smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S1(=O)OCCOS(=O)(=O)C1=C([O-])c1ccc2ccccc2c1	ZINC000001647411	204016058	/nfs/dbraw/zinc/01/60/58/204016058.db2.gz	NYGUYYAVMUERTC-UHFFFAOYSA-N	-1	0	356.377	1.055	40	30		FDEBRM
CC(CCn1[n-]c(=O)ccc1=O)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000017196473	518778636	/nfs/dbraw/zinc/77/86/36/518778636.db2.gz	BIPFPNMXWSKNLN-DHDCSXOGSA-N	-1	0	362.302	1.643	40	30		FDEBRM
CCCCCCCCN(CCOCCOCCO)C(=O)/C=C\C(=O)[O-]	ZINC000100924200	525217178	/nfs/dbraw/zinc/21/71/78/525217178.db2.gz	JJSBNIMFZVIBOW-HJWRWDBZSA-N	-1	0	359.463	1.842	40	30		FDEBRM
N/C(=N\O)NN=Cc1cc(Br)cc(Br)c1[O-]	ZINC000005567055	204216474	/nfs/dbraw/zinc/21/64/74/204216474.db2.gz	RVXULOSKNOTEBK-BASWHVEKSA-N	-1	0	351.986	1.545	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl	ZINC000101299220	525218376	/nfs/dbraw/zinc/21/83/76/525218376.db2.gz	ONAPRZMAZYXQKB-OXLCNLPBSA-N	-1	0	369.855	1.855	40	30		FDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	ZINC000101310851	525219662	/nfs/dbraw/zinc/21/96/62/525219662.db2.gz	FPBUTPVYOILURQ-RNZSINEYSA-N	-1	0	368.436	1.153	40	30		FDEBRM
Nc1nnnn1N=Cc1cc(Br)c([O-])c(Br)c1	ZINC000245227851	537655909	/nfs/dbraw/zinc/65/59/09/537655909.db2.gz	RURYNVWYULHYCX-UHFFFAOYSA-N	-1	0	361.985	1.368	40	30		FDEBRM
C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	ZINC000408587792	570566050	/nfs/dbraw/zinc/56/60/50/570566050.db2.gz	AGGHIRLSCJUOMS-XNTDXEJSSA-N	-1	0	350.330	1.829	40	30		FDEBRM
C=CCN1C(=O)/C(=C\c2ccccc2O[C@@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409192420	570738026	/nfs/dbraw/zinc/73/80/26/570738026.db2.gz	CGQSZGAPJRXRPD-JMZICWNOSA-N	-1	0	360.391	1.351	40	30		FDEBRM
O=C(NC(=S)N[N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccnc1	ZINC000004950581	206185789	/nfs/dbraw/zinc/18/57/89/206185789.db2.gz	UGNOIWDBXRDJBV-UHFFFAOYSA-N	-1	0	370.843	1.644	40	30		FDEBRM
C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)CCC(=O)[O-])C=C1C	ZINC000030881478	519399854	/nfs/dbraw/zinc/39/98/54/519399854.db2.gz	ZZDADXDZKDFJIJ-ULQDDVLXSA-N	-1	0	362.470	1.962	40	30	biogenic,in-vitro	FDEBRM
O=C(C[C@H]1SC(=O)[N-]C1=O)O/N=C1\NC(=O)C(=Cc2ccco2)S1	ZINC000032597671	527186845	/nfs/dbraw/zinc/18/68/45/527186845.db2.gz	RSWGEAYNNXNZFB-RXLGXGPVSA-N	-1	0	367.364	1.039	40	30		FDEBRM
O=C(Nc1ccc(F)cc1)C([O-])=C([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000001626682	204015455	/nfs/dbraw/zinc/01/54/55/204015455.db2.gz	LLFJYBIJNREACE-DZGCQCFKSA-N	-1	0	358.281	1.890	40	30		FDEBRM
Nc1nnnn1/N=C/c1cc(Br)c([O-])c(Br)c1	ZINC000005567092	204216541	/nfs/dbraw/zinc/21/65/41/204216541.db2.gz	RURYNVWYULHYCX-KGVSQERTSA-N	-1	0	361.985	1.368	40	30		FDEBRM
C=CCN1C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000013546424	518659745	/nfs/dbraw/zinc/65/97/45/518659745.db2.gz	DBZPCRFESPSQGG-WEVVVXLNSA-N	-1	0	363.351	1.122	40	30		FDEBRM
CS[C@@H]1C(C(=O)c2ccco2)C(=CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716359	522545261	/nfs/dbraw/zinc/54/52/61/522545261.db2.gz	LHFKOOCPCXVHBS-DYZYQPBXSA-N	-1	0	365.407	1.944	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1	ZINC000101314226	525219779	/nfs/dbraw/zinc/21/97/79/525219779.db2.gz	PCIKGKFQFOBTCD-WBWGMUNBSA-N	-1	0	367.427	1.336	40	30		FDEBRM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	ZINC000101310856	525220153	/nfs/dbraw/zinc/22/01/53/525220153.db2.gz	FPBUTPVYOILURQ-CLPFFNAISA-N	-1	0	368.436	1.153	40	30		FDEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242687921	571358550	/nfs/dbraw/zinc/35/85/50/571358550.db2.gz	VAPVFMKTNSXPFG-JZXOWHBKSA-N	-1	0	371.370	1.950	40	30		FDEBRM
C#CCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCC	ZINC000004568777	206180018	/nfs/dbraw/zinc/18/00/18/206180018.db2.gz	ZIVWMELDNIWKFD-FNORWQNLSA-N	-1	0	357.322	1.965	40	30		FDEBRM
CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C#N)C(=O)[O-]	ZINC000218201098	206368735	/nfs/dbraw/zinc/36/87/35/206368735.db2.gz	FXRSRHPQFTZITO-GMXVVIOVSA-N	-1	0	358.213	1.944	40	30		FDEBRM
CO/N=C(/C(=O)[O-])c1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1	ZINC000021991790	518889289	/nfs/dbraw/zinc/88/92/89/518889289.db2.gz	GGQBZAQDZRIQNC-CUBCEWPISA-N	-1	0	372.403	1.430	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1	ZINC000101314231	525220045	/nfs/dbraw/zinc/22/00/45/525220045.db2.gz	PCIKGKFQFOBTCD-INGRWJPNSA-N	-1	0	367.427	1.336	40	30		FDEBRM
N#Cc1c(F)cccc1Nc1cc(C(F)(F)F)nc(NCC(=O)[O-])n1	ZINC000328960403	203843767	/nfs/dbraw/zinc/84/37/67/203843767.db2.gz	AXDNIUCFLXSEOF-UHFFFAOYSA-N	-1	0	355.251	1.590	40	30		FDEBRM
C[C@@H](Oc1ccccc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409360718	263551002	/nfs/dbraw/zinc/55/10/02/263551002.db2.gz	RENBMTNWBSTIQX-LLVKDONJSA-N	-1	0	353.334	1.836	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1	ZINC000101301012	525218208	/nfs/dbraw/zinc/21/82/08/525218208.db2.gz	LLAANVIEEMIHIU-DRYFDLRVSA-N	-1	0	369.855	1.855	40	30		FDEBRM
