ccc2nc1-c1ccco1	ZINC000084713102	205398381	/nfs/dbraw/zinc/39/83/81/205398381.db2.gz	YDTXYOKQBHVTLW-UHFFFAOYSA-N	-1	0	393.374	2.968	1	0		GFAFRM
CN(C)c1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)[O-])cc3c2)cc1	ZINC000095577579	205501393	/nfs/dbraw/zinc/50/13/93/205501393.db2.gz	BNGFTKWOLOLBGI-UHFFFAOYSA-N	-1	0	395.419	2.692	1	0		GFAFRM
O=C([O-])CCC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4	ZINC000073223414	222269323	/nfs/dbraw/zinc/26/93/23/222269323.db2.gz	PXBGCYWEALZWAZ-UHFFFAOYSA-N	-1	0	376.368	2.741	1	0		GFAFRM
O=C([O-])C[C@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn21	ZINC000013781426	204513351	/nfs/dbraw/zinc/51/33/51/204513351.db2.gz	RAHLNQZUBSFSOA-ZDUSSCGKSA-N	-1	0	395.184	2.588	1	0		GFAFRM
COc1ccc2nc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)sc2c1	ZINC000013860757	204516290	/nfs/dbraw/zinc/51/62/90/204516290.db2.gz	XKMRTYNPAFDESO-UHFFFAOYSA-N	-1	0	381.413	2.690	1	0		GFAFRM
C[C@H]1C[C@H]2O[C@H](CO)C[C@H]2O[C@]12CC[C@@]1(CC=C[C@H](/C=C/CCC(=O)[O-])O1)O2	ZINC000040763328	205071434	/nfs/dbraw/zinc/07/14/34/205071434.db2.gz	NRPAJSHSQQDCGG-WPKPSTKJSA-N	-1	0	394.464	2.530	1	0		GFAFRM
C/C=C(\C)C(=O)O[C@@H]1CN(C)CC[C@@H]1c1c([O-])cc(O)c2c(=O)cc(C)oc21	ZINC000049018957	205125944	/nfs/dbraw/zinc/12/59/44/205125944.db2.gz	DSBBHVSUDLJUOE-ZKYNRCFLSA-N	-1	0	387.432	2.810	1	0		GFAFRM
Nc1nc(-c2cc(Cl)cc(Cl)c2)c(I)c(=O)[n-]1	ZINC000003653776	204016764	/nfs/dbraw/zinc/01/67/64/204016764.db2.gz	QXOMUWHOYUICFL-UHFFFAOYSA-N	-1	0	381.988	2.931	1	0		GFAFRM
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C(C)(C)C)CC1	ZINC000005841165	204152647	/nfs/dbraw/zinc/15/26/47/204152647.db2.gz	WMZXJTVNBGZFCT-UHFFFAOYSA-N	-1	0	375.444	2.736	1	0		GFAFRM
CN(CC(=O)[O-])C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1	ZINC000049048686	205126094	/nfs/dbraw/zinc/12/60/94/205126094.db2.gz	ORHBAMAWELIQEG-UHFFFAOYSA-N	-1	0	385.464	2.934	1	0		GFAFRM
COc1ccccc1CNS(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1	ZINC000003045436	203983859	/nfs/dbraw/zinc/98/38/59/203983859.db2.gz	GFXKRGKGCCUSPB-UHFFFAOYSA-N	-1	0	375.402	2.927	1	0		GFAFRM
CC[C@@H](C(=O)NC1[C@@H]2CC3C[C@H]1CC(C(=O)[O-])(C3)C2)N1CCCC(F)(F)C1	ZINC000036286343	205011714	/nfs/dbraw/zinc/01/17/14/205011714.db2.gz	BZGXRUGRHXHQKS-UCTXRZFMSA-N	-1	0	384.467	2.892	1	0		GFAFRM
CC(C)C[C@H]1C(=O)N(NC(=O)c2ccccc2C(=O)[O-])CN1Cc1ccccc1	ZINC000064574074	222074772	/nfs/dbraw/zinc/07/47/72/222074772.db2.gz	ZNUWGPJJJRJHBT-IBGZPJMESA-N	-1	0	395.459	2.746	1	0		GFAFRM
CCc1c(C(=O)C(N)=O)c2c(cc(C)cc2CC(=O)[O-])n1Cc1ccccc1	ZINC000027560734	581094445	/nfs/dbraw/zinc/09/44/45/581094445.db2.gz	HESYYGYYOFPVJJ-UHFFFAOYSA-N	-1	0	378.428	2.856	1	0		GFAFRM
NS(=O)(=O)c1ccc(-n2cc(C(=O)[O-])c(-c3ccc(Cl)cc3)n2)cc1	ZINC000071318958	205280545	/nfs/dbraw/zinc/28/05/45/205280545.db2.gz	AMGLJTTXODUYEM-UHFFFAOYSA-N	-1	0	377.809	2.538	1	0		GFAFRM
O=C([O-])C[C@@H]1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc21	ZINC000073198833	205356285	/nfs/dbraw/zinc/35/62/85/205356285.db2.gz	JIYOUJVUEXKGMY-SNVBAGLBSA-N	-1	0	385.363	2.867	1	0		GFAFRM
CN1CCN(c2ccc3c(=O)c(C(=O)[O-])cn(-c4c(F)cccc4F)c3c2)CC1	ZINC000103280663	205645699	/nfs/dbraw/zinc/64/56/99/205645699.db2.gz	UKKMJBOONKSARQ-UHFFFAOYSA-N	-1	0	399.397	2.719	1	0		GFAFRM
COc1ccc2c(CC(=O)[O-])nn(Cc3nc4ccccc4s3)c(=O)c2c1	ZINC000013860797	207001982	/nfs/dbraw/zinc/00/19/82/207001982.db2.gz	CJXQYMBSOGRKNU-UHFFFAOYSA-N	-1	0	381.413	2.690	1	0		GFAFRM
COc1cc(C2=NN(C(N)=S)[C@H](c3ccccc3)C2)ccc1OCC(=O)[O-]	ZINC000028713510	207346416	/nfs/dbraw/zinc/34/64/16/207346416.db2.gz	BBGKFSGYESCPOE-HNNXBMFYSA-N	-1	0	385.445	2.553	1	0		GFAFRM
COc1c(N2C[C@@H](C)O[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000029123139	207356306	/nfs/dbraw/zinc/35/63/06/207356306.db2.gz	LAKKYQZZALPWFA-PHIMTYICSA-N	-1	0	390.411	2.796	1	0		GFAFRM
COc1ccc(-c2ccn(C[C@@H](O)C(=O)[O-])c2-c2ccc(C(N)=O)cc2C)cc1	ZINC000071280855	207933488	/nfs/dbraw/zinc/93/34/88/207933488.db2.gz	OBIDNHVGRAURCJ-LJQANCHMSA-N	-1	0	394.427	2.684	1	0		GFAFRM
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccc(F)cc3F)[n-]c12	ZINC000095590490	208236064	/nfs/dbraw/zinc/23/60/64/208236064.db2.gz	XKDUKZKOPRGUTK-UHFFFAOYSA-N	-1	0	393.371	2.842	1	0		GFAFRM
COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cn1	ZINC000100013288	208369764	/nfs/dbraw/zinc/36/97/64/208369764.db2.gz	DWOYLJHXYBPRPE-UHFFFAOYSA-N	-1	0	388.383	2.747	1	0		GFAFRM
Cc1cnc(NC(=O)C2=C([O-])N(C)S(=O)(=O)c3ccc(Cl)cc32)s1	ZINC000013605524	206984122	/nfs/dbraw/zinc/98/41/22/206984122.db2.gz	DWLFYKGHMSLWFR-UHFFFAOYSA-N	-1	0	385.854	2.604	1	0		GFAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)[O-]	ZINC000013836414	207002595	/nfs/dbraw/zinc/00/25/95/207002595.db2.gz	RCGYQAZHHZBXTR-LKUXFXEPSA-N	-1	0	390.567	2.743	1	0		GFAFRM
CC[C@]1(N2C(=O)c3ccccc3C2=O)C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000021986448	207245399	/nfs/dbraw/zinc/24/53/99/207245399.db2.gz	MLZNVUPGZYJLKW-FQEVSTJZSA-N	-1	0	377.356	2.555	1	0		GFAFRM
CC[C@@H]1Sc2c(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(C)CC4)cc3n21	ZINC000027525678	207325630	/nfs/dbraw/zinc/32/56/30/207325630.db2.gz	ZLGFTTBBGWHGDS-AWEZNQCLSA-N	-1	0	377.441	2.605	1	0		GFAFRM
C[S@@](=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@@H]2C(=O)[O-]	ZINC000028224396	207336016	/nfs/dbraw/zinc/33/60/16/207336016.db2.gz	BLIQSPOMTUZSPX-RULNZOCKSA-N	-1	0	396.262	2.791	1	0		GFAFRM
O=C(Nc1ccc(-n2ccnc2)cc1)C1=C([O-])C[C@@H](Cc2ccccc2)NC1=O	ZINC000100076049	208370714	/nfs/dbraw/zinc/37/07/14/208370714.db2.gz	JIFBGZWWWVPYRY-QGZVFWFLSA-N	-1	0	388.427	2.754	1	0		GFAFRM
CC(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])c2n3[C@H](C)S2)CC1	ZINC000027525271	207325707	/nfs/dbraw/zinc/32/57/07/207325707.db2.gz	FLBXKHJEHCERTE-NSHDSACASA-N	-1	0	391.468	2.993	1	0		GFAFRM
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000028965805	207353919	/nfs/dbraw/zinc/35/39/19/207353919.db2.gz	KOFZGADJOXHTPZ-CMDGGOBGSA-N	-1	0	392.429	2.996	1	0		GFAFRM
O=C([O-])Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CS(=O)(=O)C3)cc1	ZINC000096923879	208330416	/nfs/dbraw/zinc/33/04/16/208330416.db2.gz	ISUVOYCRPLEUKP-UHFFFAOYSA-N	-1	0	395.440	2.943	1	0		GFAFRM
