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-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1	ZINC000012428649	526394028	/nfs/dbraw/zinc/39/40/28/526394028.db2.gz	DORMNIVSDNEPEU-OOJWRZEZSA-N	-2	0	481.599	4.939	2	0		JJAFRL
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C(C(=O)[O-])N1Cc1ccccc1	ZINC000013553485	562973361	/nfs/dbraw/zinc/97/33/61/562973361.db2.gz	QTZRBAHJKMPGBS-HXUWFJFHSA-N	-2	0	469.921	4.588	1	0		JJAFRL
CSc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[n-]2)cc1	ZINC000013760695	562989480	/nfs/dbraw/zinc/98/94/80/562989480.db2.gz	FTPBGRHDZDFMJC-UHFFFAOYSA-N	-2	0	474.567	4.984	1	0		JJAFRL
C[C@H]([C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(C)C(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000013776794	562991038	/nfs/dbraw/zinc/99/10/38/562991038.db2.gz	MKPPODPKGOWVRL-CFLQYTFWSA-N	-2	0	466.361	4.732	1	0		JJAFRL
O=C([O-])[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000014976102	563010388	/nfs/dbraw/zinc/01/03/88/563010388.db2.gz	WPNOUKIMYJOLET-RPWUZVMVSA-N	-2	0	481.485	4.696	1	0		JJAFRL
O=c1oc2ccccc2c([O-])c1C(c1c[nH]c2ccccc21)c1c(=O)oc2ccccc2c1[O-]	ZINC000029058861	563093741	/nfs/dbraw/zinc/09/37/41/563093741.db2.gz	RVIGCZYAZLESQI-UHFFFAOYSA-N	-2	0	451.434	4.972	1	0		JJAFRL
O=C([O-])c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(CCc3ccccc3)c(=O)n2[n-]1	ZINC000034820323	563116591	/nfs/dbraw/zinc/11/65/91/563116591.db2.gz	MXXOKCDSPDNFCA-UHFFFAOYSA-N	-2	0	465.509	4.752	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040422960	563142065	/nfs/dbraw/zinc/14/20/65/563142065.db2.gz	RSJKGCWWIOKROE-INIZCTEOSA-N	-2	0	455.252	4.500	1	0		JJAFRL
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(C(F)(F)P(=O)([O-])[O-])cc1	ZINC000049020947	563197654	/nfs/dbraw/zinc/19/76/54/563197654.db2.gz	MYPUIEKDQLXUBZ-UHFFFAOYSA-N	-2	0	474.116	4.947	1	0		JJAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[N@H+](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013473658	562966372	/nfs/dbraw/zinc/96/63/72/562966372.db2.gz	OEMBPHBKZPOPBN-NWLVNBMCSA-N	-2	0	453.453	4.954	1	0	in-vivo	JJAFRL
CCCc1nc(C(O)(CC)CC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000013745637	562988037	/nfs/dbraw/zinc/98/80/37/562988037.db2.gz	ZJHURGUOKGOBSR-UHFFFAOYSA-N	-2	0	450.535	4.955	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccccc2Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746429	562988055	/nfs/dbraw/zinc/98/80/55/562988055.db2.gz	OWUNJYUFYHHJRN-JOCHJYFZSA-N	-2	0	478.459	4.986	1	0		JJAFRL
CC(C)=CCc1ccccc1Oc1cccc(CCC[C@H]([P@@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746427	562988070	/nfs/dbraw/zinc/98/80/70/562988070.db2.gz	RELHVFPZHHKBMY-OAQYLSRUSA-N	-2	0	454.481	4.702	1	0		JJAFRL
CC(C)CCc1ccccc1Oc1cccc(CCC[C@H]([P@@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746423	562988084	/nfs/dbraw/zinc/98/80/84/562988084.db2.gz	HEKHFQSMOGEBBN-OAQYLSRUSA-N	-2	0	456.497	4.782	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc(C(=C(C(=O)[O-])C(=O)[O-])c2ccccc2)cc1	ZINC000013756105	562988638	/nfs/dbraw/zinc/98/86/38/562988638.db2.gz	SHLABPLFISAJBE-UHFFFAOYSA-N	-2	0	455.514	4.630	1	0		JJAFRL
CC(C)[C@H](c1cccc([N-]S(=O)(=O)c2cccnc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2	ZINC000013761724	562990160	/nfs/dbraw/zinc/99/01/60/562990160.db2.gz	LBHDTSVRSHXIQX-HSZRJFAPSA-N	-2	0	482.602	4.988	1	0		JJAFRL
CCc1nc(-c2ccccc2)c(C)c(-c2ccc(F)cc2)c1CO[P@](=O)([O-])C[C@H](O)CC(=O)[O-]	ZINC000026665284	563032952	/nfs/dbraw/zinc/03/29/52/563032952.db2.gz	RNZNKCWEPVLUDC-HXUWFJFHSA-N	-2	0	487.464	4.963	1	0		JJAFRL
CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2C(=O)[O-])cc1	ZINC000029343573	563101198	/nfs/dbraw/zinc/10/11/98/563101198.db2.gz	ASNCDNSJHCPGED-QHCPKHFHSA-N	-2	0	459.502	4.643	1	0		JJAFRL