N/C(=N\O)NN=Cc1cc(Br)cc(Br)c1[O-]	ZINC000006499580	204250484	/nfs/dbraw/zinc/25/04/84/204250484.db2.gz	RVXULOSKNOTEBK-KGVSQERTSA-N	-1	0	351.986	1.545	40	30		FDEBRM
COc1ccc(C(=O)C2C(=CC(=O)[O-])C(=O)N(C)[C@@H]2SC)cc1OC	ZINC000062716223	522545228	/nfs/dbraw/zinc/54/52/28/522545228.db2.gz	BKKDUTCSFOSJRL-QGZVFWFLSA-N	-1	0	365.407	1.819	40	30		FDEBRM
O=C([O-])C[C@H]1C(=O)N2CCNC2=C1C(=O)c1ccc(Br)cc1	ZINC000062716245	522545797	/nfs/dbraw/zinc/54/57/97/522545797.db2.gz	MSBIMCGWXVMGCG-SNVBAGLBSA-N	-1	0	365.183	1.380	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1	ZINC000101300542	525218518	/nfs/dbraw/zinc/21/85/18/525218518.db2.gz	NEIDVMYZTQKEHG-AAGTZJIKSA-N	-1	0	353.400	1.341	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F	ZINC000101309543	525219425	/nfs/dbraw/zinc/21/94/25/525219425.db2.gz	ATEOVWAMRRYFRX-GWCPFFAYSA-N	-1	0	371.390	1.480	40	30		FDEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccn2)C1=O	ZINC000408537336	570519351	/nfs/dbraw/zinc/51/93/51/570519351.db2.gz	VIPWOKPKJSFPTI-OTGIAGGSSA-N	-1	0	352.350	1.560	40	30		FDEBRM
C=N[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-])c1ccccc1	ZINC000001843023	209490250	/nfs/dbraw/zinc/49/02/50/209490250.db2.gz	FZECHKJQHUVANE-YFCNSXCBSA-N	-1	0	361.423	1.060	40	30		FDEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1)C(=O)[O-]	ZINC000409359955	570753393	/nfs/dbraw/zinc/75/33/93/570753393.db2.gz	OMYSIDBWYBCNIX-LLVKDONJSA-N	-1	0	353.334	1.836	40	30		FDEBRM
O=C1[N-]C(=O)C2(O[C@@H]3c4ccccc4C=CN3C3=C2C(=O)CCC3)C(=O)N1	ZINC000001580643	518232796	/nfs/dbraw/zinc/23/27/96/518232796.db2.gz	BEJAPPUIZHBRIM-OAHLLOKOSA-N	-1	0	365.345	1.114	40	30		FDEBRM
O=C(C[C@@H]1SC(=O)[N-]C1=O)O/N=C1\NC(=O)C(=Cc2ccco2)S1	ZINC000032597669	527145424	/nfs/dbraw/zinc/14/54/24/527145424.db2.gz	RSWGEAYNNXNZFB-IPWDFOCMSA-N	-1	0	367.364	1.039	40	30		FDEBRM
COc1cc([N+](=O)[O-])cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1[O-]	ZINC000035183094	208119102	/nfs/dbraw/zinc/11/91/02/208119102.db2.gz	HLAKIRBLWAVZFX-CXUHLZMHSA-N	-1	0	365.367	1.930	40	30		FDEBRM
N#Cc1c(SCC(=O)Nc2nncs2)sc2c1[nH]c(=O)cc2[O-]	ZINC000013119383	518650973	/nfs/dbraw/zinc/65/09/73/518650973.db2.gz	PQPVKPUSPFHSSH-UHFFFAOYSA-N	-1	0	365.421	1.749	40	30		FDEBRM
N#C[C@@]1(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218153333	537458668	/nfs/dbraw/zinc/45/86/68/537458668.db2.gz	VAPVFMKTNSXPFG-SOLBZPMBSA-N	-1	0	371.370	1.950	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F	ZINC000101309545	209224190	/nfs/dbraw/zinc/22/41/90/209224190.db2.gz	ATEOVWAMRRYFRX-CGXJIKNUSA-N	-1	0	371.390	1.480	40	30		FDEBRM
O=c1[n-]c(=O)c(NN=C2c3ccccc3-c3nc4ccccc4nc32)n[nH]1	ZINC000102939398	525315237	/nfs/dbraw/zinc/31/52/37/525315237.db2.gz	GRIOJWWZWBQIPD-HMAPJEAMSA-N	-1	0	357.333	1.246	40	30		FDEBRM
NC1=NN(c2ccccc2)C(=O)C1=NNc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000035570562	207212233	/nfs/dbraw/zinc/21/22/33/207212233.db2.gz	WCUVUDBYHWMKJK-CPNJWEJPSA-N	-1	0	368.309	1.380	40	30		FDEBRM
O=C([O-])C[C@H]1S/C(=N/N=C\c2ccc(Br)cc2)NC1=O	ZINC000009189446	207261537	/nfs/dbraw/zinc/26/15/37/207261537.db2.gz	BWOUJPRBGHSJCP-WFNNLQEBSA-N	-1	0	356.201	1.845	40	30		FDEBRM
C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1	ZINC000003874214	518279247	/nfs/dbraw/zinc/27/92/47/518279247.db2.gz	FZECHKJQHUVANE-FJJYHAOUSA-N	-1	0	361.423	1.060	40	30	world	FDEBRM
COc1cc(/C=N/NC(N)=S)c(Br)cc1OCC(=O)[O-]	ZINC000013747543	518667001	/nfs/dbraw/zinc/66/70/01/518667001.db2.gz	OYZVBWSKTNUTSJ-LNKIKWGQSA-N	-1	0	362.205	1.088	40	30		FDEBRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(C#N)C(=O)[O-]	ZINC000242495168	571334234	/nfs/dbraw/zinc/33/42/34/571334234.db2.gz	FXRSRHPQFTZITO-WZRBSPASSA-N	-1	0	358.213	1.944	40	30		FDEBRM
COC(=O)/C(=N\[O-])[C@@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccccc1C	ZINC000102980880	209245506	/nfs/dbraw/zinc/24/55/06/209245506.db2.gz	KMLZUNUPNDWMJH-MYKQLWFJSA-N	-1	0	360.366	1.657	40	30		FDEBRM
NC(=N[N+](=O)[O-])NN=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000003087804	518259035	/nfs/dbraw/zinc/25/90/35/518259035.db2.gz	LZJBKCBKMYNOLU-OMCISZLKSA-N	-1	0	351.706	1.938	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)nn1	ZINC000408536863	570518450	/nfs/dbraw/zinc/51/84/50/570518450.db2.gz	SVKDYADLMQLHLH-GFCCVEGCSA-N	-1	0	353.338	1.395	40	30		FDEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1)C(=O)[O-]	ZINC000409359959	570753398	/nfs/dbraw/zinc/75/33/98/570753398.db2.gz	OMYSIDBWYBCNIX-NSHDSACASA-N	-1	0	353.334	1.836	40	30		FDEBRM
O=C([O-])C[C@H]1S/C(=N/N=C\c2cccc(Br)c2)NC1=O	ZINC000005427965	219678156	/nfs/dbraw/zinc/67/81/56/219678156.db2.gz	IOACTLFRMUOGPE-WFNNLQEBSA-N	-1	0	356.201	1.845	40	30		FDEBRM