O=C([O-])C[C@H]1CC[C@H](c2ccc(N3CCOc4nc[nH]c(=O)c4C3=O)cc2)CC1	ZINC000101693282	208395831	/nfs/dbraw/zinc/39/58/31/208395831.db2.gz	OLFUJHSJGGHZHG-OKILXGFUSA-N	-1	0	397.431	2.970	1	0		GFAFRM
CN1C(C(=O)Nc2nc3ccccc3s2)=C([O-])c2ccccc2S1(=O)=O	ZINC000028229992	207338293	/nfs/dbraw/zinc/33/82/93/207338293.db2.gz	QHMQITUIIPNGKQ-UHFFFAOYSA-N	-1	0	387.442	2.796	1	0		GFAFRM
CCOP(=O)(OCC)c1coc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1	ZINC000029227100	207359014	/nfs/dbraw/zinc/35/90/14/207359014.db2.gz	SDUROOAJLXAIRS-ZDUSSCGKSA-N	-1	0	391.357	2.691	1	0		GFAFRM
O=C(Nc1ccc(-n2ccnc2)cc1)C1=C([O-])[C@@H](Cc2ccccc2)CNC1=O	ZINC000100076036	208372620	/nfs/dbraw/zinc/37/26/20/208372620.db2.gz	VMTNAWQFWSOGFD-INIZCTEOSA-N	-1	0	388.427	2.612	1	0		GFAFRM
O=C([O-])c1c2ccccc2nc2c1CN(C[C@@H](O)COc1ccccc1)CC2	ZINC000001502971	206384857	/nfs/dbraw/zinc/38/48/57/206384857.db2.gz	MLVOOMRDOXFWGB-OAHLLOKOSA-N	-1	0	378.428	2.731	1	0		GFAFRM
CCOC(=O)c1c[n-]c(=NN2C(=O)C=C(C)C2=O)nc1-c1ccc(Cl)s1	ZINC000013818162	207000580	/nfs/dbraw/zinc/00/05/80/207000580.db2.gz	WOLVQTMLGKMYNZ-UHFFFAOYSA-N	-1	0	392.824	2.677	1	0		GFAFRM
CCn1c(COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc2cccnc21	ZINC000026825986	207319730	/nfs/dbraw/zinc/31/97/30/207319730.db2.gz	QOLDCLWHRORCOV-HNNXBMFYSA-N	-1	0	382.445	2.924	1	0		GFAFRM
CO[C@H]1[C@@H](CCC(C)C)O[C@@H](OCC(=O)[O-])[C@H](OCc2ccccc2)[C@H]1OC	ZINC000027648377	207329266	/nfs/dbraw/zinc/32/92/66/207329266.db2.gz	VAEAPLDXQLTUQK-OBJCFNGXSA-N	-1	0	396.480	2.864	1	0		GFAFRM
COCC[C@H](CC1(C(=O)NCCOc2ccc(OC)cc2)CCCC1)C(=O)[O-]	ZINC000028641494	207347307	/nfs/dbraw/zinc/34/73/07/207347307.db2.gz	DJSICEUCTVBCIK-MRXNPFEDSA-N	-1	0	393.480	2.878	1	0		GFAFRM
COc1ccc2cc(C(=O)Nc3c([O-])c4ccccc4oc3=O)c(=O)oc2c1	ZINC000029125656	207354865	/nfs/dbraw/zinc/35/48/65/207354865.db2.gz	VOONDOJUBMJCFS-UHFFFAOYSA-N	-1	0	379.324	2.866	1	0		GFAFRM
COc1c(N2COCC2(C)C)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000029123519	207355516	/nfs/dbraw/zinc/35/55/16/207355516.db2.gz	IIOXVADLMLRSNC-UHFFFAOYSA-N	-1	0	376.384	2.755	1	0		GFAFRM
Cn1cc(C2=C(c3cn(C)c4cc(C(=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21	ZINC000013447782	206975545	/nfs/dbraw/zinc/97/55/45/206975545.db2.gz	BQVYRVFEBOGTBZ-UHFFFAOYSA-N	-1	0	399.406	2.935	1	0		GFAFRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])Nc2cc(Br)cc(Br)c21	ZINC000013455168	206975349	/nfs/dbraw/zinc/97/53/49/206975349.db2.gz	VOCVRWBLHFNXGP-RCOVLWMOSA-N	-1	0	393.031	2.737	1	0		GFAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)cc1)[P@@](=O)([O-])O	ZINC000028639423	207345789	/nfs/dbraw/zinc/34/57/89/207345789.db2.gz	NZKKRYAESABOSS-MRXNPFEDSA-N	-1	0	387.369	2.931	1	0		GFAFRM
COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)C1=CCC(=O)N(C(F)F)C1	ZINC000064549100	207801869	/nfs/dbraw/zinc/80/18/69/207801869.db2.gz	OSVAIIKSAAXQGJ-UHFFFAOYSA-N	-1	0	392.358	2.607	1	0		GFAFRM
CC[NH+](CC)CC(C)(C)COC(=O)[C@@H](COP(=O)([O-])[O-])c1ccccc1	ZINC000084759258	208097677	/nfs/dbraw/zinc/09/76/77/208097677.db2.gz	RECALSCYZBPOIH-INIZCTEOSA-N	-1	0	387.413	2.791	1	0	in-man	GFAFRM
O=C([O-])Cc1cccc(Nc2nc(-c3ccccc3)nc3c2CS(=O)(=O)C3)c1	ZINC000096923880	208329210	/nfs/dbraw/zinc/32/92/10/208329210.db2.gz	KBGQHSSMWQBTKL-UHFFFAOYSA-N	-1	0	395.440	2.943	1	0		GFAFRM
COc1c([O-])c2c(O)c(OC)c(-c3ccc4c(c3)OCO4)oc-2c(OC)c1=O	ZINC000015271801	291121157	/nfs/dbraw/zinc/12/11/57/291121157.db2.gz	QJHDZCMOVKMXEK-UHFFFAOYSA-N	-1	0	388.328	2.626	1	0	biogenic,in-vitro	GFAFRM
[NH3+][C@H](CCc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000013522036	206978627	/nfs/dbraw/zinc/97/86/27/206978627.db2.gz	STVSJGZHUJJREA-AEFFLSMTSA-N	-1	0	377.377	2.824	1	0		GFAFRM
CCn1c(COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc2cccnc21	ZINC000026825991	207318835	/nfs/dbraw/zinc/31/88/35/207318835.db2.gz	QOLDCLWHRORCOV-OAHLLOKOSA-N	-1	0	382.445	2.924	1	0		GFAFRM
COc1cc(C2=NN(C(N)=O)[C@@H](c3ccc(F)cc3)C2)ccc1OCC(=O)[O-]	ZINC000028713541	207346566	/nfs/dbraw/zinc/34/65/66/207346566.db2.gz	FBMDLEKWERJXAX-OAHLLOKOSA-N	-1	0	387.367	2.528	1	0		GFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)S[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000028756419	207348508	/nfs/dbraw/zinc/34/85/08/207348508.db2.gz	JFGSPCGBBXYKKA-USXIJHARSA-N	-1	0	393.505	2.748	1	0		GFAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccc[nH]1	ZINC000013589863	206983250	/nfs/dbraw/zinc/98/32/50/206983250.db2.gz	CSHQPNGWOLZNDR-SFHVURJKSA-N	-1	0	377.400	2.693	1	0		GFAFRM
CCc1c(C(=O)C(N)=O)c2c(cccc2O[C@@H](C)C(=O)[O-])n1Cc1ccccc1	ZINC000013445814	206975466	/nfs/dbraw/zinc/97/54/66/206975466.db2.gz	WTPLMBCNINDFBY-ZDUSSCGKSA-N	-1	0	394.427	2.772	1	0		GFAFRM
CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(Cl)cc1	ZINC000027310323	207323694	/nfs/dbraw/zinc/32/36/94/207323694.db2.gz	MGSQIJKBYOYTMF-KGLIPLIRSA-N	-1	0	383.853	2.637	1	0		GFAFRM
CC(=O)S[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000027314961	207323701	/nfs/dbraw/zinc/32/37/01/207323701.db2.gz	DOZOYSPQHWWQPB-HQQWDMGQSA-N	-1	0	397.880	2.883	1	0		GFAFRM
O=C([O-])CNC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12	ZINC000028365260	207341230	/nfs/dbraw/zinc/34/12/30/207341230.db2.gz	VIINBXCPHPGMQK-UHFFFAOYSA-N	-1	0	396.374	2.811	1	0		GFAFRM
CCOCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000095565004	208232378	/nfs/dbraw/zinc/23/23/78/208232378.db2.gz	UJFDLBWYYFZXDS-NFPZBYHESA-N	-1	0	382.497	2.734	1	0	in-man	GFAFRM
C[C@H]1CO[C@]2(C)Oc3c(c(O)c(C(=O)[O-])c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12	ZINC000096901087	208325082	/nfs/dbraw/zinc/32/50/82/208325082.db2.gz	OCZCUQWPKGDVGD-QQHFBSGMSA-N	-1	0	390.432	2.958	1	0		GFAFRM
COc1cc2c(cc1OC)C([O-])=C(C(=O)c1cc(OC)c(OC)c(OC)c1)C2	ZINC000101323988	208389615	/nfs/dbraw/zinc/38/96/15/208389615.db2.gz	UQKXCGKVDCHFBT-AWEZNQCLSA-N	-1	0	386.400	2.968	1	0		GFAFRM
Cc1ncc(C(=O)[O-])c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1	ZINC000013832785	210094006	/nfs/dbraw/zinc/09/40/06/210094006.db2.gz	NDONVZRMRPKHSV-UHFFFAOYSA-N	-1	0	387.403	2.942	1	0		GFAFRM