CC(C)CCC[C@H](CCC[C@H](C)CCC[C@H](C)COS(=O)(=O)[O-])COS(=O)(=O)[O-]	ZINC000040873489	563151703	/nfs/dbraw/zinc/15/17/03/563151703.db2.gz	WOCUWJQHAIJZGY-CEXWTWQISA-N	-2	0	460.655	4.681	1	0		JJAFRL
C/C(=C\CC[C@@](C)(O)CCCC1=CCN(CC(=O)[O-])C1=O)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-]	ZINC000049073163	563201493	/nfs/dbraw/zinc/20/14/93/563201493.db2.gz	WYYBBHDVIXUYQA-BNMUHQBYSA-N	-2	0	489.609	4.567	1	0		JJAFRL
O=c1c2c(oc([O-])c1[C@H](c1cccc([N-]S(=O)(=O)c3cscn3)c1)C1CC1)CCCCCC2	ZINC000101177417	581101595	/nfs/dbraw/zinc/10/15/95/581101595.db2.gz	KJFZULZFKVDUOW-NRFANRHFSA-N	-2	0	486.615	4.804	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756147	562988627	/nfs/dbraw/zinc/98/86/27/562988627.db2.gz	JISAPBDUWUKPNW-JOCHJYFZSA-N	-2	0	457.530	4.576	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2C)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756156	562988647	/nfs/dbraw/zinc/98/86/47/562988647.db2.gz	FCYAXIQNYQLVPY-QHCPKHFHSA-N	-2	0	471.557	4.885	1	0		JJAFRL
CC(C)[C@@H](c1cccc([N-]S(=O)(=O)c2cccnc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2	ZINC000013761723	562990129	/nfs/dbraw/zinc/99/01/29/562990129.db2.gz	LBHDTSVRSHXIQX-QHCPKHFHSA-N	-2	0	482.602	4.988	1	0		JJAFRL
CC(C)C[C@@H](c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1)c1c([O-])c2c(oc1=O)CCCCCC2	ZINC000013761719	562990182	/nfs/dbraw/zinc/99/01/82/562990182.db2.gz	HABWGFQXGJRKQW-NRFANRHFSA-N	-2	0	499.633	4.717	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026005736	563021486	/nfs/dbraw/zinc/02/14/86/563021486.db2.gz	PIBUIEXHVFJHNQ-UIOOFZCWSA-N	-2	0	499.511	4.640	1	0	in-vivo	JJAFRL
O=C(NCc1ccc(OCC2CCCCC2)c(Cl)c1)c1ccc(OP(=O)([O-])[O-])cc1	ZINC000026173515	563023429	/nfs/dbraw/zinc/02/34/29/563023429.db2.gz	YNRQCFBHWAZNDB-UHFFFAOYSA-N	-2	0	453.859	4.701	1	0		JJAFRL
O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1Cc1ccc(C(=O)[O-])cc1	ZINC000026574014	563030219	/nfs/dbraw/zinc/03/02/19/563030219.db2.gz	HHJWCONZILQEJI-UHFFFAOYSA-N	-2	0	490.899	4.968	1	0		JJAFRL
CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO[P@](=O)([O-])C[C@H](O)CC(=O)[O-]	ZINC000026667805	563033127	/nfs/dbraw/zinc/03/31/27/563033127.db2.gz	HJIFTSXYTJEVAA-QGZVFWFLSA-N	-2	0	467.474	4.846	1	0		JJAFRL
O=C([O-])c1ccc(NC(=S)Nc2ccccc2NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000027723511	563050340	/nfs/dbraw/zinc/05/03/40/563050340.db2.gz	QEGQWBWZERZNHI-UHFFFAOYSA-N	-2	0	466.544	4.701	1	0		JJAFRL
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-]	ZINC000034001086	563111720	/nfs/dbraw/zinc/11/17/20/563111720.db2.gz	CRDRINOGSPIHBH-JUNSPIRZSA-N	-2	0	490.593	4.502	3	0		JJAFRL
O=c1c2c(oc([O-])c1[C@H](c1cccc([N-]S(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2	ZINC000100013703	581101610	/nfs/dbraw/zinc/10/16/10/581101610.db2.gz	CJHRPARPKUPGLW-QHCPKHFHSA-N	-2	0	480.586	4.742	1	0		JJAFRL
CCCCc1ncc(C=C2C(=O)[N-]C(=O)N2Cc2ccccc2)n1Cc1ccc(C(=O)[O-])cc1	ZINC000013743406	562987767	/nfs/dbraw/zinc/98/77/67/562987767.db2.gz	JVGDBLGTHRLTPK-HMAPJEAMSA-N	-2	0	458.518	4.905	1	0		JJAFRL
CCc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[n-]2)cc1	ZINC000013760689	562989492	/nfs/dbraw/zinc/98/94/92/562989492.db2.gz	TZMGBKNGAYOAKZ-UHFFFAOYSA-N	-2	0	456.527	4.824	1	0		JJAFRL
Cc1ccc(-c2cc(Cl)ccc2CCCCCC[C@@H](O)C[C@](O)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000013781076	562992077	/nfs/dbraw/zinc/99/20/77/562992077.db2.gz	LDVDBXXLMFQBTL-BWKNWUBXSA-N	-2	0	462.970	4.850	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026006771	563021631	/nfs/dbraw/zinc/02/16/31/563021631.db2.gz	FRQBPLBJSVAMMC-RSXGOPAZSA-N	-2	0	485.484	4.770	1	0		JJAFRL
CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CC[P@](=O)([O-])C[C@H](O)CC(=O)[O-]	ZINC000026671518	563033316	/nfs/dbraw/zinc/03/33/16/563033316.db2.gz	CBXQRJJAFWNVCI-GOSISDBHSA-N	-2	0	465.502	4.957	1	0		JJAFRL