N#C[C@]12C(=O)[N-]C(=O)[C@@]1(C#N)C21c2ccccc2N(Cc2ccccc2)C1=O	ZINC000100243391	209212069	/nfs/dbraw/zinc/21/20/69/209212069.db2.gz	AHXGTZLQSXTAIH-WCRBZPEASA-N	-1	0	368.352	1.161	40	30		FDEBRM
N#Cc1cc2cc3c(cc2nc1NCCNC(=O)CCC(=O)[O-])OCO3	ZINC000035311317	207132650	/nfs/dbraw/zinc/13/26/50/207132650.db2.gz	DKAYZCYQVUXNPX-UHFFFAOYSA-N	-1	0	356.338	1.228	40	30		FDEBRM
COc1ccc(C(=O)C2C(=CC(=O)[O-])C(=O)N(C)[C@@H]2SC)c(OC)c1	ZINC000062716213	522545507	/nfs/dbraw/zinc/54/55/07/522545507.db2.gz	UNVGHUCHJIGBMH-QGZVFWFLSA-N	-1	0	365.407	1.819	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)nn1	ZINC000408533762	570514839	/nfs/dbraw/zinc/51/48/39/570514839.db2.gz	KSHTZQJTKRZVDX-JTQLQIEISA-N	-1	0	369.337	1.095	40	30		FDEBRM
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)=C([O-])C=C(C)C	ZINC000102986915	209245307	/nfs/dbraw/zinc/24/53/07/209245307.db2.gz	RSIHBZPJVYCRFT-OAHLLOKOSA-N	-1	0	359.378	1.705	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(c3ncccn3)CC2)=NC12CCCCCC2	ZINC000010385658	518535025	/nfs/dbraw/zinc/53/50/25/518535025.db2.gz	GJKZAKRRHBKYTE-OAHLLOKOSA-N	-1	0	367.457	1.317	40	30		FDEBRM
COc1cc(/C=N/O)cc(I)c1OCC(=O)[O-]	ZINC000013747699	518667765	/nfs/dbraw/zinc/66/77/65/518667765.db2.gz	AWXKUQHHBFUWIU-UUILKARUSA-N	-1	0	351.096	1.571	40	30		FDEBRM
CCOC(=O)N1CCN(C2=NC3(CCC(C)CC3)C(C#N)=C([O-])N2)CC1	ZINC000020636677	518855546	/nfs/dbraw/zinc/85/55/46/518855546.db2.gz	RUHYXLYYODEBAA-TXKKKEFDSA-N	-1	0	361.446	1.335	40	30		FDEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)cc1	ZINC000408537356	570519794	/nfs/dbraw/zinc/51/97/94/570519794.db2.gz	VMADKPNRYDVZAY-BKQORJHRSA-N	-1	0	352.350	1.560	40	30		FDEBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC#N	ZINC000006355024	518369977	/nfs/dbraw/zinc/36/99/77/518369977.db2.gz	ZIDFBXKHRBMRCM-HWKANZROSA-N	-1	0	358.310	1.443	40	30		FDEBRM
CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C#N)C(=O)[O-]	ZINC000218201039	537460965	/nfs/dbraw/zinc/46/09/65/537460965.db2.gz	FXRSRHPQFTZITO-DMDPSCGWSA-N	-1	0	358.213	1.944	40	30		FDEBRM
C=CC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1	ZINC000223646145	537532014	/nfs/dbraw/zinc/53/20/14/537532014.db2.gz	FPNDCDPDBZKUGR-UHFFFAOYSA-N	-1	0	358.832	1.908	40	30		FDEBRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)s1	ZINC000224241137	519529259	/nfs/dbraw/zinc/52/92/59/519529259.db2.gz	VMGBFEZEIWIJIA-UHFFFAOYSA-N	-1	0	365.440	1.999	40	30		FDEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(OC)nn3)C2=O)c1	ZINC000408536895	570518372	/nfs/dbraw/zinc/51/83/72/570518372.db2.gz	TUUCOJZRZHJLOI-GFCCVEGCSA-N	-1	0	369.337	1.095	40	30		FDEBRM
O=C([O-])[C@H](CS)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O	ZINC000040388231	519642930	/nfs/dbraw/zinc/64/29/30/519642930.db2.gz	ZWUSELPTOBRVTR-ZDUSSCGKSA-N	-1	0	367.390	1.662	40	30		FDEBRM
O=C([O-])C[C@@H]1C(=O)N2CCNC2=C1C(=O)c1ccc(Br)cc1	ZINC000103594175	525370427	/nfs/dbraw/zinc/37/04/27/525370427.db2.gz	MSBIMCGWXVMGCG-JTQLQIEISA-N	-1	0	365.183	1.380	40	30		FDEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)c1	ZINC000408531318	570512651	/nfs/dbraw/zinc/51/26/51/570512651.db2.gz	GRHIJSLVENNQPT-SKCQWOFPSA-N	-1	0	352.350	1.560	40	30		FDEBRM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1c(C#N)cnn1-c1ccccc1F	ZINC000036615527	211125399	/nfs/dbraw/zinc/12/53/99/211125399.db2.gz	PXUMXEPUSCXNJF-UHFFFAOYSA-N	-1	0	354.301	1.567	40	30		FDEBRM
C=CCC1(OC(C)=O)Cc2c([O-])c(O)c(n2OC(=O)c2ccccc2)C1	ZINC000104215419	222353104	/nfs/dbraw/zinc/35/31/04/222353104.db2.gz	HJHJIHHVMPTNQS-HUUCEWRRSA-N	-1	0	357.362	1.621	40	30		FDEBRM
O=C([N-][C@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccoc1)C(Cl)(Cl)Cl	ZINC000005906471	518358543	/nfs/dbraw/zinc/35/85/43/518358543.db2.gz	WZEBFUVXSLZWBF-ZZQAECKPSA-N	-1	0	373.645	1.351	40	30		FDEBRM
NC(=S)N/N=C\c1cc(Br)c([O-])c(Br)c1O	ZINC000006132350	518364094	/nfs/dbraw/zinc/36/40/94/518364094.db2.gz	UTJSDBUUDHPLQY-OIXVIMQBSA-N	-1	0	369.038	1.790	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(c3ccc(F)cc3)CC2)=NC12CCCC2	ZINC000014608384	518695251	/nfs/dbraw/zinc/69/52/51/518695251.db2.gz	NSUGTVLTSFOFFZ-MRXNPFEDSA-N	-1	0	355.417	1.886	40	30		FDEBRM
COc1ccc(C(=O)C2C(=CC(=O)[O-])C(=O)N(C)[C@H]2SC)c(OC)c1	ZINC000062716214	522545111	/nfs/dbraw/zinc/54/51/11/522545111.db2.gz	UNVGHUCHJIGBMH-KRWDZBQOSA-N	-1	0	365.407	1.819	40	30		FDEBRM
C/N=C1/SC(=Cc2c(=O)[n-]c(=S)n(-c3ccccc3)c2O)C(=O)N1C	ZINC000408847902	570691637	/nfs/dbraw/zinc/69/16/37/570691637.db2.gz	WQRJLWAOGRGGIU-INMRCEDASA-N	-1	0	374.447	1.125	40	30		FDEBRM
O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccoc1)C(Cl)(Cl)Cl	ZINC000005906494	518358647	/nfs/dbraw/zinc/35/86/47/518358647.db2.gz	WZEBFUVXSLZWBF-TUCHBUMMSA-N	-1	0	373.645	1.351	40	30		FDEBRM
C=CCN1C(=O)[C@@H](CC(=O)NCC(=O)[O-])S/C1=N/c1ccc(F)cc1	ZINC000100912536	222256805	/nfs/dbraw/zinc/25/68/05/222256805.db2.gz	KBOMMOMIGAYWRO-OHEASWGXSA-N	-1	0	365.386	1.534	40	30		FDEBRM