O=C([O-])c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1	ZINC000013832035	210093209	/nfs/dbraw/zinc/09/32/09/210093209.db2.gz	VVJUKABKTYTLMN-UHFFFAOYSA-N	-1	0	378.428	2.969	1	0		GFAFRM
[NH3+][C@@H](CCc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000013522032	210065190	/nfs/dbraw/zinc/06/51/90/210065190.db2.gz	STVSJGZHUJJREA-SJLPKXTDSA-N	-1	0	377.377	2.824	1	0		GFAFRM
O=C([O-])[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Cc1ccccc1	ZINC000013446648	210060156	/nfs/dbraw/zinc/06/01/56/210060156.db2.gz	JSRPPNHORAJQLL-FQEVSTJZSA-N	-1	0	375.428	2.512	1	0		GFAFRM
CCc1c(C(=O)C(N)=O)c2c(cc(C)cc2OCC(=O)[O-])n1Cc1ccccc1	ZINC000013445781	210060228	/nfs/dbraw/zinc/06/02/28/210060228.db2.gz	POYSBCQIOOZMFS-UHFFFAOYSA-N	-1	0	394.427	2.692	1	0		GFAFRM
COc1cc2c(cc1OC)C([O-])=C(C(=O)c1cc(OC)c(OC)c(OC)c1)C2	ZINC000101323992	211397840	/nfs/dbraw/zinc/39/78/40/211397840.db2.gz	UQKXCGKVDCHFBT-CQSZACIVSA-N	-1	0	386.400	2.968	1	0		GFAFRM
Cc1c(C[C@H](C)C(=O)Nc2ccccc2C(=O)[O-])cnn1-c1ccc(O)cn1	ZINC000049037531	210859802	/nfs/dbraw/zinc/85/98/02/210859802.db2.gz	XNVDEFZPGYQNLQ-LBPRGKRZSA-N	-1	0	380.404	2.797	1	0		GFAFRM
Cc1c(C(=O)C(N)=O)c2c(cccc2O[C@@H](C)C(=O)[O-])n1Cc1ccccc1	ZINC000013445811	210061524	/nfs/dbraw/zinc/06/15/24/210061524.db2.gz	GWHFRTCCSTUDBC-ZDUSSCGKSA-N	-1	0	380.400	2.518	1	0		GFAFRM
O=C([O-])[C@H]1[C@H]2C=C[C@@]3(O2)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)[C@@H]13	ZINC000002091454	209346660	/nfs/dbraw/zinc/34/66/60/209346660.db2.gz	FFCSIQDHUAMNEF-WNPAHNIUSA-N	-1	0	375.424	2.665	1	0		GFAFRM
COc1cc(C)c2c(c1C=O)Oc1c(C=O)c(C(=O)[O-])c(O)c(C)c1OC2=O	ZINC000014694938	209192390	/nfs/dbraw/zinc/19/23/90/209192390.db2.gz	LRRJGRUEHSZJRI-UHFFFAOYSA-N	-1	0	386.312	2.666	1	0		GFAFRM
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccccc3F)[n-]c12	ZINC000095586419	211279867	/nfs/dbraw/zinc/27/98/67/211279867.db2.gz	UBHXBJAMMWFZRB-UHFFFAOYSA-N	-1	0	375.381	2.703	1	0		GFAFRM
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3cccc(F)c3F)[n-]c12	ZINC000095586948	211281395	/nfs/dbraw/zinc/28/13/95/211281395.db2.gz	FPGORJYWLMAUBV-UHFFFAOYSA-N	-1	0	393.371	2.842	1	0		GFAFRM
COc1ccc2c(c1)c(CC(=O)[O-])nn(Cc1nc3ccccc3s1)c2=O	ZINC000013860798	210095732	/nfs/dbraw/zinc/09/57/32/210095732.db2.gz	GAABTUJRXYWNFC-UHFFFAOYSA-N	-1	0	381.413	2.690	1	0		GFAFRM
CN1[C@@H]2CC[C@H]1CN(c1c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c1F)C2	ZINC000013650297	210076171	/nfs/dbraw/zinc/07/61/71/210076171.db2.gz	KXZOFYFZUVMFSQ-TXEJJXNPSA-N	-1	0	389.402	2.596	1	0		GFAFRM
O=C([O-])C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1	ZINC000040395164	210786518	/nfs/dbraw/zinc/78/65/18/210786518.db2.gz	ZFQYHUXDDOLXRV-UHFFFAOYSA-N	-1	0	392.198	2.775	1	0		GFAFRM
C[C@@H](O)[C@@H]1CCc2c3c4c(c5c(c(O)c4C(=O)C=C3)[C@H](C)O[C@H](CC(=O)[O-])C5)n21	ZINC000013911942	560220948	/nfs/dbraw/zinc/22/09/48/560220948.db2.gz	AWMWNWIBOOYESP-ZHPDPMBESA-N	-1	0	397.427	2.902	1	0	in-vitro	GFAFRM
CCC(=O)[N-]/[S@](=N/S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl	ZINC000017222074	210208105	/nfs/dbraw/zinc/20/81/05/210208105.db2.gz	QQDLLWKHFAEWNP-IBGZPJMESA-N	-1	0	377.702	2.946	1	0		GFAFRM
CCc1c(C(=O)C(N)=O)c2c(cccc2O[C@H](C)C(=O)[O-])n1Cc1ccccc1	ZINC000013605137	210072091	/nfs/dbraw/zinc/07/20/91/210072091.db2.gz	WTPLMBCNINDFBY-CYBMUJFWSA-N	-1	0	394.427	2.772	1	0		GFAFRM
Cc1c(CC(=O)[O-])c(-c2ccccc2)nn1Cc1ccc(S(C)(=O)=O)cc1	ZINC000096922300	211351511	/nfs/dbraw/zinc/35/15/11/211351511.db2.gz	GWOGGHMBOMNZNZ-UHFFFAOYSA-N	-1	0	384.457	2.937	1	0		GFAFRM
CNC(=O)c1coc([C@H]2[C@@H](Cc3ccccc3CCC(=O)[O-])[C@H]3CC[C@@H]2O3)n1	ZINC000029217074	210541273	/nfs/dbraw/zinc/54/12/73/210541273.db2.gz	XRRNUAXUYMWVSW-RUENVJTFSA-N	-1	0	384.432	2.555	1	0		GFAFRM
CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)[O-])c2C3=O)CC1	ZINC000061948759	136156277	/nfs/dbraw/zinc/15/62/77/136156277.db2.gz	YJYVOHYKZAIFMJ-UHFFFAOYSA-N	-1	0	385.441	2.998	3	0		GFAFRM
O=C([O-])[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)/C=C/c1ccccc1	ZINC000013446666	210060669	/nfs/dbraw/zinc/06/06/69/210060669.db2.gz	OREDEVGIJKLWAO-VIOKTNGOSA-N	-1	0	387.439	2.983	1	0		GFAFRM
Cc1c(C(=O)C(N)=O)c2c(cccc2O[C@H](C)C(=O)[O-])n1Cc1ccccc1	ZINC000001543775	209332883	/nfs/dbraw/zinc/33/28/83/209332883.db2.gz	GWHFRTCCSTUDBC-CYBMUJFWSA-N	-1	0	380.400	2.518	1	0		GFAFRM
CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1-c1ccc(Cn2cncn2)cc1	ZINC000103244574	211424696	/nfs/dbraw/zinc/42/46/96/211424696.db2.gz	UTKOJRIKEMONMP-UHFFFAOYSA-N	-1	0	384.461	2.517	1	0		GFAFRM
COc1cc2cc(CCCOC(=O)CCCC(=O)[O-])oc(=O)c2cc1OC	ZINC000036388718	210725585	/nfs/dbraw/zinc/72/55/85/210725585.db2.gz	JSIQKSPIUANQPR-UHFFFAOYSA-N	-1	0	378.377	2.541	3	0		GFAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)[P@@](=O)([O-])O)cc2)cc1	ZINC000013680269	210078652	/nfs/dbraw/zinc/07/86/52/210078652.db2.gz	BZVYQWLRCHLAGK-KRWDZBQOSA-N	-1	0	399.405	2.800	1	0	in-vivo	GFAFRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])Nc2cc(Br)cc(Br)c21	ZINC000013455184	210061502	/nfs/dbraw/zinc/06/15/02/210061502.db2.gz	VOCVRWBLHFNXGP-IMTBSYHQSA-N	-1	0	393.031	2.737	1	0		GFAFRM
CCCCCC[C@@H](C(=O)[O-])n1cnc(NC(=O)c2ccccc2-c2nn[nH]n2)c1	ZINC000002013722	212262278	/nfs/dbraw/zinc/26/22/78/212262278.db2.gz	KWLRCNYKVQIFPO-HNNXBMFYSA-N	-1	0	397.439	2.912	1	0		GFAFRM
Cc1c(CC(N)=O)c2c(cccc2OC[P@@](=O)([O-])O)n1Cc1ccccc1	ZINC000013445963	221269496	/nfs/dbraw/zinc/26/94/96/221269496.db2.gz	FOBJTTPHUGXZIA-UHFFFAOYSA-N	-1	0	388.360	2.540	1	0		GFAFRM
C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000103298524	136191192	/nfs/dbraw/zinc/19/11/92/136191192.db2.gz	MSLRNZRJNPZAOJ-SSDOTTSWSA-N	-1	0	386.838	2.636	1	0		GFAFRM
CC[C@H](C)[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000036330569	221850675	/nfs/dbraw/zinc/85/06/75/221850675.db2.gz	DPOYFOOAZSRFCW-LVQBNPGGSA-N	-1	0	393.528	2.650	1	0		GFAFRM
COc1ccc(S(=O)(=O)N2CCc3nc4ccccc4c(C(=O)[O-])c3C2)cc1	ZINC000001502965	212248154	/nfs/dbraw/zinc/24/81/54/212248154.db2.gz	BIEYAMNEYMVMFY-UHFFFAOYSA-N	-1	0	398.440	2.689	1	0		GFAFRM