O=C([O-])CCc1cc(C(=O)c2cccc(C(=O)[O-])c2)ccc1OCCCCOc1ccccc1	ZINC000026674412	563033497	/nfs/dbraw/zinc/03/34/97/563033497.db2.gz	DYHUXRCFMYTJIJ-UHFFFAOYSA-N	-2	0	462.498	4.871	1	0		JJAFRL
O=C(Nc1cccc(F)c1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1	ZINC000029047904	563092635	/nfs/dbraw/zinc/09/26/35/563092635.db2.gz	AVBZVRGTYICWDB-UHFFFAOYSA-N	-2	0	475.157	4.616	1	0		JJAFRL
COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)CCCCCCC(=O)[O-])cc21	ZINC000029474066	563104815	/nfs/dbraw/zinc/10/48/15/563104815.db2.gz	ZVVOXQOHDPDVBR-UHFFFAOYSA-N	-2	0	452.507	4.760	1	0		JJAFRL
CCNc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1	ZINC000029555379	563106557	/nfs/dbraw/zinc/10/65/57/563106557.db2.gz	NHPIMBXSLCZMKF-UHFFFAOYSA-N	-2	0	455.474	4.637	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](Cc1cccc2ccccc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000001545207	562921045	/nfs/dbraw/zinc/92/10/45/562921045.db2.gz	UGLAENRVRPVULB-UIOOFZCWSA-N	-2	0	499.511	4.640	1	0		JJAFRL
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C(C(=O)[O-])=C(C(=O)[O-])N1Cc1ccccc1	ZINC000013553486	562973371	/nfs/dbraw/zinc/97/33/71/562973371.db2.gz	QTZRBAHJKMPGBS-FQEVSTJZSA-N	-2	0	469.921	4.588	1	0		JJAFRL
O=C([O-])C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1-c1ccc(F)cc1)C(=O)[O-]	ZINC000013781075	562992039	/nfs/dbraw/zinc/99/20/39/562992039.db2.gz	ZWPXZNPPOVGGCB-YKSBVNFPSA-N	-2	0	466.933	4.681	1	0		JJAFRL
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000016052233	563012946	/nfs/dbraw/zinc/01/29/46/563012946.db2.gz	ZNCZVHCYBGHCHA-XPIZARPCSA-N	-2	0	469.481	4.924	1	0	in-vivo	JJAFRL
O=[P@@]([O-])(O)[C@H](Cc1ccc2ccccc2c1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026007084	563021562	/nfs/dbraw/zinc/02/15/62/563021562.db2.gz	PIBUIEXHVFJHNQ-CLJLJLNGSA-N	-2	0	499.511	4.640	1	0		JJAFRL
O=C([O-])c1cc(Cl)ccc1NC(=O)CCCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000026579112	563031224	/nfs/dbraw/zinc/03/12/24/563031224.db2.gz	GLZLZRHLPUFKOL-UHFFFAOYSA-N	-2	0	453.278	4.527	1	0		JJAFRL
C[C@@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000027846666	563051794	/nfs/dbraw/zinc/05/17/94/563051794.db2.gz	QWXZZQLWCRFTRM-DVXDUOKCSA-N	-2	0	457.548	4.667	1	0		JJAFRL
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000028340880	563060459	/nfs/dbraw/zinc/06/04/59/563060459.db2.gz	JGCUZSUEHKDLTE-YDHSSHFGSA-N	-2	0	463.452	4.863	1	0		JJAFRL
CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2C(=O)[O-])cc1	ZINC000029343569	563101180	/nfs/dbraw/zinc/10/11/80/563101180.db2.gz	ASNCDNSJHCPGED-HSZRJFAPSA-N	-2	0	459.502	4.643	1	0		JJAFRL
C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-]	ZINC000034001088	563111732	/nfs/dbraw/zinc/11/17/32/563111732.db2.gz	CRDRINOGSPIHBH-QSSRVBAJSA-N	-2	0	490.593	4.502	3	0		JJAFRL
O=C([O-])c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(Cc3ccccc3)c(=O)n2[n-]1	ZINC000034820361	563116589	/nfs/dbraw/zinc/11/65/89/563116589.db2.gz	ODCZAQBCUIXYAP-UHFFFAOYSA-N	-2	0	451.482	4.558	1	0		JJAFRL
O=C([O-])CN(CC(=O)[O-])C(=O)/C=C/CCCCCCCCCC=C(Br)Br	ZINC000053243893	563205408	/nfs/dbraw/zinc/20/54/08/563205408.db2.gz	POGUYMWPCPVCTO-ZRDIBKRKSA-N	-2	0	497.224	4.683	1	0		JJAFRL
CCOc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[n-]2)cc1	ZINC000000606005	562918666	/nfs/dbraw/zinc/91/86/66/562918666.db2.gz	SRSIOZAWMSSYFH-UHFFFAOYSA-N	-2	0	472.526	4.660	1	0		JJAFRL
O=P([O-])([O-])C(F)(F)c1ccc(CCCCc2ccc(C(F)(F)P(=O)([O-])[O-])cc2)cc1	ZINC000002043451	562924662	/nfs/dbraw/zinc/92/46/62/562924662.db2.gz	SRHSAABKYJDBDV-UHFFFAOYSA-N	-4	0	470.292	4.706	1	0	in-vivo	JJAFRL