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)=C([O-])C=C(C)C	ZINC000102986916	222316588	/nfs/dbraw/zinc/31/65/88/222316588.db2.gz	RSIHBZPJVYCRFT-HNNXBMFYSA-N	-1	0	359.378	1.705	40	30		FDEBRM
C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-])c1ccccc1	ZINC000003874217	518279480	/nfs/dbraw/zinc/27/94/80/518279480.db2.gz	FZECHKJQHUVANE-RTWAVKEYSA-N	-1	0	361.423	1.060	40	30	world	FDEBRM
O=C1[N-]C(=O)C2(O[C@H]3c4ccccc4C=CN3C3=C2C(=O)CCC3)C(=O)N1	ZINC000006576089	518376834	/nfs/dbraw/zinc/37/68/34/518376834.db2.gz	BEJAPPUIZHBRIM-HNNXBMFYSA-N	-1	0	365.345	1.114	40	30		FDEBRM
CC1CCC2(CC1)N=C(N1CCN(c3ccccn3)CC1)NC([O-])=C2C#N	ZINC000010385560	518535912	/nfs/dbraw/zinc/53/59/12/518535912.db2.gz	GRMWZLKLGPGWRL-NGEICVOHSA-N	-1	0	366.469	1.778	40	30		FDEBRM
O=C1Nc2ccc(S(=O)(=O)[O-])cc2C1=NNc1ccccc1[N+](=O)[O-]	ZINC000013099299	211021916	/nfs/dbraw/zinc/02/19/16/211021916.db2.gz	UNCWHIJFMMDYME-UHFFFAOYSA-N	-1	0	362.323	1.610	40	30	in-vitro	FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000101309723	222268398	/nfs/dbraw/zinc/26/83/98/222268398.db2.gz	INKMQMNENJIZJV-SERCKONLSA-N	-1	0	353.469	1.186	40	30		FDEBRM
COc1ccc(NC(=O)C(=Cn2c(=O)cc([O-])[nH]c2=S)C(C)=O)cc1	ZINC000005601682	518349809	/nfs/dbraw/zinc/34/98/09/518349809.db2.gz	LQKYDKVGBCKJFK-WQLSENKSSA-N	-1	0	361.379	1.151	40	30		FDEBRM
CSC1C(C(=O)C(F)(F)F)=C(CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716403	522544084	/nfs/dbraw/zinc/54/40/84/522544084.db2.gz	VIMZLNMUGPOZJN-WPPNPWJKSA-N	-1	0	367.345	1.599	40	30		FDEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)cc1	ZINC000408537359	570519730	/nfs/dbraw/zinc/51/97/30/570519730.db2.gz	VMADKPNRYDVZAY-VUQQOUJSSA-N	-1	0	352.350	1.560	40	30		FDEBRM
CCOc1cc(C=NN2C(=S)N=NC2CC)ccc1OCC(=O)[O-]	ZINC000408858734	570693040	/nfs/dbraw/zinc/69/30/40/570693040.db2.gz	LMUXHOJXVWCFJI-LZYBPNLTSA-N	-1	0	350.400	1.874	40	30		FDEBRM
C=CCOC(=O)[C@H]1[C@H](c2cccc(OC)c2)c2c([nH][nH]c2=O)C[C@]1(C)O	ZINC000004908677	210105448	/nfs/dbraw/zinc/10/54/48/210105448.db2.gz	FXSIRFOWSICKNB-OGWOLHLISA-N	-1	0	358.394	1.908	40	30		FDEBRM
CCOc1cc(/C=C2\NC(=O)[N-]C2=O)c(Br)cc1OCC#N	ZINC000002772410	210076772	/nfs/dbraw/zinc/07/67/72/210076772.db2.gz	SNOJGEHTNKEYDI-YHYXMXQVSA-N	-1	0	366.171	1.930	40	30		FDEBRM
C/N=C1/SC(=Cc2c(=O)[n-]c(=S)n(-c3ccccc3)c2O)C(=O)N1C	ZINC000408847899	263500640	/nfs/dbraw/zinc/50/06/40/263500640.db2.gz	WQRJLWAOGRGGIU-GKZDTBPDSA-N	-1	0	374.447	1.125	40	30		FDEBRM
O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1[O-])C31CC1	ZINC000005007181	518324909	/nfs/dbraw/zinc/32/49/09/518324909.db2.gz	AQLAKXNZQADAAK-WIHLHEQOSA-N	-1	0	353.334	1.832	40	30		FDEBRM
N#CCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002753264	219462449	/nfs/dbraw/zinc/46/24/49/219462449.db2.gz	BWPWKJTYQHXREO-UHFFFAOYSA-N	-1	0	350.128	1.101	40	30		FDEBRM
C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)[O-])C2=O)cc1	ZINC000005373794	518343286	/nfs/dbraw/zinc/34/32/86/518343286.db2.gz	DZIAONWTPCFRAC-OEMOTLHWSA-N	-1	0	365.432	1.898	40	30		FDEBRM
Cc1ccc(S(=O)([O-])=NC(=O)N2CCN(c3ccccn3)CC2)cc1	ZINC000019594322	518820416	/nfs/dbraw/zinc/82/04/16/518820416.db2.gz	HTHVTUCYOKDXNY-UHFFFAOYSA-N	-1	0	360.439	1.815	40	30		FDEBRM
C=CCNC(=S)N/C=C/c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001637562	518949518	/nfs/dbraw/zinc/94/95/18/518949518.db2.gz	QYMGZHZIWDSOSS-HWKANZROSA-N	-1	0	352.328	1.822	40	30		FDEBRM
N#C[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000242687924	571358552	/nfs/dbraw/zinc/35/85/52/571358552.db2.gz	VAPVFMKTNSXPFG-NUJGCVRESA-N	-1	0	371.370	1.950	40	30		FDEBRM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	ZINC000101310854	222268369	/nfs/dbraw/zinc/26/83/69/222268369.db2.gz	FPBUTPVYOILURQ-VBMPLNBNSA-N	-1	0	368.436	1.153	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1	ZINC000101300550	222267559	/nfs/dbraw/zinc/26/75/59/222267559.db2.gz	NEIDVMYZTQKEHG-DRYFDLRVSA-N	-1	0	353.400	1.341	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1	ZINC000101317313	222268614	/nfs/dbraw/zinc/26/86/14/222268614.db2.gz	WQXHAVTUEONYMW-LWPKIGSASA-N	-1	0	369.855	1.855	40	30		FDEBRM
N#Cc1nc(C=C([O-])c2ccncc2)c(CC(=O)c2ccncc2)nc1C#N	ZINC000001588972	518232360	/nfs/dbraw/zinc/23/23/60/518232360.db2.gz	KIMLCWMTXAGSNX-UHFFFAOYSA-N	-1	0	368.356	1.861	40	30		FDEBRM
O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccoc1)C(Cl)(Cl)Cl	ZINC000005906522	518359083	/nfs/dbraw/zinc/35/90/83/518359083.db2.gz	WZEBFUVXSLZWBF-SJXAGTRMSA-N	-1	0	373.645	1.351	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)nn1	ZINC000408536864	570518577	/nfs/dbraw/zinc/51/85/77/570518577.db2.gz	SVKDYADLMQLHLH-LBPRGKRZSA-N	-1	0	353.338	1.395	40	30		FDEBRM