C[C@@H](N[C@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O)c1ccccc1	ZINC000013440518	221268243	/nfs/dbraw/zinc/26/82/43/221268243.db2.gz	FBOPVIWMYMFESR-QGHHPUGFSA-N	-1	0	375.321	2.568	1	0		GFAFRM
CO[C@@H]1[C@@H](CCC(C)C)O[C@@H](OCC(=O)[O-])[C@@H](OCc2ccccc2)[C@H]1OC	ZINC000013531657	221271524	/nfs/dbraw/zinc/27/15/24/221271524.db2.gz	VAEAPLDXQLTUQK-BVJIBDCISA-N	-1	0	396.480	2.864	1	0		GFAFRM
COc1ccc(CN2c3c(Br)cccc3C([O-])=CS2(=O)=O)cc1	ZINC000061943367	136156091	/nfs/dbraw/zinc/15/60/91/136156091.db2.gz	NZVXESNZGUVSKT-UHFFFAOYSA-N	-1	0	396.262	2.990	3	0		GFAFRM
C[C@H]1C[C@@H]2O[C@@H](CO)C[C@@H]2O[C@]12CC[C@@]1(CC=C[C@H](/C=C/CCC(=O)[O-])O1)O2	ZINC000084739159	222320974	/nfs/dbraw/zinc/32/09/74/222320974.db2.gz	NRPAJSHSQQDCGG-FUUOTMETSA-N	-1	0	394.464	2.530	1	0		GFAFRM
COc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)[O-])cc3c2)cc1	ZINC000095571660	222355970	/nfs/dbraw/zinc/35/59/70/222355970.db2.gz	BEVDCYWWWBUMGK-UHFFFAOYSA-N	-1	0	382.376	2.635	1	0		GFAFRM
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3Cl)no2)c(=O)c2ccccc12	ZINC000013449016	221269653	/nfs/dbraw/zinc/26/96/53/221269653.db2.gz	CZOZCXSPULCHMK-UHFFFAOYSA-N	-1	0	396.790	2.775	1	0		GFAFRM
CCOC(=O)c1c([O-])c2c(I)cc(Cl)cc2[nH]c1=O	ZINC000013833627	221292273	/nfs/dbraw/zinc/29/22/73/221292273.db2.gz	PAVJMXUWUAHTPS-UHFFFAOYSA-N	-1	0	393.564	2.668	1	0		GFAFRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)Nc1ncc(Br)s1	ZINC000045390035	221963194	/nfs/dbraw/zinc/96/31/94/221963194.db2.gz	XOUHCSDCASEPBI-UHFFFAOYSA-N	-1	0	376.257	2.724	1	0		GFAFRM
CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cc(C(=O)[O-])ccc2C3=O)CC1	ZINC000061921102	136156018	/nfs/dbraw/zinc/15/60/18/136156018.db2.gz	JYXAMUXPSIOXKM-UHFFFAOYSA-N	-1	0	385.441	2.998	3	0		GFAFRM
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000028457559	581094441	/nfs/dbraw/zinc/09/44/41/581094441.db2.gz	GKXUJXTYCGQFPD-LBPRGKRZSA-N	-1	0	385.416	2.939	1	0		GFAFRM
CN1C([O-])=C(C(=O)Nc2nccs2)c2cc3ccccc3cc2S1(=O)=O	ZINC000013605555	221277462	/nfs/dbraw/zinc/27/74/62/221277462.db2.gz	BPPRQNYVKTZXQH-UHFFFAOYSA-N	-1	0	387.442	2.796	1	0		GFAFRM
CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccc3ccccc3c2S1(=O)=O	ZINC000028015274	221667005	/nfs/dbraw/zinc/66/70/05/221667005.db2.gz	LBTLWAUCZKENCZ-UHFFFAOYSA-N	-1	0	381.413	2.734	1	0		GFAFRM
COc1cc(/C=C(/C(=O)[O-])c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)=O	ZINC000066077189	222136486	/nfs/dbraw/zinc/13/64/86/222136486.db2.gz	IIYQZBDGYQCBTR-MHWRWJLKSA-N	-1	0	390.413	2.649	1	0		GFAFRM
CCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)[n-]1	ZINC000095601141	222358391	/nfs/dbraw/zinc/35/83/91/222358391.db2.gz	PPIGJGJEMYVMQS-UHFFFAOYSA-N	-1	0	390.486	2.941	1	0		GFAFRM
COc1ccc(-n2cnc3c2ncnc3N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000005854259	220902760	/nfs/dbraw/zinc/90/27/60/220902760.db2.gz	MYLIUJIJXACQLQ-KRWDZBQOSA-N	-1	0	389.415	2.932	1	0		GFAFRM
COc1ccc2c(c1)C([O-])=C(C(=O)Nc1ccc(Cl)cc1)N(C)S2(=O)=O	ZINC000040527678	221924365	/nfs/dbraw/zinc/92/43/65/221924365.db2.gz	NOBFYWKKEUNYSB-UHFFFAOYSA-N	-1	0	394.836	2.848	1	0		GFAFRM
Cc1c(C[C@@H](C)C(=O)Nc2ccccc2C(=O)[O-])cnn1-c1ccc(O)cn1	ZINC000049037529	221995134	/nfs/dbraw/zinc/99/51/34/221995134.db2.gz	XNVDEFZPGYQNLQ-GFCCVEGCSA-N	-1	0	380.404	2.797	1	0		GFAFRM
CCn1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c(=O)c2ccc(C(F)(F)F)cc21	ZINC000103185497	222490612	/nfs/dbraw/zinc/49/06/12/222490612.db2.gz	FVTZCBYAEJGBBM-ZDUSSCGKSA-N	-1	0	382.338	2.729	1	0		GFAFRM
O=C([O-])[C@@H]1Cc2cccc(n2)NC/C=C\COc2ccc(Cl)c(c2)C(=O)N1	ZINC000169313413	222533449	/nfs/dbraw/zinc/53/34/49/222533449.db2.gz	NNZXXIHLUGBLFO-AIMAZDRCSA-N	-1	0	387.823	2.521	1	0		GFAFRM
C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164350	574414515	/nfs/dbraw/zinc/41/45/15/574414515.db2.gz	BBSJMECOWBMUCF-XPCRKILGSA-N	-1	0	380.525	2.669	1	0	endogenous,in-man	GFAFRM
Nc1nc(-c2ccc(Cl)c(Cl)c2)c(I)c(=O)[n-]1	ZINC000003653771	220663023	/nfs/dbraw/zinc/66/30/23/220663023.db2.gz	WHIPVDKQSLVZDI-UHFFFAOYSA-N	-1	0	381.988	2.931	1	0		GFAFRM
C[C@H](N[C@@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O)c1ccccc1	ZINC000013440520	221267891	/nfs/dbraw/zinc/26/78/91/221267891.db2.gz	FBOPVIWMYMFESR-DYZYQPBXSA-N	-1	0	375.321	2.568	1	0		GFAFRM
COc1cc(/C=C(\C)[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000013823384	221291067	/nfs/dbraw/zinc/29/10/67/221291067.db2.gz	DTTGVLOBAUUKMP-PKNBQFBNSA-N	-1	0	393.373	2.799	1	0		GFAFRM
O=C([O-])c1cc(C(=O)O/C=C/c2cc3c(O)ccc(O)c3cc2O)c(O)cc1O	ZINC000033831290	291123360	/nfs/dbraw/zinc/12/33/60/291123360.db2.gz	GVOVUUGMYUOPJR-ONEGZZNKSA-N	-1	0	398.323	2.894	1	0	biogenic,in-vitro	GFAFRM
COc1cccc2sc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)nc21	ZINC000013860742	221292438	/nfs/dbraw/zinc/29/24/38/221292438.db2.gz	PYBRUIGJEUJNOB-UHFFFAOYSA-N	-1	0	381.413	2.690	1	0		GFAFRM
Nc1ncnc2c1CN(c1ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc1)C(=O)CO2	ZINC000101693285	222475932	/nfs/dbraw/zinc/47/59/32/222475932.db2.gz	HOOHPNKJMSXQJN-OKILXGFUSA-N	-1	0	396.447	2.733	1	0		GFAFRM
CC(=O)OC[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12	ZINC000070455267	291118752	/nfs/dbraw/zinc/11/87/52/291118752.db2.gz	XAWLPRCYLCCVFP-BCBLRFMSSA-N	-1	0	394.508	2.751	1	0	biogenic,in-vitro	GFAFRM
COC[C@]1(O)C(C(=O)[O-])=C2C[C@H]3CC[C@H]4CCC[C@@]15c1cc[nH]c1C[C@]3(C)[C@]245	ZINC000085548930	291120999	/nfs/dbraw/zinc/12/09/99/291120999.db2.gz	LAZXNEXQFGSNGO-LYWCGDPRSA-N	-1	0	382.480	2.973	1	0	biogenic,in-vitro	GFAFRM
CN1C(=O)N[C@@H](c2cccnc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000004140268	204029274	/nfs/dbraw/zinc/02/92/74/204029274.db2.gz	FOMXGRXQNHKVHM-XUJVJEKNSA-N	-1	0	385.367	2.589	1	0		GFAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccnc1	ZINC000013589869	204496697	/nfs/dbraw/zinc/49/66/97/204496697.db2.gz	QAEIFEZJZWOQHB-IBGZPJMESA-N	-1	0	389.411	2.760	1	0		GFAFRM
COc1cc2nc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)sc2cc1F	ZINC000013860768	204516730	/nfs/dbraw/zinc/51/67/30/204516730.db2.gz	DXDAXZBKTKHYLX-UHFFFAOYSA-N	-1	0	399.403	2.829	1	0		GFAFRM