CC[C@H](C)n1cnnc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)c(Cl)cc1[S-]	ZINC000013533047	562972303	/nfs/dbraw/zinc/97/23/03/562972303.db2.gz	YYJBBMRMJUFDGE-ZDUSSCGKSA-N	-2	0	480.015	4.553	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccc(C)cc2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756149	562988620	/nfs/dbraw/zinc/98/86/20/562988620.db2.gz	OZJVXVMJGBRDIZ-HSZRJFAPSA-N	-2	0	471.557	4.885	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2cccc(C)c2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756152	562988641	/nfs/dbraw/zinc/98/86/41/562988641.db2.gz	FFOUJFOTOKUYGV-QHCPKHFHSA-N	-2	0	471.557	4.885	1	0		JJAFRL
C[C@H]1C([O-])=C(C(=O)Nc2ccc(OCCCCCCCC(=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000018066184	563014497	/nfs/dbraw/zinc/01/44/97/563014497.db2.gz	KGJMRHPWMFBOSE-SFHVURJKSA-N	-2	0	466.534	4.677	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](Cc2ccccc2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000026281005	563025399	/nfs/dbraw/zinc/02/53/99/563025399.db2.gz	YSBVVGPNUMRQEV-JOCHJYFZSA-N	-2	0	471.557	4.771	1	0		JJAFRL
CSc1ccc(NC(=O)CCCCC(=O)Nc2ccc(SC)cc2C(=O)[O-])c(C(=O)[O-])c1	ZINC000026578064	563031024	/nfs/dbraw/zinc/03/10/24/563031024.db2.gz	YCVKJHWZLCIHFD-UHFFFAOYSA-N	-2	0	476.576	4.664	1	0		JJAFRL
O=C([O-])c1ccc(NC(=S)Nc2cccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000027727091	563050565	/nfs/dbraw/zinc/05/05/65/563050565.db2.gz	JZQBYEVSORHVJB-UHFFFAOYSA-N	-2	0	466.544	4.701	1	0		JJAFRL
CSc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1	ZINC000029558779	563106784	/nfs/dbraw/zinc/10/67/84/563106784.db2.gz	JCLFWXXMGHFTNM-UHFFFAOYSA-N	-2	0	458.499	4.927	1	0		JJAFRL
CCN(CC)C(=O)c1ccc(Oc2cccc(CC(=O)[O-])c2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000045257361	563182882	/nfs/dbraw/zinc/18/28/82/563182882.db2.gz	FQHTWDMPLSLFNW-UHFFFAOYSA-N	-2	0	496.585	4.697	1	0		JJAFRL
C/C(=C\CC[C@](C)(O)CCCC1=CCN(CC(=O)[O-])C1=O)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-]	ZINC000049073161	563201524	/nfs/dbraw/zinc/20/15/24/563201524.db2.gz	WYYBBHDVIXUYQA-OSZPRZPPSA-N	-2	0	489.609	4.567	1	0		JJAFRL
COc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1	ZINC000013587599	562977192	/nfs/dbraw/zinc/97/71/92/562977192.db2.gz	KTUZQTINXXLANX-UHFFFAOYSA-N	-2	0	458.426	4.684	1	0		JJAFRL
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccccc1C(F)(F)F	ZINC000028128903	563057115	/nfs/dbraw/zinc/05/71/15/563057115.db2.gz	GMRIQTRWKFWFGF-OXTHUFEASA-N	-2	0	469.481	4.924	1	0		JJAFRL
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1cccc(C(F)(F)F)c1	ZINC000028339333	563060197	/nfs/dbraw/zinc/06/01/97/563060197.db2.gz	KKLAWYSPFUIZHE-XPIZARPCSA-N	-2	0	469.481	4.924	1	0		JJAFRL
C/C(=C\CC/C(C)=C/CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)CCC[NH+](C)C	ZINC000013473672	562966384	/nfs/dbraw/zinc/96/63/84/562966384.db2.gz	MQTYWKZQFYMNDN-WNWLUAIZSA-N	-2	0	453.453	4.954	1	0		JJAFRL
O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc([O-])c(C(=O)c3ccc(F)cc3)c2)c(Cl)c1	ZINC000013602432	562978497	/nfs/dbraw/zinc/97/84/97/562978497.db2.gz	XVVTZORFWQJUJQ-UHFFFAOYSA-N	-2	0	464.232	4.885	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2ccccc2Cc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746418	562988010	/nfs/dbraw/zinc/98/80/10/562988010.db2.gz	ZMOCESLEEQXYRI-QHCPKHFHSA-N	-2	0	476.487	4.784	1	0	in-vitro	JJAFRL
O=C([O-])C[C@@](O)(C[C@H](O)CCCCCn1c2ccc(Cl)cc2cc1-c1ccccc1)C(=O)[O-]	ZINC000013781093	562992070	/nfs/dbraw/zinc/99/20/70/562992070.db2.gz	OXVMIEMWSAKKMG-NLFFAJNJSA-N	-2	0	473.953	4.564	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026005796	563021452	/nfs/dbraw/zinc/02/14/52/563021452.db2.gz	FRQBPLBJSVAMMC-AHWVRZQESA-N	-2	0	485.484	4.770	1	0		JJAFRL
CCCOc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1	ZINC000029559384	563106874	/nfs/dbraw/zinc/10/68/74/563106874.db2.gz	XITHKDUQJMGBFZ-UHFFFAOYSA-N	-2	0	470.485	4.994	1	0		JJAFRL