N#Cc1c(N)[nH]c2nc(=O)[n-]c(=O)c-2c1-c1cccc(Br)c1	ZINC000014001428	220101720	/nfs/dbraw/zinc/10/17/20/220101720.db2.gz	UUMNACOXYQVSMJ-UHFFFAOYSA-N	-1	0	358.155	1.907	40	30		FDEBRM
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000017147979	220206962	/nfs/dbraw/zinc/20/69/62/220206962.db2.gz	VLVJIQLQZUBUMO-ZSOIEALJSA-N	-1	0	366.311	1.521	40	30		FDEBRM
COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(C(C)=O)c1)=C([O-])C=C(C)C	ZINC000102942777	222314386	/nfs/dbraw/zinc/31/43/86/222314386.db2.gz	FZRZDRPTHIRIJC-OAHLLOKOSA-N	-1	0	373.361	1.290	40	30		FDEBRM
C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000059139886	522334900	/nfs/dbraw/zinc/33/49/00/522334900.db2.gz	IOWNESBZNANIEN-UHFFFAOYSA-N	-1	0	374.418	1.477	40	30		FDEBRM
CCOc1cc(C=NN2C(=O)CSC2=S)ccc1OCC(=O)[O-]	ZINC000409327108	570750026	/nfs/dbraw/zinc/75/00/26/570750026.db2.gz	IAKLETLNLMWYPN-UUASQNMZSA-N	-1	0	354.409	1.743	40	30		FDEBRM
CCOC(=O)CC[C@@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000001592757	219412755	/nfs/dbraw/zinc/41/27/55/219412755.db2.gz	OJMMHEYXOMAEAO-LLVKDONJSA-N	-1	0	365.769	1.902	40	30		FDEBRM
C=N[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1	ZINC000009212388	263360297	/nfs/dbraw/zinc/36/02/97/263360297.db2.gz	FZECHKJQHUVANE-OXIQGZBJSA-N	-1	0	361.423	1.060	40	30		FDEBRM
C[C@@H](Oc1cccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1)C(=O)[O-]	ZINC000409345553	263550231	/nfs/dbraw/zinc/55/02/31/263550231.db2.gz	MBMKEKOFEARGLZ-LLVKDONJSA-N	-1	0	353.334	1.836	40	30		FDEBRM
C=CCOc1ccc(/C=C2\SC(=S)N([C@H](CO)C(=O)[O-])C2=O)cc1	ZINC000005373797	518343694	/nfs/dbraw/zinc/34/36/94/518343694.db2.gz	DZIAONWTPCFRAC-YFBAIUBQSA-N	-1	0	365.432	1.898	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(c3ncccn3)CC2)=NC12CCCCCC2	ZINC000010385652	518535958	/nfs/dbraw/zinc/53/59/58/518535958.db2.gz	GJKZAKRRHBKYTE-HNNXBMFYSA-N	-1	0	367.457	1.317	40	30		FDEBRM
C=N[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-])c1ccccc1	ZINC000013298644	518655164	/nfs/dbraw/zinc/65/51/64/518655164.db2.gz	FZECHKJQHUVANE-FUTJPDQTSA-N	-1	0	361.423	1.060	40	30	in-vitro	FDEBRM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1c(C#N)cnn1-c1ccc(F)cc1	ZINC000036615493	519624090	/nfs/dbraw/zinc/62/40/90/519624090.db2.gz	NFWDUDVJMOEOFS-UHFFFAOYSA-N	-1	0	354.301	1.567	40	30		FDEBRM
COCc1cc(C)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c(=O)c1C#N	ZINC000409412465	571319546	/nfs/dbraw/zinc/31/95/46/571319546.db2.gz	MPIKHLUBFDTKTB-UHFFFAOYSA-N	-1	0	372.337	1.427	40	30		FDEBRM
N#Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000001097106	518226914	/nfs/dbraw/zinc/22/69/14/518226914.db2.gz	NSWIFMPNBMLBKY-VGOFMYFVSA-N	-1	0	361.313	1.953	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F	ZINC000101306145	525219856	/nfs/dbraw/zinc/21/98/56/525219856.db2.gz	GUPZKKGCESETDN-AAGTZJIKSA-N	-1	0	353.400	1.341	40	30		FDEBRM
C#CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1I	ZINC000408916461	570699239	/nfs/dbraw/zinc/69/92/39/570699239.db2.gz	CRDNXYMIJZTEID-JXMROGBWSA-N	-1	0	368.130	1.484	40	30		FDEBRM
CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(C#N)C(=O)[O-]	ZINC000242495167	571334210	/nfs/dbraw/zinc/33/42/10/571334210.db2.gz	FXRSRHPQFTZITO-LOWVWBTDSA-N	-1	0	358.213	1.944	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl	ZINC000101299209	222267388	/nfs/dbraw/zinc/26/73/88/222267388.db2.gz	ONAPRZMAZYXQKB-AAGTZJIKSA-N	-1	0	369.855	1.855	40	30		FDEBRM
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)N[C@@](C)(CO)CCO	ZINC000101153892	222263529	/nfs/dbraw/zinc/26/35/29/222263529.db2.gz	WLSXLPWQIHDWEH-FMAYLGMYSA-N	-1	0	360.410	1.054	40	30		FDEBRM
Cc1cc(C)nc(N=C([N-]S(=O)(=O)c2nc[nH]n2)NCCC(C)C)n1	ZINC000020478020	518851615	/nfs/dbraw/zinc/85/16/15/518851615.db2.gz	JVPSXOHGPVBGLC-UHFFFAOYSA-N	-1	0	366.451	1.004	40	30		FDEBRM
C=CCOc1c(Br)cc(CN=Nc2nnn[n-]2)cc1OC	ZINC000035189332	519601393	/nfs/dbraw/zinc/60/13/93/519601393.db2.gz	GTMLHWBRMDCZRG-AUWJEWJLSA-N	-1	0	353.180	1.982	40	30		FDEBRM
C=CCN1C(=O)/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)NC1=S	ZINC000101242064	525218545	/nfs/dbraw/zinc/21/85/45/525218545.db2.gz	UGZVIDDNWUNNAQ-WEVVVXLNSA-N	-1	0	367.770	1.767	40	30		FDEBRM
C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-])c1ccccc1	ZINC000003874215	219527533	/nfs/dbraw/zinc/52/75/33/219527533.db2.gz	FZECHKJQHUVANE-BLTAXRJOSA-N	-1	0	361.423	1.060	40	30	world	FDEBRM
COc1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000005496250	518346483	/nfs/dbraw/zinc/34/64/83/518346483.db2.gz	DFOYMPGCMOGNON-DHDCSXOGSA-N	-1	0	351.340	1.621	40	30		FDEBRM
N#C[C@]1(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218153257	537458846	/nfs/dbraw/zinc/45/88/46/537458846.db2.gz	VAPVFMKTNSXPFG-RYRKJORJSA-N	-1	0	371.370	1.950	40	30		FDEBRM
C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409132837	570729758	/nfs/dbraw/zinc/72/97/58/570729758.db2.gz	RQGIGRQKIGORQV-IZZDOVSWSA-N	-1	0	366.757	1.891	40	30		FDEBRM