O=C([O-])Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc(F)cc1)C2	ZINC000103238013	205644166	/nfs/dbraw/zinc/64/41/66/205644166.db2.gz	YUGLRLSRVTUOPC-UHFFFAOYSA-N	-1	0	379.391	2.972	1	0		GFAFRM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2F)CC1	ZINC000002461781	203946116	/nfs/dbraw/zinc/94/61/16/203946116.db2.gz	IYIJMWAVOIEUBB-UHFFFAOYSA-N	-1	0	381.407	2.897	1	0		GFAFRM
COc1cc([C@@H](c2ccccc2)N2C(=O)CC[C@H]2C(=O)[O-])cc(OC)c1OC	ZINC000006005671	204161164	/nfs/dbraw/zinc/16/11/64/204161164.db2.gz	XJWFXGJFQNKXHY-HNAYVOBHSA-N	-1	0	385.416	2.877	1	0		GFAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)[O-]	ZINC000013836415	204515980	/nfs/dbraw/zinc/51/59/80/204515980.db2.gz	TYOKLUCZRWRWLV-BRDXMMLSSA-N	-1	0	390.567	2.601	1	0		GFAFRM
O=C([O-])C=Cc1nc(=O)c2c3n(c(C(=O)Nc4ccc(Cl)cc4)c2[nH]1)CCC3	ZINC000045318056	205094294	/nfs/dbraw/zinc/09/42/94/205094294.db2.gz	LYEHADSVWDVSBP-FPLPWBNLSA-N	-1	0	398.806	2.674	1	0		GFAFRM
Nc1ccc(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4c3CCC[C@@H]4O)cc2)cn1	ZINC000049115665	205127373	/nfs/dbraw/zinc/12/73/73/205127373.db2.gz	IUBBNLSAUVQIOG-SFHVURJKSA-N	-1	0	391.427	2.609	1	0		GFAFRM
O=C([O-])[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1	ZINC000084669824	205397555	/nfs/dbraw/zinc/39/75/55/205397555.db2.gz	XQEZXMGUDOPHOF-QMMMGPOBSA-N	-1	0	392.209	2.751	1	0		GFAFRM
CCCn1c2cc(-c3ccc(O[C@H](C)C(=O)[O-])cc3)[nH]c2c(=O)n(CCC)c1=O	ZINC000013678966	204503466	/nfs/dbraw/zinc/50/34/66/204503466.db2.gz	PMNVTYJKRYGRPH-CYBMUJFWSA-N	-1	0	399.447	2.830	1	0		GFAFRM
O=C(Nc1ccc2ccccc2c1)[C@@H](n1nnc2ccccc21)[P@](=O)([O-])O	ZINC000040576869	205067384	/nfs/dbraw/zinc/06/73/84/205067384.db2.gz	RXQJDCASVKNUIG-SFHVURJKSA-N	-1	0	382.316	2.900	1	0		GFAFRM
Cn1c(N)nc2c1cccc2Oc1ccc2c(c1)CCCN(CCC(=O)[O-])C2=O	ZINC000040872947	205074046	/nfs/dbraw/zinc/07/40/46/205074046.db2.gz	AGJHDEIJXGZDRQ-UHFFFAOYSA-N	-1	0	394.431	2.811	1	0		GFAFRM
COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccn(C(F)F)c(=O)c1	ZINC000064539921	222071906	/nfs/dbraw/zinc/07/19/06/222071906.db2.gz	XKMLYOGTLFCDCD-UHFFFAOYSA-N	-1	0	390.342	2.831	1	0		GFAFRM
COC(=O)[C@@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)[O-]	ZINC000027105014	581099639	/nfs/dbraw/zinc/09/96/39/581099639.db2.gz	PUTUUAYFZXHMSI-IBGZPJMESA-N	-1	0	399.443	2.919	1	0		GFAFRM
CCCC(CCC)Cc1cc(C(=O)[O-])ccc1N1C(=O)CCC1(CO)CO	ZINC000084654129	205396775	/nfs/dbraw/zinc/39/67/75/205396775.db2.gz	JUNSSTMPEDFKOL-UHFFFAOYSA-N	-1	0	377.481	2.994	1	0		GFAFRM
Cc1ccc(S(=O)(=O)N[C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)[O-])cc1	ZINC000028230565	204869594	/nfs/dbraw/zinc/86/95/94/204869594.db2.gz	MCNNGAYZMDJZMX-FMGVOEILSA-N	-1	0	379.478	2.822	1	0		GFAFRM
O=C([O-])[C@H](NC(=O)c1ccccc1)c1ccc(O)c(I)c1	ZINC000040584763	205066818	/nfs/dbraw/zinc/06/68/18/205066818.db2.gz	ZCOKDAVPWYFQAD-CYBMUJFWSA-N	-1	0	397.168	2.553	1	0		GFAFRM
CCOC(=O)c1c2ccccc2sc1NC(=O)C[C@@H]1SC(=O)[N-]C1=O	ZINC000045261220	205094719	/nfs/dbraw/zinc/09/47/19/205094719.db2.gz	OUWJBKAUOWOZND-JTQLQIEISA-N	-1	0	378.431	2.758	1	0		GFAFRM
CN1C([O-])=C(C(=O)Nc2ccc(F)cc2F)c2cc(F)ccc2S1(=O)=O	ZINC000013605540	204499035	/nfs/dbraw/zinc/49/90/35/204499035.db2.gz	FOAXLQOQJDHSQH-UHFFFAOYSA-N	-1	0	384.335	2.603	1	0		GFAFRM
CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21	ZINC000015781461	204577761	/nfs/dbraw/zinc/57/77/61/204577761.db2.gz	OLYQHGIQYQKEEW-UHFFFAOYSA-N	-1	0	398.481	2.729	1	0		GFAFRM
COc1nc(Br)cnc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000038388584	205035626	/nfs/dbraw/zinc/03/56/26/205035626.db2.gz	TZYSLHTWOJFPSJ-UHFFFAOYSA-N	-1	0	384.664	2.763	1	0		GFAFRM
O=C([O-])c1cn(Cc2ccc(-c3cccnc3)nn2)c2c(F)cccc2c1=O	ZINC000045367885	205095168	/nfs/dbraw/zinc/09/51/68/205095168.db2.gz	RPLHCHCFCPUUHQ-UHFFFAOYSA-N	-1	0	376.347	2.739	1	0		GFAFRM
C/C=C/c1ccc(-c2cccc(CO[C@@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@H](O)C3)c2)cc1	ZINC000101042406	205615322	/nfs/dbraw/zinc/61/53/22/205615322.db2.gz	GYDUJLBJHHFYQC-TZUFBAHGSA-N	-1	0	398.455	2.603	1	0		GFAFRM
O=C([O-])Cc1nn(Cc2nc3c(s2)c(F)ccc3F)c(=O)c2ccccc12	ZINC000013860772	207003107	/nfs/dbraw/zinc/00/31/07/207003107.db2.gz	YAYWWCMKONHXDP-UHFFFAOYSA-N	-1	0	387.367	2.960	1	0		GFAFRM
COc1ccccc1N1CCN(c2ccc3c(c2)n(C)cc(C(=O)[O-])c3=O)CC1	ZINC000028457596	207342907	/nfs/dbraw/zinc/34/29/07/207342907.db2.gz	CLBGWXFDJITOAE-UHFFFAOYSA-N	-1	0	393.443	2.572	1	0		GFAFRM
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3cc(F)ccc3F)[n-]c12	ZINC000095591908	208237551	/nfs/dbraw/zinc/23/75/51/208237551.db2.gz	UFNYCKYTDJNKRU-UHFFFAOYSA-N	-1	0	393.371	2.842	1	0		GFAFRM
C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000103298526	136191135	/nfs/dbraw/zinc/19/11/35/136191135.db2.gz	MSLRNZRJNPZAOJ-ZETCQYMHSA-N	-1	0	386.838	2.636	1	0		GFAFRM
COc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)[O-])c(C)c3c2)cc1	ZINC000003045432	206454542	/nfs/dbraw/zinc/45/45/42/206454542.db2.gz	ZLMYCOWUANVKID-UHFFFAOYSA-N	-1	0	375.402	2.927	3	0		GFAFRM
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12	ZINC000013860774	207002252	/nfs/dbraw/zinc/00/22/52/207002252.db2.gz	KNWXUWPPDTZSFW-UHFFFAOYSA-N	-1	0	387.367	2.960	1	0		GFAFRM
CN1CCN(c2cc3c(c(=O)c(C(=O)[O-])cn3C3CC3)c(Cl)c2F)CC1	ZINC000026946649	207321520	/nfs/dbraw/zinc/32/15/20/207321520.db2.gz	FTWQUUSTDCEDCA-UHFFFAOYSA-N	-1	0	379.819	2.579	1	0		GFAFRM
CO[C@@H]1[C@@H]2O[C@H](O)[C@H]1[C@H](OC)C[C@@H]1C3=C(C(C)C)CC[C@]3(C(=O)[O-])CC[C@@]21C	ZINC000040896125	206263891	/nfs/dbraw/zinc/26/38/91/206263891.db2.gz	SJRSXOFCFKORFT-GUVFJYCFSA-N	-1	0	394.508	2.987	1	0		GFAFRM
O=C([O-])[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)[C@@H]13	ZINC000002091455	206398360	/nfs/dbraw/zinc/39/83/60/206398360.db2.gz	FFCSIQDHUAMNEF-DUXQTRJFSA-N	-1	0	375.424	2.665	1	0		GFAFRM
COc1ccc(Oc2ccc(S(=O)(=O)Cc3cccn([O-])c3=O)cc2)cc1	ZINC000029130142	207355313	/nfs/dbraw/zinc/35/53/13/207355313.db2.gz	WKRVNRRBAKSSCD-UHFFFAOYSA-N	-1	0	387.413	2.860	1	0		GFAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccncc1	ZINC000013589870	206983255	/nfs/dbraw/zinc/98/32/55/206983255.db2.gz	KQUHMQKFGHCLNU-LJQANCHMSA-N	-1	0	389.411	2.760	1	0		GFAFRM