C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)CNc1c(F)c(F)c(F)c(F)c1F	ZINC000033917561	563111310	/nfs/dbraw/zinc/11/13/10/563111310.db2.gz	WUQOCSHMGLPMCY-TXFIJWAUSA-N	-3	0	495.274	4.693	1	0		JJAFRL
O=C([O-])c1cncc(Oc2ncc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000053294184	563205593	/nfs/dbraw/zinc/20/55/93/563205593.db2.gz	VIQJVXBTZHDTPO-UHFFFAOYSA-N	-2	0	474.709	4.728	1	0		JJAFRL
CCc1cc2c(cc1C(=O)CCC(=O)[O-])CC1(C2)Cc2cc(CC)c(C(=O)CCC(=O)[O-])cc2C1	ZINC000001855350	562923472	/nfs/dbraw/zinc/92/34/72/562923472.db2.gz	OAAQWVPVUYSZGV-UHFFFAOYSA-N	-2	0	476.569	4.790	1	0		JJAFRL
O=C([O-])CCSC(SCCC(=O)[O-])c1cccc(NC(=O)c2ccc3ccccc3n2)c1	ZINC000013728018	562985065	/nfs/dbraw/zinc/98/50/65/562985065.db2.gz	QCNNTKHIVOJMKR-UHFFFAOYSA-N	-2	0	470.572	4.902	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2ccccc2Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746431	562988004	/nfs/dbraw/zinc/98/80/04/562988004.db2.gz	OWUNJYUFYHHJRN-QFIPXVFZSA-N	-2	0	478.459	4.986	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2C)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756154	562988631	/nfs/dbraw/zinc/98/86/31/562988631.db2.gz	FCYAXIQNYQLVPY-HSZRJFAPSA-N	-2	0	471.557	4.885	1	0		JJAFRL
CC(C)C[C@H](c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1)c1c([O-])c2c(oc1=O)CCCCCC2	ZINC000013761720	562990194	/nfs/dbraw/zinc/99/01/94/562990194.db2.gz	HABWGFQXGJRKQW-OAQYLSRUSA-N	-2	0	499.633	4.717	1	0		JJAFRL
O=C([O-])C[C@@](O)(C[C@H](O)CCCCCn1cc(-c2ccccc2)c2cc(Cl)ccc21)C(=O)[O-]	ZINC000013781091	562992074	/nfs/dbraw/zinc/99/20/74/562992074.db2.gz	PYGTWHSSQGBVEC-CLOONOSVSA-N	-2	0	473.953	4.564	1	0		JJAFRL
COc1ccc(-c2cc(Cl)ccc2CCCCCC[C@@H](O)C[C@](O)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000013781077	562992079	/nfs/dbraw/zinc/99/20/79/562992079.db2.gz	HLJWGJAQKDLDJT-NLFFAJNJSA-N	-2	0	478.969	4.550	1	0		JJAFRL
COc1ccccc1[C@H]1[C@@H](C(=O)[O-])C[C@@](CC(C)C)(C(=O)[O-])N1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000028337223	563060131	/nfs/dbraw/zinc/06/01/31/563060131.db2.gz	OUTVMSLRCKASPE-WXVUKLJWSA-N	-2	0	493.478	4.872	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040951072	563159556	/nfs/dbraw/zinc/15/95/56/563159556.db2.gz	AHPNQARALAWXAF-MRXNPFEDSA-N	-2	0	455.252	4.500	1	0		JJAFRL
C/C(=C\CC[C@@](C)(O)CCCC1=CC(=O)N(CC(=O)[O-])C1)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-]	ZINC000049068987	563201023	/nfs/dbraw/zinc/20/10/23/563201023.db2.gz	YIDCSRZOFJQWFI-KVHXZWPJSA-N	-2	0	489.609	4.567	1	0		JJAFRL
CC(C)CCc1ccccc1Oc1cccc(CCC[C@@H]([P@@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746420	562988099	/nfs/dbraw/zinc/98/80/99/562988099.db2.gz	HEKHFQSMOGEBBN-NRFANRHFSA-N	-2	0	456.497	4.782	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2cccc(C)c2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756150	562988623	/nfs/dbraw/zinc/98/86/23/562988623.db2.gz	FFOUJFOTOKUYGV-HSZRJFAPSA-N	-2	0	471.557	4.885	1	0		JJAFRL
O=C([O-])COc1c(Br)c(-c2ccc(NC(=O)c3ccccc3)cc2)sc1C(=O)[O-]	ZINC000014955130	563007399	/nfs/dbraw/zinc/00/73/99/563007399.db2.gz	PQTDUGMZQMDJRW-UHFFFAOYSA-N	-2	0	476.304	4.592	1	0		JJAFRL
O=C([O-])c1cc(Cl)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000026579822	563031286	/nfs/dbraw/zinc/03/12/86/563031286.db2.gz	LORWORVMBIJEFF-UHFFFAOYSA-N	-2	0	467.305	4.918	1	0		JJAFRL
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000028344814	563060643	/nfs/dbraw/zinc/06/06/43/563060643.db2.gz	ZNCZVHCYBGHCHA-WJPUGNRLSA-N	-2	0	469.481	4.924	1	0		JJAFRL
C/C(=C\CC[C@](C)(O)CCCC1=CC(=O)N(CC(=O)[O-])C1)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-]	ZINC000049068985	563201040	/nfs/dbraw/zinc/20/10/40/563201040.db2.gz	YIDCSRZOFJQWFI-PEDZCDOHSA-N	-2	0	489.609	4.567	1	0		JJAFRL