N#Cc1c(F)cccc1Nc1cc(-c2cccnc2)nc(NCC(=O)[O-])n1	ZINC000328977849	223127267	/nfs/dbraw/zinc/12/72/67/223127267.db2.gz	FWKPXOSKZIOYGA-UHFFFAOYSA-N	-1	0	364.340	1.633	40	30		FDEBRM
C=CCNC(=S)N/C=C\c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000017223570	220211860	/nfs/dbraw/zinc/21/18/60/220211860.db2.gz	QYMGZHZIWDSOSS-HYXAFXHYSA-N	-1	0	352.328	1.822	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000101309725	222269016	/nfs/dbraw/zinc/26/90/16/222269016.db2.gz	INKMQMNENJIZJV-IUGGITAVSA-N	-1	0	353.469	1.186	40	30		FDEBRM
O=C([O-])C[C@H]1C[C@H](O)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104226227	222352473	/nfs/dbraw/zinc/35/24/73/222352473.db2.gz	ZJMDADJFELHGPA-YDXGPURUSA-N	-1	0	352.303	1.907	40	30		FDEBRM
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1[O-])C31CC1	ZINC000005007169	518325512	/nfs/dbraw/zinc/32/55/12/518325512.db2.gz	AQLAKXNZQADAAK-LCLFPERTSA-N	-1	0	353.334	1.832	40	30		FDEBRM
COc1cc(Br)cc(C=Nn2c(=O)c(C)n[n-]c2=S)c1O	ZINC000008228574	518464149	/nfs/dbraw/zinc/46/41/49/518464149.db2.gz	JMLGUHKORSXXGW-LHHJGKSTSA-N	-1	0	371.216	1.968	40	30		FDEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)c1	ZINC000408531319	570512770	/nfs/dbraw/zinc/51/27/70/570512770.db2.gz	GRHIJSLVENNQPT-VUQQOUJSSA-N	-1	0	352.350	1.560	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(C(=O)c3ccco3)CC2)=NC12CCCCC2	ZINC000017075711	263372243	/nfs/dbraw/zinc/37/22/43/263372243.db2.gz	KITJWCOWOJSMTA-CQSZACIVSA-N	-1	0	369.425	1.366	40	30		FDEBRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCC#N	ZINC000002771494	518249811	/nfs/dbraw/zinc/24/98/11/518249811.db2.gz	FLGFNKIFXAPBHG-UITAMQMPSA-N	-1	0	352.144	1.540	40	30		FDEBRM
CS[C@H]1C(C(=O)c2ccco2)C(=CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716360	522544411	/nfs/dbraw/zinc/54/44/11/522544411.db2.gz	LHFKOOCPCXVHBS-BTDLBPIBSA-N	-1	0	365.407	1.944	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl	ZINC000101299216	525218500	/nfs/dbraw/zinc/21/85/00/525218500.db2.gz	ONAPRZMAZYXQKB-DRYFDLRVSA-N	-1	0	369.855	1.855	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F	ZINC000101306151	525220194	/nfs/dbraw/zinc/22/01/94/525220194.db2.gz	GUPZKKGCESETDN-OXLCNLPBSA-N	-1	0	353.400	1.341	40	30		FDEBRM
C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OC)c1OCC(=O)[O-]	ZINC000409066564	570718597	/nfs/dbraw/zinc/71/85/97/570718597.db2.gz	BXAMMOWXHZAXIE-UHFFFAOYSA-N	-1	0	364.350	1.617	40	30		FDEBRM
COc1cc(/C=N\n2cnnc2)cc(Br)c1OCC(=O)[O-]	ZINC000002775617	204055525	/nfs/dbraw/zinc/05/55/25/204055525.db2.gz	PJTOEPFVIGNMJL-XRVIQIRUSA-N	-1	0	355.148	1.395	40	30		FDEBRM
CCOC(=O)N1CCN(C2=NC3(CCC(C)CC3)C(C#N)=C([O-])N2)CC1	ZINC000020636680	518855337	/nfs/dbraw/zinc/85/53/37/518855337.db2.gz	RUHYXLYYODEBAA-FVRSWCFKSA-N	-1	0	361.446	1.335	40	30		FDEBRM
CCOc1c(Br)cc(-c2[nH]c(=O)[n-]c(=O)c2C#N)cc1OC	ZINC000059639476	522339443	/nfs/dbraw/zinc/33/94/43/522339443.db2.gz	PJJDBDHYVFSAIE-UHFFFAOYSA-N	-1	0	366.171	1.772	40	30		FDEBRM
C/C(=N\C[C@H](O)CO)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370372	525213384	/nfs/dbraw/zinc/21/33/84/525213384.db2.gz	LFCDDBGLJOXGGZ-PCXKXAPESA-N	-1	0	352.390	1.859	40	30		FDEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccn2)C1=O	ZINC000408537333	570519366	/nfs/dbraw/zinc/51/93/66/570519366.db2.gz	VIPWOKPKJSFPTI-LPXFMOJISA-N	-1	0	352.350	1.560	40	30		FDEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(OC)nn3)C2=O)cc1	ZINC000408536474	570520188	/nfs/dbraw/zinc/52/01/88/570520188.db2.gz	ROLFSEXOTDYFBU-GFCCVEGCSA-N	-1	0	369.337	1.095	40	30		FDEBRM
COc1cccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)c1	ZINC000100530529	206223209	/nfs/dbraw/zinc/22/32/09/206223209.db2.gz	KRZMEHDOCPVSNQ-HMMYKYKNSA-N	-1	0	353.407	1.953	40	30		FDEBRM
C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000556223013	544119903	/nfs/dbraw/zinc/11/99/03/544119903.db2.gz	NMWLSCIOLDMJCX-ZDUSSCGKSA-N	-1	0	373.452	1.057	40	30		FDEBRM
COC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@H]2[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000575083830	550423105	/nfs/dbraw/zinc/42/31/05/550423105.db2.gz	WBQZTNXTTZOSLT-NVGVWMPQSA-N	-1	0	358.350	1.948	40	30		FDEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)cc1	ZINC000408537357	570519639	/nfs/dbraw/zinc/51/96/39/570519639.db2.gz	VMADKPNRYDVZAY-MXDDHBLUSA-N	-1	0	352.350	1.560	40	30		FDEBRM
O=C([O-])C[C@H]1C[C@H](O)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005495679	204212725	/nfs/dbraw/zinc/21/27/25/204212725.db2.gz	ZJMDADJFELHGPA-INQJKNJSSA-N	-1	0	352.303	1.907	40	30		FDEBRM
CC1N=NC(=S)N1N=Cc1ccc(OCC(=O)[O-])c(Br)c1	ZINC000408875321	263503443	/nfs/dbraw/zinc/50/34/43/263503443.db2.gz	JKVXNWVYFDXBJZ-LHHJGKSTSA-N	-1	0	371.216	1.983	40	30		FDEBRM