COc1cc(C2=NN(C(N)=O)[C@H](c3ccc(F)cc3)C2)ccc1OCC(=O)[O-]	ZINC000028713542	207346597	/nfs/dbraw/zinc/34/65/97/207346597.db2.gz	FBMDLEKWERJXAX-HNNXBMFYSA-N	-1	0	387.367	2.528	1	0		GFAFRM
COc1c(N2C[C@@H](C)O[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000029123141	207355462	/nfs/dbraw/zinc/35/54/62/207355462.db2.gz	LAKKYQZZALPWFA-GHMZBOCLSA-N	-1	0	390.411	2.796	1	0		GFAFRM
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccc(F)cc3)[n-]c12	ZINC000095587428	208236195	/nfs/dbraw/zinc/23/61/95/208236195.db2.gz	IUUCVBYYDKECBK-UHFFFAOYSA-N	-1	0	375.381	2.703	1	0		GFAFRM
Cc1ccc(N2CCc3c([N-]S(=O)(=O)c4ccccc4)[nH]nc3C2=O)cc1	ZINC000096916179	136187750	/nfs/dbraw/zinc/18/77/50/136187750.db2.gz	MZTBHIKNZRLUGD-UHFFFAOYSA-N	-1	0	382.445	2.722	1	0		GFAFRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872247	222361369	/nfs/dbraw/zinc/36/13/69/222361369.db2.gz	LRPSJAPNXHWPGP-QGTPRVQTSA-N	-1	0	398.459	2.555	1	0		GFAFRM
Nc1nc2c(ncn2CCC[C@H](c2ccccc2)[P@@](=O)([O-])O)c(Cl)n1	ZINC000001633700	206386560	/nfs/dbraw/zinc/38/65/60/206386560.db2.gz	WPPBSFQOQFLEDC-LLVKDONJSA-N	-1	0	381.760	2.761	1	0		GFAFRM
CN([N-]S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028761615	207347945	/nfs/dbraw/zinc/34/79/45/207347945.db2.gz	BHYOAYXKGFPPQE-UHFFFAOYSA-N	-1	0	395.289	2.507	1	0		GFAFRM
O=C([O-])/C=C1\CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc21	ZINC000082157035	208083186	/nfs/dbraw/zinc/08/31/86/208083186.db2.gz	RFMGKJNJIRXRAF-UXBLZVDNSA-N	-1	0	383.347	2.776	1	0		GFAFRM
NC(=O)C(=O)c1c2c(cccc2OCC(=O)[O-])n(Cc2ccccc2)c1C1CC1	ZINC000001543785	206386163	/nfs/dbraw/zinc/38/61/63/206386163.db2.gz	UWZIPJAIHVSDQU-UHFFFAOYSA-N	-1	0	392.411	2.698	1	0		GFAFRM
CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000005713337	206626843	/nfs/dbraw/zinc/62/68/43/206626843.db2.gz	QVCSRZCETZPGOY-QGZVFWFLSA-N	-1	0	384.432	2.504	1	0		GFAFRM
CN1C(C(=O)Nc2ccccn2)=C([O-])c2c3ccccc3ccc2S1(=O)=O	ZINC000028114714	207334350	/nfs/dbraw/zinc/33/43/50/207334350.db2.gz	YJMOVDAXCPAEFJ-UHFFFAOYSA-N	-1	0	381.413	2.734	1	0		GFAFRM
O=C([O-])CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)COc1ccccc1	ZINC000028766714	207348385	/nfs/dbraw/zinc/34/83/85/207348385.db2.gz	LYXKJZCRLQWIIN-WNAWPJITSA-N	-1	0	388.460	2.750	1	0		GFAFRM
COc1ccccc1NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[n-]1	ZINC000095592342	208237656	/nfs/dbraw/zinc/23/76/56/208237656.db2.gz	NQNSYCGPSPLEDD-UHFFFAOYSA-N	-1	0	387.417	2.573	1	0		GFAFRM
CC[C@@]1(N2C(=O)c3ccccc3C2=O)C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000021986446	207245536	/nfs/dbraw/zinc/24/55/36/207245536.db2.gz	MLZNVUPGZYJLKW-HXUWFJFHSA-N	-1	0	377.356	2.555	1	0		GFAFRM
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(Cl)cc1	ZINC000027310328	207323781	/nfs/dbraw/zinc/32/37/81/207323781.db2.gz	MGSQIJKBYOYTMF-ZIAGYGMSSA-N	-1	0	383.853	2.637	1	0		GFAFRM
NC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)[O-])OCO3	ZINC000028112643	207334895	/nfs/dbraw/zinc/33/48/95/207334895.db2.gz	AYHGFXWUBFXKDW-UHFFFAOYSA-N	-1	0	379.324	2.761	1	0		GFAFRM
NC(=O)c1c([O-])c2ccc(-c3ccncc3)cc2n(-c2ccc(F)cc2)c1=O	ZINC000100018925	208370471	/nfs/dbraw/zinc/37/04/71/208370471.db2.gz	LFICNITXGWNZPY-UHFFFAOYSA-N	-1	0	375.359	2.996	1	0		GFAFRM
CC1=CC(=O)N(N=c2nc(-c3cccs3)c(C(=O)OC(C)(C)C)c[n-]2)C1=O	ZINC000013818230	207000478	/nfs/dbraw/zinc/00/04/78/207000478.db2.gz	ZRSLONPGMQLGIL-UHFFFAOYSA-N	-1	0	386.433	2.802	1	0		GFAFRM
O=C([O-])c1ccccc1NC(=O)N1CCN(c2cnc3ccccc3n2)CC1	ZINC000028969569	207352874	/nfs/dbraw/zinc/35/28/74/207352874.db2.gz	DNXFJEMWCGCAHD-UHFFFAOYSA-N	-1	0	377.404	2.682	1	0		GFAFRM
Cc1c(CC(=O)[O-])c2ccsc2n1Cc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000066078602	207879439	/nfs/dbraw/zinc/87/94/39/207879439.db2.gz	PBARSYIECLLZHT-UHFFFAOYSA-N	-1	0	392.502	2.937	1	0		GFAFRM
C[C@H](O)[C@@H]1CCc2c3c4c(c5c(c(O)c4C(=O)C=C3)[C@H](C)O[C@H](CC(=O)[O-])C5)n21	ZINC000013911943	560220921	/nfs/dbraw/zinc/22/09/21/560220921.db2.gz	AWMWNWIBOOYESP-RMIALFOJSA-N	-1	0	397.427	2.902	1	0	in-vitro	GFAFRM
COc1ccc2sc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)nc2c1	ZINC000013860748	210095826	/nfs/dbraw/zinc/09/58/26/210095826.db2.gz	DLZBAQHHNKCANC-UHFFFAOYSA-N	-1	0	381.413	2.690	1	0		GFAFRM
C[C@@H](N[C@@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O)c1ccccc1	ZINC000013440516	210061014	/nfs/dbraw/zinc/06/10/14/210061014.db2.gz	FBOPVIWMYMFESR-BMLIUANNSA-N	-1	0	375.321	2.568	1	0		GFAFRM
NC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(OCCCC(=O)[O-])cc12	ZINC000013445767	210060798	/nfs/dbraw/zinc/06/07/98/210060798.db2.gz	HUEIPAQYKIDZLT-UHFFFAOYSA-N	-1	0	380.400	2.601	1	0		GFAFRM
O=C1NC(=S)NC1=Cc1ccc2cc(-c3ccc4c(c3)COC4=O)ccc2n1	ZINC000101464050	211399879	/nfs/dbraw/zinc/39/98/79/211399879.db2.gz	OSQRGLXSBOLHDS-GIJQJNRQSA-N	-1	0	387.420	2.917	1	0		GFAFRM
O=C([O-])[C@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)Nc1ccccc1	ZINC000095555991	211276417	/nfs/dbraw/zinc/27/64/17/211276417.db2.gz	MTOPWASOGKNAQK-GOSISDBHSA-N	-1	0	376.416	2.975	1	0		GFAFRM
NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2)n2cccc(OCC(=O)[O-])c12	ZINC000013758489	210087681	/nfs/dbraw/zinc/08/76/81/210087681.db2.gz	BWMYYDHMMKJDLI-UHFFFAOYSA-N	-1	0	392.411	2.539	1	0		GFAFRM
O=C([O-])Cn1c(=O)c2ccccc2n1Cc1ccc(Br)cc1F	ZINC000013649917	210076761	/nfs/dbraw/zinc/07/67/61/210076761.db2.gz	MLIMISJQHAIRGX-UHFFFAOYSA-N	-1	0	379.185	2.838	1	0		GFAFRM
COc1cc(-c2oc3cc([O-])c(OC)c(O)c3c(=O)c2OC)cc(OC)c1O	ZINC000015271631	291121475	/nfs/dbraw/zinc/12/14/75/291121475.db2.gz	PIAAUDYNDVKPCW-UHFFFAOYSA-N	-1	0	390.344	2.611	1	0	biogenic,in-vitro	GFAFRM
COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(=O)[O-])nn21	ZINC000096933198	211351835	/nfs/dbraw/zinc/35/18/35/211351835.db2.gz	GZXOWOHQIVJXEJ-UHFFFAOYSA-N	-1	0	381.175	2.995	1	0		GFAFRM
CC(C)C[C@@H]1C(=O)N(NC(=O)c2ccccc2C(=O)[O-])CN1Cc1ccccc1	ZINC000064574073	210942361	/nfs/dbraw/zinc/94/23/61/210942361.db2.gz	ZNUWGPJJJRJHBT-LJQANCHMSA-N	-1	0	395.459	2.746	1	0		GFAFRM
O=C([O-])CCCCCC[C@@H]1[C@@H](CC[C@@H](O)COc2ccccc2)[C@H](O)C[C@@H]1O	ZINC000013805713	210091878	/nfs/dbraw/zinc/09/18/78/210091878.db2.gz	CCIGYTQGGWYUNA-LELZANKISA-N	-1	0	394.508	2.990	1	0		GFAFRM