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)c1	ZINC000012428648	526394204	/nfs/dbraw/zinc/39/42/04/526394204.db2.gz	DORMNIVSDNEPEU-MUNADWAUSA-N	-2	0	481.599	4.939	2	0		JJAFRL
O=C([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)c1	ZINC000012428647	526394438	/nfs/dbraw/zinc/39/44/38/526394438.db2.gz	DORMNIVSDNEPEU-BLOGRXRUSA-N	-2	0	481.599	4.939	2	0		JJAFRL
O=C([O-])C/C(C(=O)[O-])=C(/CCCCCCCCCCCCCCCCOS(=O)(=O)[O-])C(=O)[O-]	ZINC000003918476	562929776	/nfs/dbraw/zinc/92/97/76/562929776.db2.gz	SDWSBMKMILEYGK-VHEBQXMUSA-N	-4	0	494.603	4.598	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](Cc1cccc2ccccc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000011686310	562957445	/nfs/dbraw/zinc/95/74/45/562957445.db2.gz	UGLAENRVRPVULB-IZZNHLLZSA-N	-2	0	499.511	4.640	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccc(C)cc2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756148	562988634	/nfs/dbraw/zinc/98/86/34/562988634.db2.gz	OZJVXVMJGBRDIZ-QHCPKHFHSA-N	-2	0	471.557	4.885	1	0		JJAFRL
Cc1nc(-c2ccccc2)c(C)c(-c2ccc(F)cc2)c1CO[P@](=O)([O-])C[C@H](O)CC(=O)[O-]	ZINC000026673800	563033510	/nfs/dbraw/zinc/03/35/10/563033510.db2.gz	NUCMYORIWWCAOB-HXUWFJFHSA-N	-2	0	473.437	4.709	1	0		JJAFRL
O=C([O-])C[C@@H](O)C[P@](=O)([O-])OCc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C1CC1	ZINC000026716509	563033699	/nfs/dbraw/zinc/03/36/99/563033699.db2.gz	FMVRMFLKZQQWFP-HXUWFJFHSA-N	-2	0	485.448	4.970	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040405726	563140037	/nfs/dbraw/zinc/14/00/37/563140037.db2.gz	IXUQPEQMTGBOKR-QHCPKHFHSA-N	-2	0	476.487	4.784	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc(Oc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040423753	563142554	/nfs/dbraw/zinc/14/25/54/563142554.db2.gz	CCBYUTHOHYHCOS-JOCHJYFZSA-N	-2	0	478.459	4.986	1	0		JJAFRL
CC(C)CCC[C@@H](CCC[C@@H](C)CCC[C@H](C)COS(=O)(=O)[O-])COS(=O)(=O)[O-]	ZINC000040873495	563151708	/nfs/dbraw/zinc/15/17/08/563151708.db2.gz	WOCUWJQHAIJZGY-FHWLQOOXSA-N	-2	0	460.655	4.681	1	0		JJAFRL
Cc1ccc([C@H](C[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])C(=O)[O-])cc1	ZINC000013741336	562987023	/nfs/dbraw/zinc/98/70/23/562987023.db2.gz	ANAUDJHBMPCLLI-RPBOFIJWSA-N	-2	0	459.542	4.670	1	0		JJAFRL
CCNc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[n-]2)cc1	ZINC000013760698	562989499	/nfs/dbraw/zinc/98/94/99/562989499.db2.gz	WQDFECRQRMTUPE-UHFFFAOYSA-N	-2	0	471.542	4.693	1	0		JJAFRL
C[C@H]([C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(C)C(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000013776796	562991088	/nfs/dbraw/zinc/99/10/88/562991088.db2.gz	MKPPODPKGOWVRL-LIVBEALHSA-N	-2	0	466.361	4.732	1	0		JJAFRL
O=C([O-])COc1c(Br)c(-c2cccc(NCc3ccccc3)c2)sc1C(=O)[O-]	ZINC000016052431	563012948	/nfs/dbraw/zinc/01/29/48/563012948.db2.gz	XEQPGVUGYAUMSA-UHFFFAOYSA-N	-2	0	462.321	4.951	1	0	in-vivo	JJAFRL
CCCc1nc2c(nc(C(=O)[O-])cc2C)n1Cc1cc(Br)c([O-])c(Br)c1	ZINC000026185748	563024096	/nfs/dbraw/zinc/02/40/96/563024096.db2.gz	BGISYOOICYUPJS-UHFFFAOYSA-N	-2	0	483.160	4.669	1	0		JJAFRL
Cc1c(CCCC(=O)[O-])c2cc(S(=O)(=O)[O-])ccc2n1C(=O)c1ccc(-c2ccccc2)cc1	ZINC000028122417	563056811	/nfs/dbraw/zinc/05/68/11/563056811.db2.gz	OKIXAHXBFGQEMF-UHFFFAOYSA-N	-2	0	477.538	4.959	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc(Oc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040423752	563142513	/nfs/dbraw/zinc/14/25/13/563142513.db2.gz	CCBYUTHOHYHCOS-QFIPXVFZSA-N	-2	0	478.459	4.986	1	0		JJAFRL
O=c1c2c(oc([O-])c1[C@@H](c1cccc([N-]S(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2	ZINC000100013705	581101533	/nfs/dbraw/zinc/10/15/33/581101533.db2.gz	CJHRPARPKUPGLW-HSZRJFAPSA-N	-2	0	480.586	4.742	1	0		JJAFRL