CS[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716239	522544471	/nfs/dbraw/zinc/54/44/71/522544471.db2.gz	NBULVBRLSFDZBI-OAHLLOKOSA-N	-1	0	350.352	1.710	40	30		FDEBRM
CSC1C(C(=O)C(F)(F)F)=C(CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716406	522545441	/nfs/dbraw/zinc/54/54/41/522545441.db2.gz	VIMZLNMUGPOZJN-UHLUBPPHSA-N	-1	0	367.345	1.599	40	30		FDEBRM
CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)cc3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064254	525130402	/nfs/dbraw/zinc/13/04/02/525130402.db2.gz	RHGDSKSIOLPFQR-LPHOPBHVSA-N	-1	0	355.394	1.344	40	30		FDEBRM
Cn1c2ccccc2c([O-])c(C2=NNC(=O)C2=NNc2ccccc2)c1=O	ZINC000100353818	525213509	/nfs/dbraw/zinc/21/35/09/525213509.db2.gz	JFMCCDYEJFJKGC-UHFFFAOYSA-N	-1	0	361.361	1.546	40	30		FDEBRM
COc1ccc(CC(=O)N=C2C=CC(=S(N)(=O)[O-])C=C2)cc1OC	ZINC000409415725	570759192	/nfs/dbraw/zinc/75/91/92/570759192.db2.gz	MJQVQUKVWBHCNB-UHFFFAOYSA-N	-1	0	350.396	1.143	40	30		FDEBRM
COc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000001581990	204013042	/nfs/dbraw/zinc/01/30/42/204013042.db2.gz	AKNZPQJWRNKNMU-OQLLNIDSSA-N	-1	0	351.340	1.621	40	30		FDEBRM
NC(=N[N+](=O)[O-])NN=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000033725763	206517243	/nfs/dbraw/zinc/51/72/43/206517243.db2.gz	LZJBKCBKMYNOLU-SOFYXZRVSA-N	-1	0	351.706	1.728	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(C(=O)c3ccco3)CC2)=NC12CCCCC2	ZINC000017075712	263372246	/nfs/dbraw/zinc/37/22/46/263372246.db2.gz	KITJWCOWOJSMTA-AWEZNQCLSA-N	-1	0	369.425	1.366	40	30		FDEBRM
CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCC#N	ZINC000002772453	518248574	/nfs/dbraw/zinc/24/85/74/518248574.db2.gz	ONKILLMRLZMUAV-POHAHGRESA-N	-1	0	366.171	1.930	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(c3ccc(F)cc3)CC2)=NC12CCCC2	ZINC000014608385	518695322	/nfs/dbraw/zinc/69/53/22/518695322.db2.gz	NSUGTVLTSFOFFZ-INIZCTEOSA-N	-1	0	355.417	1.886	40	30		FDEBRM
C=CCOc1ccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000224901839	519041422	/nfs/dbraw/zinc/04/14/22/519041422.db2.gz	PDGDUTIZBSQRKD-UHFFFAOYSA-N	-1	0	354.413	1.862	40	30		FDEBRM
C[C@H](Oc1ccccc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409360722	570753402	/nfs/dbraw/zinc/75/34/02/570753402.db2.gz	RENBMTNWBSTIQX-NSHDSACASA-N	-1	0	353.334	1.836	40	30		FDEBRM
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(S(=O)(=O)[O-])c2)cc1	ZINC000001561137	204012648	/nfs/dbraw/zinc/01/26/48/204012648.db2.gz	XNPJSJUFYCECCL-OQLLNIDSSA-N	-1	0	370.408	1.260	40	30		FDEBRM
COc1cc(/C=N/n2cnnc2)cc(Br)c1OCC(=O)[O-]	ZINC000002775618	206231927	/nfs/dbraw/zinc/23/19/27/206231927.db2.gz	PJTOEPFVIGNMJL-AYSLTRBKSA-N	-1	0	355.148	1.395	40	30		FDEBRM
C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000556223010	544119822	/nfs/dbraw/zinc/11/98/22/544119822.db2.gz	NMWLSCIOLDMJCX-CYBMUJFWSA-N	-1	0	373.452	1.057	40	30		FDEBRM
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409344861	263550022	/nfs/dbraw/zinc/55/00/22/263550022.db2.gz	JSZOHURHRJTKGL-UHFFFAOYSA-N	-1	0	356.294	1.607	40	30		FDEBRM
CC(C)(C)C(=O)ON1CCN(C(=O)OCc2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000012359345	518608175	/nfs/dbraw/zinc/60/81/75/518608175.db2.gz	LCSRJDYJFIWKSV-CQSZACIVSA-N	-1	0	364.398	1.898	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1	ZINC000101317312	525220257	/nfs/dbraw/zinc/22/02/57/525220257.db2.gz	WQXHAVTUEONYMW-AAGTZJIKSA-N	-1	0	369.855	1.855	40	30		FDEBRM
COC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@@H]2[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000575083831	550423036	/nfs/dbraw/zinc/42/30/36/550423036.db2.gz	WBQZTNXTTZOSLT-ZTFRIQLXSA-N	-1	0	358.350	1.948	40	30		FDEBRM
C=CCN1C(=O)[C@H](CC(=O)NCC(=O)[O-])S/C1=N/c1ccc(F)cc1	ZINC000100912533	206225856	/nfs/dbraw/zinc/22/58/56/206225856.db2.gz	KBOMMOMIGAYWRO-NWLJZCLZSA-N	-1	0	365.386	1.534	40	30		FDEBRM
O=C(C=Cc1ccccc1)NC(=S)N[N-]S(=O)(=O)c1ccccc1	ZINC000002690721	518247328	/nfs/dbraw/zinc/24/73/28/518247328.db2.gz	LMBJMGRJFVFATD-VAWYXSNFSA-N	-1	0	361.448	1.995	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(c3ccccn3)CC2)=NC12CCCCCC2	ZINC000010385646	518535804	/nfs/dbraw/zinc/53/58/04/518535804.db2.gz	PTMIDTNVYQRTPB-MRXNPFEDSA-N	-1	0	366.469	1.922	40	30		FDEBRM
COc1ccc(C(=O)C2C(=CC(=O)[O-])C(=O)N(C)[C@H]2SC)cc1OC	ZINC000062716224	522545214	/nfs/dbraw/zinc/54/52/14/522545214.db2.gz	BKKDUTCSFOSJRL-KRWDZBQOSA-N	-1	0	365.407	1.819	40	30		FDEBRM
C=CCN1C(=O)/C(=C\c2ccccc2O[C@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409192422	570738004	/nfs/dbraw/zinc/73/80/04/570738004.db2.gz	CGQSZGAPJRXRPD-WJEYQPDNSA-N	-1	0	360.391	1.351	40	30		FDEBRM
CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409353531	570752454	/nfs/dbraw/zinc/75/24/54/570752454.db2.gz	MRRGPQYRCJRART-UHFFFAOYSA-N	-1	0	370.321	1.997	40	30		FDEBRM