Cc1cnc(NC(=O)C2=C([O-])N(C)S(=O)(=O)c3cc(Cl)ccc32)s1	ZINC000013605532	210072859	/nfs/dbraw/zinc/07/28/59/210072859.db2.gz	UKUOGXMKJVVTLP-UHFFFAOYSA-N	-1	0	385.854	2.604	1	0		GFAFRM
COc1ccc(CCc2ccc(C(=O)[O-])cc2)cc1Cc1cnc(N)nc1N	ZINC000013559771	581096216	/nfs/dbraw/zinc/09/62/16/581096216.db2.gz	LUBRVLUNYNBWGR-UHFFFAOYSA-N	-1	0	378.432	2.724	1	0		GFAFRM
COc1ccc(-c2oc3c(OC)c([O-])c(OC)c(O)c3c(=O)c2OC)cc1O	ZINC000015271767	209192127	/nfs/dbraw/zinc/19/21/27/209192127.db2.gz	HUCUBQBJTIMKKN-UHFFFAOYSA-N	-1	0	390.344	2.611	1	0		GFAFRM
O=C([O-])Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CC3)cc1	ZINC000096927471	211352574	/nfs/dbraw/zinc/35/25/74/211352574.db2.gz	WWLNSUCLBXSBOL-UHFFFAOYSA-N	-1	0	395.440	2.844	1	0		GFAFRM
C[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(=O)[O-])[C@]1([NH3+])C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000013582216	210071408	/nfs/dbraw/zinc/07/14/08/210071408.db2.gz	GDRGKWCVUFTHBE-KXRFAQBZSA-N	-1	0	392.210	2.664	1	0		GFAFRM
O=C([O-])[C@H](Cc1c[nH]c2ncccc12)NC(=O)c1ccccc1Br	ZINC000013488276	210063423	/nfs/dbraw/zinc/06/34/23/210063423.db2.gz	NROJPSFXOQCCEX-AWEZNQCLSA-N	-1	0	388.221	2.751	1	0		GFAFRM
Cn1cc(C2=C(c3cn(C)c4ccc(C(=O)[O-])cc34)C(=O)NC2=O)c2ccccc21	ZINC000013447765	210061944	/nfs/dbraw/zinc/06/19/44/210061944.db2.gz	YRACVNWIANQLSI-UHFFFAOYSA-N	-1	0	399.406	2.935	1	0		GFAFRM
O=C([O-])[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1	ZINC000013446592	210060999	/nfs/dbraw/zinc/06/09/99/210060999.db2.gz	PMKVUAMGQRYBBI-LJQANCHMSA-N	-1	0	376.416	2.975	1	0		GFAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccnc1	ZINC000013589868	210070527	/nfs/dbraw/zinc/07/05/27/210070527.db2.gz	QAEIFEZJZWOQHB-LJQANCHMSA-N	-1	0	389.411	2.760	1	0		GFAFRM
COC[C@]1(O)C(C(=O)[O-])=C2C[C@H]3CC[C@H]4CC=C[C@@]15c1cc[nH]c1C[C@]3(C)[C@]245	ZINC000085548927	291121003	/nfs/dbraw/zinc/12/10/03/291121003.db2.gz	UZSRXWVPWMUGMM-LYWCGDPRSA-N	-1	0	380.464	2.749	1	0	biogenic,in-vitro	GFAFRM
O=C([O-])[C@@](Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1	ZINC000000587797	209249589	/nfs/dbraw/zinc/24/95/89/209249589.db2.gz	AMLVSFPQUDZDGA-JOCHJYFZSA-N	-1	0	376.412	2.826	1	0		GFAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(c4ccccn4)CC3)ccc2c1=O	ZINC000064528380	136156917	/nfs/dbraw/zinc/15/69/17/136156917.db2.gz	MBTIAATXMJKWFA-UHFFFAOYSA-N	-1	0	390.443	2.756	1	0		GFAFRM
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O	ZINC000013520000	560218431	/nfs/dbraw/zinc/21/84/31/560218431.db2.gz	ALBNSVAJDFJRKQ-DNKQKWOHSA-N	-1	0	384.494	2.677	1	0	in-vitro	GFAFRM
O=C([O-])Cc1nn(Cc2nc3cc(F)c(F)cc3s2)c(=O)c2ccccc12	ZINC000013860765	210095831	/nfs/dbraw/zinc/09/58/31/210095831.db2.gz	OWLOTXFJBAQAHN-UHFFFAOYSA-N	-1	0	387.367	2.960	1	0		GFAFRM
CC(=O)c1c(-c2ccccc2)nn(CC(=O)[O-])c(=O)c1NCc1ccccc1	ZINC000013797661	210091629	/nfs/dbraw/zinc/09/16/29/210091629.db2.gz	GRFGQRAHQRGNER-UHFFFAOYSA-N	-1	0	377.400	2.810	1	0		GFAFRM
COc1ccc(CN2C(=O)c3cccc4cc(S(=O)(=O)[O-])cc(c43)C2=O)cc1	ZINC000103254257	211425821	/nfs/dbraw/zinc/42/58/21/211425821.db2.gz	FEQUZAZOGBXZPL-UHFFFAOYSA-N	-1	0	397.408	2.891	1	0		GFAFRM
C=CC(=O)NCCCC[C@H](NC(=O)OCc1cccc2ccccc21)C(=O)[O-]	ZINC000095562182	211276938	/nfs/dbraw/zinc/27/69/38/211276938.db2.gz	GTKDWJXRABFIEX-SFHVURJKSA-N	-1	0	384.432	2.992	1	0		GFAFRM
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](C)C(=O)[O-])c1	ZINC000028457562	581094415	/nfs/dbraw/zinc/09/44/15/581094415.db2.gz	GKXUJXTYCGQFPD-GFCCVEGCSA-N	-1	0	385.416	2.939	1	0		GFAFRM
C[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(=O)[O-])[C@]1([NH3+])C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000013582218	210070748	/nfs/dbraw/zinc/07/07/48/210070748.db2.gz	GDRGKWCVUFTHBE-OSVHJGBVSA-N	-1	0	392.210	2.664	1	0		GFAFRM
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3)ns2)c(=O)c2ccccc12	ZINC000013449053	210061347	/nfs/dbraw/zinc/06/13/47/210061347.db2.gz	ZJQVHTCAULPBHW-UHFFFAOYSA-N	-1	0	378.413	2.590	1	0		GFAFRM
COc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]cc(C(=O)[O-])c3c2)cc1	ZINC000095575004	211278009	/nfs/dbraw/zinc/27/80/09/211278009.db2.gz	MWHSHOWDAYSRJI-UHFFFAOYSA-N	-1	0	382.376	2.635	1	0		GFAFRM
Nc1ncc(-c2cncc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cn1	ZINC000073195678	211125809	/nfs/dbraw/zinc/12/58/09/211125809.db2.gz	ZGSHDYCRILIDKN-UHFFFAOYSA-N	-1	0	395.366	2.940	1	0		GFAFRM
O=C([O-])Cn1cc([C@@H]2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc21	ZINC000049036793	210860180	/nfs/dbraw/zinc/86/01/80/210860180.db2.gz	LBQZVZRQCGSEKP-QGZVFWFLSA-N	-1	0	376.821	2.761	1	0		GFAFRM
Cc1ccc(S(=O)(=O)n2c(=O)cc([O-])n(-c3ccc(Cl)cc3)c2=O)cc1	ZINC000102076231	136189842	/nfs/dbraw/zinc/18/98/42/136189842.db2.gz	KQFULCPXYMTDBF-UHFFFAOYSA-N	-1	0	392.820	2.723	1	0		GFAFRM
COc1ccc2c(c1)sc1nc(/C=C3/C(=O)N4C(C(=O)[O-])=CS[C@H]34)cn12	ZINC000013586482	221275246	/nfs/dbraw/zinc/27/52/46/221275246.db2.gz	FINRLGAWOGFDKT-OZVSCIAHSA-N	-1	0	385.426	2.782	1	0		GFAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccn1	ZINC000013589867	221275861	/nfs/dbraw/zinc/27/58/61/221275861.db2.gz	DCKXFOOXJHHURJ-IBGZPJMESA-N	-1	0	389.411	2.760	1	0		GFAFRM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(OC)c1	ZINC000008598183	221045291	/nfs/dbraw/zinc/04/52/91/221045291.db2.gz	QKCFEPXKPUGWHF-UHFFFAOYSA-N	-1	0	394.474	2.939	1	0		GFAFRM
Cc1ccc(S(=O)(=O)[N-]N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000026274027	221638963	/nfs/dbraw/zinc/63/89/63/221638963.db2.gz	OLAWHUUQLADGRD-UHFFFAOYSA-N	-1	0	390.486	2.662	1	0		GFAFRM
CN1C(C(=O)Nc2nccs2)=C([O-])c2c3ccccc3ccc2S1(=O)=O	ZINC000028094442	221666114	/nfs/dbraw/zinc/66/61/14/221666114.db2.gz	GUBZEZQETZYHIO-UHFFFAOYSA-N	-1	0	387.442	2.796	1	0		GFAFRM
COc1ccc(-c2ccn(C[C@H](O)C(=O)[O-])c2-c2ccc(C(N)=O)cc2C)cc1	ZINC000071280853	222178900	/nfs/dbraw/zinc/17/89/00/222178900.db2.gz	OBIDNHVGRAURCJ-IBGZPJMESA-N	-1	0	394.427	2.684	1	0		GFAFRM
CCCC[C@H](O)[C@H](O)/C=C/C=C(/CCCCCCCC(=O)[O-])C[C@H](O)CO	ZINC000085490924	291120042	/nfs/dbraw/zinc/12/00/42/291120042.db2.gz	VNDAARHBSHHHLS-HFDDFEBKSA-N	-1	0	386.529	2.940	1	0	biogenic,in-vitro	GFAFRM