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1	ZINC000012428650	526393973	/nfs/dbraw/zinc/39/39/73/526393973.db2.gz	DORMNIVSDNEPEU-JCCYKQGYSA-N	-2	0	481.599	4.939	2	0		JJAFRL
O=C([O-])CCCCCCCOc1ccc(NC(=O)C2=C([O-])CN(c3ccccc3Cl)C2=O)cc1	ZINC000013440330	562962953	/nfs/dbraw/zinc/96/29/53/562962953.db2.gz	ZWTVEFPOKCKQCX-UHFFFAOYSA-N	-2	0	486.952	4.941	1	0		JJAFRL
COc1cc2[n-]c([O-])c(C(=O)Nc3ccc(OCCCCCCCC(=O)[O-])cc3)c(=O)c2cc1OC	ZINC000013440364	562963004	/nfs/dbraw/zinc/96/30/04/562963004.db2.gz	JZDJMNBIEHYGSB-UHFFFAOYSA-N	-3	0	498.532	4.720	1	0		JJAFRL
CC[C@@H](C)n1cnnc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)c(Cl)cc1[S-]	ZINC000013533043	562972357	/nfs/dbraw/zinc/97/23/57/562972357.db2.gz	YYJBBMRMJUFDGE-CYBMUJFWSA-N	-2	0	480.015	4.553	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026005742	563021519	/nfs/dbraw/zinc/02/15/19/563021519.db2.gz	PIBUIEXHVFJHNQ-IZZNHLLZSA-N	-2	0	499.511	4.640	1	0	in-vivo	JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](Cc2ccccc2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000026281011	563025376	/nfs/dbraw/zinc/02/53/76/563025376.db2.gz	YSBVVGPNUMRQEV-QFIPXVFZSA-N	-2	0	471.557	4.771	1	0		JJAFRL
C[C@@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000027846684	563051776	/nfs/dbraw/zinc/05/17/76/563051776.db2.gz	QWXZZQLWCRFTRM-OSGPJOMKSA-N	-2	0	457.548	4.667	1	0		JJAFRL
CCCCc1ncc(C=C2C(=O)[N-]C(=O)N2Cc2cccs2)n1Cc1ccc(C(=O)[O-])cc1	ZINC000013743409	562987722	/nfs/dbraw/zinc/98/77/22/562987722.db2.gz	REEAQOCYIOBPQU-UDWIEESQSA-N	-2	0	464.547	4.967	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccccc2Cc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746416	562988030	/nfs/dbraw/zinc/98/80/30/562988030.db2.gz	ZMOCESLEEQXYRI-HSZRJFAPSA-N	-2	0	476.487	4.784	1	0	in-vitro	JJAFRL
CC(C)=CCc1ccccc1Oc1cccc(CCC[C@@H]([P@@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746425	562988076	/nfs/dbraw/zinc/98/80/76/562988076.db2.gz	RELHVFPZHHKBMY-NRFANRHFSA-N	-2	0	454.481	4.702	1	0		JJAFRL
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000016052234	563012893	/nfs/dbraw/zinc/01/28/93/563012893.db2.gz	SWYJAQWTBADJTB-RHGYRFJNSA-N	-2	0	458.580	4.598	1	0	in-vivo	JJAFRL
O=C([O-])CCc1cc(C(=O)c2cccc(C(=O)[O-])c2)ccc1OCCCC[S@@](=O)c1ccccc1	ZINC000026716295	563033658	/nfs/dbraw/zinc/03/36/58/563033658.db2.gz	GMPUCSZSPYUANB-DHUJRADRSA-N	-2	0	494.565	4.600	1	0		JJAFRL
Cn1c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2c(-c2ccccc2)c1C(=O)[O-]	ZINC000028458310	563064291	/nfs/dbraw/zinc/06/42/91/563064291.db2.gz	DHIQADKPIHYRJD-UHFFFAOYSA-N	-2	0	457.511	4.893	1	0		JJAFRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040951069	563159547	/nfs/dbraw/zinc/15/95/47/563159547.db2.gz	AHPNQARALAWXAF-INIZCTEOSA-N	-2	0	455.252	4.500	1	0		JJAFRL
CCCCCCNC(=O)Nc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c2ccccc12	ZINC000043073899	563166494	/nfs/dbraw/zinc/16/64/94/563166494.db2.gz	UHZWEAJPLMCKAX-UHFFFAOYSA-N	-2	0	477.517	4.989	1	0		JJAFRL
O=C([O-])C[C@H](NC(=O)/C=C/CCCCCCCCCC=C(Br)Br)C(=O)[O-]	ZINC000053276330	563205471	/nfs/dbraw/zinc/20/54/71/563205471.db2.gz	DYROEQVICQQNRV-WONIAPNHSA-N	-2	0	497.224	4.729	1	0		JJAFRL
O=c1c2c(oc([O-])c1[C@@H](c1cccc([N-]S(=O)(=O)c3cscn3)c1)C1CC1)CCCCCC2	ZINC000101177420	581101457	/nfs/dbraw/zinc/10/14/57/581101457.db2.gz	KJFZULZFKVDUOW-OAQYLSRUSA-N	-2	0	486.615	4.804	1	0		JJAFRL
O=C([O-])COc1c(Br)c(-c2ccc(C(=O)Nc3ccccc3)cc2)sc1C(=O)[O-]	ZINC000014955135	563007420	/nfs/dbraw/zinc/00/74/20/563007420.db2.gz	ZEMIXMQOAQEUEU-UHFFFAOYSA-N	-2	0	476.304	4.592	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026006765	563021578	/nfs/dbraw/zinc/02/15/78/563021578.db2.gz	FRQBPLBJSVAMMC-AOYPEHQESA-N	-2	0	485.484	4.770	1	0		JJAFRL
Cc1nc(-c2ccccc2)c(C)c(-c2ccc(F)cc2)c1CC[P@](=O)([O-])C[C@H](O)CC(=O)[O-]	ZINC000026673507	563033393	/nfs/dbraw/zinc/03/33/93/563033393.db2.gz	NBWGEXMQIQJQJZ-OAQYLSRUSA-N	-2	0	471.465	4.820	1	0		JJAFRL
O=C([O-])CCc1cc(C(=O)c2cccc(C(=O)[O-])c2)ccc1OCCCC[S@](=O)c1ccccc1	ZINC000026716299	563033655	/nfs/dbraw/zinc/03/36/55/563033655.db2.gz	GMPUCSZSPYUANB-PGUFJCEWSA-N	-2	0	494.565	4.600	1	0		JJAFRL
O=C([O-])c1ccc(NC(=S)Nc2ccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000027722865	563050379	/nfs/dbraw/zinc/05/03/79/563050379.db2.gz	WOWXXENYGIWZDW-UHFFFAOYSA-N	-2	0	466.544	4.701	1	0		JJAFRL
C[C@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000027846675	563051784	/nfs/dbraw/zinc/05/17/84/563051784.db2.gz	QWXZZQLWCRFTRM-LNHNDHHWSA-N	-2	0	457.548	4.667	1	0		JJAFRL
C[C@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000027846691	563051813	/nfs/dbraw/zinc/05/18/13/563051813.db2.gz	QWXZZQLWCRFTRM-YFYZNPQRSA-N	-2	0	457.548	4.667	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040405729	563140087	/nfs/dbraw/zinc/14/00/87/563140087.db2.gz	IXUQPEQMTGBOKR-HSZRJFAPSA-N	-2	0	476.487	4.784	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040422961	563142101	/nfs/dbraw/zinc/14/21/01/563142101.db2.gz	RSJKGCWWIOKROE-MRXNPFEDSA-N	-2	0	455.252	4.500	1	0		JJAFRL
CC(C)CCC[C@@H](CCC[C@H](C)CCC[C@H](C)COS(=O)(=O)[O-])COS(=O)(=O)[O-]	ZINC000040873493	563151700	/nfs/dbraw/zinc/15/17/00/563151700.db2.gz	WOCUWJQHAIJZGY-QYZOEREBSA-N	-2	0	460.655	4.681	1	0		JJAFRL
CC(C)CCC[C@H](CCC[C@@H](C)CCC[C@H](C)COS(=O)(=O)[O-])COS(=O)(=O)[O-]	ZINC000040873491	563151709	/nfs/dbraw/zinc/15/17/09/563151709.db2.gz	WOCUWJQHAIJZGY-GBESFXJTSA-N	-2	0	460.655	4.681	1	0		JJAFRL
CCC(=O)Nc1ccc(Oc2cccc(CC(=O)[O-])c2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000045254884	563182537	/nfs/dbraw/zinc/18/25/37/563182537.db2.gz	ZHZGGZWUGPFQNZ-UHFFFAOYSA-N	-2	0	488.949	4.909	1	0		JJAFRL
CC(C)Cn1c(-c2ccc(P(=O)([O-])[O-])o2)nc2c1c(-c1ccc(Cl)cc1)cc(F)c2N	ZINC000045335003	563189790	/nfs/dbraw/zinc/18/97/90/563189790.db2.gz	MZFUZMZNPCZZOB-UHFFFAOYSA-N	-2	0	463.833	4.797	1	0		JJAFRL
CN(C)c1ccc(C(c2c([O-])c3ccccc3oc2=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000004062977	562932118	/nfs/dbraw/zinc/93/21/18/562932118.db2.gz	USKPTQBBWNBVFF-UHFFFAOYSA-N	-2	0	455.466	4.557	1	0		JJAFRL
CCOc1cc(C(c2c([O-])c3ccccc3oc2=O)c2c([O-])c3ccccc3oc2=O)ccc1OC	ZINC000006010210	562936330	/nfs/dbraw/zinc/93/63/30/562936330.db2.gz	FXAGEJXMLSHWAG-UHFFFAOYSA-N	-2	0	486.476	4.898	1	0		JJAFRL
O=C([O-])CCCCCCCOc1ccc(NC(=O)C2=C([O-])CN(c3ccc(Cl)cc3)C2=O)cc1	ZINC000013440313	562962987	/nfs/dbraw/zinc/96/29/87/562962987.db2.gz	ODJAYWSGCZNBHK-UHFFFAOYSA-N	-2	0	486.952	4.941	1	0		JJAFRL
CCCCc1ncc(C=C2C(=O)[N-]C(=O)N2Cc2ccccc2)n1Cc1ccc(C(=O)[O-])cc1	ZINC000013743407	562987718	/nfs/dbraw/zinc/98/77/18/562987718.db2.gz	JVGDBLGTHRLTPK-HYARGMPZSA-N	-2	0	458.518	4.905	1	0		JJAFRL
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013756146	562988615	/nfs/dbraw/zinc/98/86/15/562988615.db2.gz	JISAPBDUWUKPNW-QFIPXVFZSA-N	-2	0	457.530	4.576	1	0		JJAFRL
O=[P@@]([O-])(O)[C@@H](N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026005790	563021525	/nfs/dbraw/zinc/02/15/25/563021525.db2.gz	FRQBPLBJSVAMMC-AZGAKELHSA-N	-2	0	485.484	4.770	1	0		JJAFRL
O=C([O-])COc1c(Br)c(-c2cccc(NC(=O)c3ccccc3)c2)sc1C(=O)[O-]	ZINC000028711529	563076466	/nfs/dbraw/zinc/07/64/66/563076466.db2.gz	VXLRVGCHBXLATN-UHFFFAOYSA-N	-2	0	476.304	4.592	1	0		JJAFRL
O=C([O-])COc1c(Br)c(-c2cccc(OCc3ccccc3)c2)sc1C(=O)[O-]	ZINC000028711533	563076474	/nfs/dbraw/zinc/07/64/74/563076474.db2.gz	GSQNETMICDITMP-UHFFFAOYSA-N	-2	0	463.305	4.918	1	0		JJAFRL
CCCCCC(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)[O-])cc1OC)cn2CC(=O)[O-]	ZINC000029469250	563104433	/nfs/dbraw/zinc/10/44/33/563104433.db2.gz	LKOYDJWTMMCUOD-UHFFFAOYSA-N	-2	0	452.507	4.542	1	0		JJAFRL