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2c1CCCC2	ZINC000003783044	220664748	/nfs/dbraw/zinc/66/47/48/220664748.db2.gz	QJZIGPVOTXIJRK-UHFFFAOYSA-N	-1	0	391.399	2.685	1	0		GFAFRM
O=C([O-])[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)NCc1ccccc1	ZINC000013446601	221269045	/nfs/dbraw/zinc/26/90/45/221269045.db2.gz	KJJFMBTWERBWCG-FQEVSTJZSA-N	-1	0	390.443	2.653	1	0		GFAFRM
CCOc1cccc2cc(S(=O)(=O)[N-]c3ccc(F)c(N)c3)c(=O)oc21	ZINC000028362037	221676443	/nfs/dbraw/zinc/67/64/43/221676443.db2.gz	XQKNYSYYIGQBKD-UHFFFAOYSA-N	-1	0	378.381	2.714	1	0		GFAFRM
Cc1cc(C)c(S(=O)(=O)[N-]c2nc(NCCO)nc3ccccc32)c(C)c1	ZINC000095872234	222361062	/nfs/dbraw/zinc/36/10/62/222361062.db2.gz	KZVJBMKZVGBTEA-UHFFFAOYSA-N	-1	0	386.477	2.760	1	0		GFAFRM
CN1C([O-])=C(C(=O)Nc2nccs2)c2c3ccccc3ccc2S1(=O)=O	ZINC000013605558	221277121	/nfs/dbraw/zinc/27/71/21/221277121.db2.gz	ZJVNDVDXFSUKRB-UHFFFAOYSA-N	-1	0	387.442	2.796	1	0		GFAFRM
O=C([O-])[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)/C=C/c1ccccc1	ZINC000013446718	221269226	/nfs/dbraw/zinc/26/92/26/221269226.db2.gz	UVMYFKQUJSEVSG-SGWGQVFISA-N	-1	0	387.439	2.983	1	0		GFAFRM
O=C([O-])c1cc(CCn2cnc3c2NC=NC[C@H]3O)cc(-c2ccccc2)c1	ZINC000013807594	221290252	/nfs/dbraw/zinc/29/02/52/221290252.db2.gz	JXLHDKZZPKZBDM-GOSISDBHSA-N	-1	0	376.416	2.978	1	0		GFAFRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC=C1N=C(c2ccccc2)OC1=O	ZINC000034172434	221798744	/nfs/dbraw/zinc/79/87/44/221798744.db2.gz	ZYOIGLDLVVSCCT-YPOUMIDOSA-N	-1	0	375.384	2.598	1	0		GFAFRM
Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc1)CCO2	ZINC000100067711	222456148	/nfs/dbraw/zinc/45/61/48/222456148.db2.gz	GEVVQZHMFVFGLN-OKILXGFUSA-N	-1	0	396.447	2.847	1	0		GFAFRM
CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@@H]1C(=O)[O-])c1ccccc1	ZINC000013446595	221269263	/nfs/dbraw/zinc/26/92/63/221269263.db2.gz	HGJKEJZBOHKPJH-HXUWFJFHSA-N	-1	0	390.443	2.999	1	0		GFAFRM
COc1c2c(ccc1[C@]1(O)COc3cc(O)cc(O)c3C1=O)OC(C)(C)C=C2	ZINC000014711793	221314473	/nfs/dbraw/zinc/31/44/73/221314473.db2.gz	SYJLLCMGTNPNAB-OAQYLSRUSA-N	-1	0	384.384	2.754	1	0		GFAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccc[nH]1	ZINC000013589862	221275664	/nfs/dbraw/zinc/27/56/64/221275664.db2.gz	CSHQPNGWOLZNDR-GOSISDBHSA-N	-1	0	377.400	2.693	1	0		GFAFRM
Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3nn[nH]n3)cc2)c1C	ZINC000013437986	221268181	/nfs/dbraw/zinc/26/81/81/221268181.db2.gz	GIPHHFOUPLKPNT-UHFFFAOYSA-N	-1	0	396.432	2.939	1	0		GFAFRM
CCc1c(CC2CCCCC2)n2cccc(OCC(=O)[O-])c2c1C(=O)C(N)=O	ZINC000013758456	221287907	/nfs/dbraw/zinc/28/79/07/221287907.db2.gz	WBGUMLHILZIOQS-UHFFFAOYSA-N	-1	0	386.448	2.756	1	0		GFAFRM
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2C(=O)[O-])c1	ZINC000013303284	221265489	/nfs/dbraw/zinc/26/54/89/221265489.db2.gz	SIJFCWBLZOYWFL-UHFFFAOYSA-N	-1	0	394.424	2.807	1	0		GFAFRM
O=C([O-])Cc1nn(Cc2nc3c(ccc(F)c3F)s2)c(=O)c2ccccc12	ZINC000013860762	221291942	/nfs/dbraw/zinc/29/19/42/221291942.db2.gz	FPZSNEKYGROILV-UHFFFAOYSA-N	-1	0	387.367	2.960	1	0		GFAFRM
C[S@@](=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@H]2C(=O)[O-]	ZINC000028224401	221669673	/nfs/dbraw/zinc/66/96/73/221669673.db2.gz	BLIQSPOMTUZSPX-BGJPBQGDSA-N	-1	0	396.262	2.791	1	0		GFAFRM
Cn1cc(C(=O)[O-])c(Nc2ccc(I)cc2F)cc1=O	ZINC000028821855	221683839	/nfs/dbraw/zinc/68/38/39/221683839.db2.gz	DSKCFNMBWKCOQW-UHFFFAOYSA-N	-1	0	388.136	2.571	1	0		GFAFRM
CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000040895252	221933234	/nfs/dbraw/zinc/93/32/34/221933234.db2.gz	UOLUFPJCRSHVKK-UHFFFAOYSA-N	-1	0	399.468	2.951	1	0		GFAFRM
CCCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)CC2CC2)cc1	ZINC000061896307	222062227	/nfs/dbraw/zinc/06/22/27/222062227.db2.gz	UUPPJOVKNMHFLL-HXUWFJFHSA-N	-1	0	392.521	2.625	3	0		GFAFRM
Cc1cc(C)nc(O[C@H](C(=O)[O-])C(CO)(c2ccccc2)c2ccccc2)n1	ZINC000072172011	222216881	/nfs/dbraw/zinc/21/68/81/222216881.db2.gz	LYHUKQHBVXTMBZ-LJQANCHMSA-N	-1	0	378.428	2.904	1	0		GFAFRM
O=C([O-])[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1	ZINC000084669825	222319783	/nfs/dbraw/zinc/31/97/83/222319783.db2.gz	XQEZXMGUDOPHOF-MRVPVSSYSA-N	-1	0	392.209	2.751	1	0		GFAFRM
Cc1[nH]nc(C(=O)Nc2nnn[n-]2)c1Cc1cccc(-c2ccc(F)cc2)c1	ZINC000095553391	222354425	/nfs/dbraw/zinc/35/44/25/222354425.db2.gz	FUYIFFDZNKCNQC-UHFFFAOYSA-N	-1	0	377.383	2.880	1	0		GFAFRM
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccc2ccccc2c1)C(=O)[O-]	ZINC000095562591	222355077	/nfs/dbraw/zinc/35/50/77/222355077.db2.gz	LJXMUWHMGUIHQQ-SFHVURJKSA-N	-1	0	384.432	2.992	1	0		GFAFRM
COC(=O)[C@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)[O-]	ZINC000027105016	581099626	/nfs/dbraw/zinc/09/96/26/581099626.db2.gz	PUTUUAYFZXHMSI-LJQANCHMSA-N	-1	0	399.443	2.919	1	0		GFAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccn1	ZINC000013589866	221275462	/nfs/dbraw/zinc/27/54/62/221275462.db2.gz	DCKXFOOXJHHURJ-LJQANCHMSA-N	-1	0	389.411	2.760	1	0		GFAFRM
O=C([O-])[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)/C=C/c1ccccc1	ZINC000013446669	221269419	/nfs/dbraw/zinc/26/94/19/221269419.db2.gz	OREDEVGIJKLWAO-RJRNSMGGSA-N	-1	0	387.439	2.983	1	0		GFAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)[O-]	ZINC000034175698	221798847	/nfs/dbraw/zinc/79/88/47/221798847.db2.gz	QJJULDSUCQXEDB-JHNDHUHGSA-N	-1	0	378.469	2.943	2	0		GFAFRM
C[C@@H]1C[C@H]2O[C@H](CO)C[C@H]2O[C@]12CC[C@@]1(CC=C[C@H](/C=C/CCC(=O)[O-])O1)O2	ZINC000040810762	221931753	/nfs/dbraw/zinc/93/17/53/221931753.db2.gz	NRPAJSHSQQDCGG-MQCYPVJESA-N	-1	0	394.464	2.530	1	0		GFAFRM
O=C([O-])c1ccccc1NC(=O)CCc1cc2n(n1)-c1ccc(O)cc1CC2	ZINC000071342025	222183820	/nfs/dbraw/zinc/18/38/20/222183820.db2.gz	PSBBUVPVZDYJHQ-UHFFFAOYSA-N	-1	0	377.400	2.946	1	0		GFAFRM
CC[NH+](CC)CC(C)(C)COC(=O)[C@H](COP(=O)([O-])[O-])c1ccccc1	ZINC000084759259	222321219	/nfs/dbraw/zinc/32/12/19/222321219.db2.gz	RECALSCYZBPOIH-MRXNPFEDSA-N	-1	0	387.413	2.791	1	0	in-man	GFAFRM
C[C@@H](O)[C@H]1CCc2c3c4c(c5c(c(O)c4C(=O)C=C3)[C@H](C)O[C@H](CC(=O)[O-])C5)n21	ZINC000013911944	560220934	/nfs/dbraw/zinc/22/09/34/560220934.db2.gz	AWMWNWIBOOYESP-YAMSLAJTSA-N	-1	0	397.427	2.902	1	0	in-vitro	GFAFRM