CCNC(=S)N/N=C/c1ccc(OCC(=O)[O-])c(Br)c1	ZINC000033795533	519591073	/nfs/dbraw/zinc/59/10/73/519591073.db2.gz	VLFPRXFOAYNTAT-GIDUJCDVSA-N	-1	0	360.233	1.730	40	30		FDEBRM
C=CCN1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)NC1=S	ZINC000408901797	570696217	/nfs/dbraw/zinc/69/62/17/570696217.db2.gz	CKTYWYYHUZVBJJ-PCRWRXJSSA-N	-1	0	368.418	1.381	40	30		FDEBRM
N#Cc1c(F)cccc1Nc1cc(-c2ccncc2)nc(NCC(=O)[O-])n1	ZINC000329067235	571326656	/nfs/dbraw/zinc/32/66/56/571326656.db2.gz	YGQYBKMMVMJKEF-UHFFFAOYSA-N	-1	0	364.340	1.633	40	30		FDEBRM
N#CC1=C([O-])NC(N2CCN(c3ccccn3)CC2)=NC12CCCCCC2	ZINC000010385642	518535926	/nfs/dbraw/zinc/53/59/26/518535926.db2.gz	PTMIDTNVYQRTPB-INIZCTEOSA-N	-1	0	366.469	1.922	40	30		FDEBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)s1	ZINC000223103729	521230796	/nfs/dbraw/zinc/23/07/96/521230796.db2.gz	LGMQRUZDZFUGOD-UHFFFAOYSA-N	-1	0	351.413	1.753	40	30		FDEBRM
C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)N/C(=N/[O-])c1nonc1N	ZINC000059381680	522337320	/nfs/dbraw/zinc/33/73/20/522337320.db2.gz	HKDNREBZAWAJMY-ZCFIWIBFSA-N	-1	0	355.742	1.439	40	30		FDEBRM
CC[C@@H](CN1CCOCC1)OC([O-])=NS(=O)(=O)c1ccc(C)cc1	ZINC000016611337	522527160	/nfs/dbraw/zinc/52/71/60/522527160.db2.gz	OHJKKHXGLZIELD-AWEZNQCLSA-N	-1	0	356.444	1.725	40	30		FDEBRM
CCOC(=O)CC[C@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000005424267	207099771	/nfs/dbraw/zinc/09/97/71/207099771.db2.gz	OJMMHEYXOMAEAO-NSHDSACASA-N	-1	0	365.769	1.902	40	30		FDEBRM
C=CCOc1c(Br)cc(CN=Nc2nnn[n-]2)cc1OC	ZINC000006793305	207166366	/nfs/dbraw/zinc/16/63/66/207166366.db2.gz	GTMLHWBRMDCZRG-VGOFMYFVSA-N	-1	0	353.180	1.982	40	30		FDEBRM
Nc1nnnn1/N=C\c1cc(Br)c([O-])c(Br)c1	ZINC000035189325	208120051	/nfs/dbraw/zinc/12/00/51/208120051.db2.gz	RURYNVWYULHYCX-BASWHVEKSA-N	-1	0	361.985	1.368	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1	ZINC000101300554	209222853	/nfs/dbraw/zinc/22/28/53/209222853.db2.gz	NEIDVMYZTQKEHG-OXLCNLPBSA-N	-1	0	353.400	1.341	40	30		FDEBRM
CCCCCCCCn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000002027620	206899682	/nfs/dbraw/zinc/89/96/82/206899682.db2.gz	HICCMMKETSNJMG-UHFFFAOYSA-N	-1	0	368.459	1.961	40	30		FDEBRM
O=C([O-])[C@@H](CS)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O	ZINC000040388233	208249290	/nfs/dbraw/zinc/24/92/90/208249290.db2.gz	ZWUSELPTOBRVTR-CYBMUJFWSA-N	-1	0	367.390	1.662	40	30		FDEBRM
Cc1cc(C)nc(-n2ncc(C#N)c2[N-]S(=O)(=O)c2ccccc2)n1	ZINC000010382154	518535464	/nfs/dbraw/zinc/53/54/64/518535464.db2.gz	OWUUSVDEHXORRC-UHFFFAOYSA-N	-1	0	354.395	1.952	40	30		FDEBRM
CC[C@H](CN1CCOCC1)OC([O-])=NS(=O)(=O)c1ccc(C)cc1	ZINC000016611339	522171003	/nfs/dbraw/zinc/17/10/03/522171003.db2.gz	OHJKKHXGLZIELD-CQSZACIVSA-N	-1	0	356.444	1.725	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)nn1	ZINC000408532528	570512592	/nfs/dbraw/zinc/51/25/92/570512592.db2.gz	IHWPZQLFSJUKDI-LBPRGKRZSA-N	-1	0	353.338	1.395	40	30		FDEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)c1	ZINC000408531315	570512717	/nfs/dbraw/zinc/51/27/17/570512717.db2.gz	GRHIJSLVENNQPT-MXDDHBLUSA-N	-1	0	352.350	1.560	40	30		FDEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)cc1	ZINC000408537358	570519531	/nfs/dbraw/zinc/51/95/31/570519531.db2.gz	VMADKPNRYDVZAY-SKCQWOFPSA-N	-1	0	352.350	1.560	40	30		FDEBRM
C=N[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1	ZINC000007997960	206802288	/nfs/dbraw/zinc/80/22/88/206802288.db2.gz	FZECHKJQHUVANE-OZTPJHRESA-N	-1	0	361.423	1.060	40	30	in-vitro	FDEBRM
CC(C)(C)C(=O)ON1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)[O-])C1	ZINC000012359346	207365258	/nfs/dbraw/zinc/36/52/58/207365258.db2.gz	LCSRJDYJFIWKSV-AWEZNQCLSA-N	-1	0	364.398	1.898	40	30		FDEBRM
CC(C)NC(=O)[N-]S(=O)(=O)c1cnccc1Nc1cccc(CO)c1	ZINC000034303655	208102891	/nfs/dbraw/zinc/10/28/91/208102891.db2.gz	WCYVLAMJCQZUCR-UHFFFAOYSA-N	-1	0	364.427	1.918	40	30	world	FDEBRM
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccccn2)cc1C(=O)[O-]	ZINC000036720469	208172761	/nfs/dbraw/zinc/17/27/61/208172761.db2.gz	DRWSPXVOHKJRDV-RQZCQDPDSA-N	-1	0	362.367	1.051	40	30		FDEBRM
C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](CO)C(=O)[O-])C1=O	ZINC000005373768	518343092	/nfs/dbraw/zinc/34/30/92/518343092.db2.gz	RSGQXMJBEMTGSU-LFTLCWSBSA-N	-1	0	365.432	1.898	40	30		FDEBRM
Nc1nnnn1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000005510889	518347671	/nfs/dbraw/zinc/34/76/71/518347671.db2.gz	GJFKWUVDGQVUKQ-KGVSQERTSA-N	-1	0	361.985	1.368	40	30		FDEBRM
COc1ccc(S(=O)(=O)N/N=C\c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000005496254	525017762	/nfs/dbraw/zinc/01/77/62/525017762.db2.gz	AKNZPQJWRNKNMU-DHDCSXOGSA-N	-1	0	351.340	1.621	40	30		FDEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(OC)nn3)C2=O)c1	ZINC000408536896	570518339	/nfs/dbraw/zinc/51/83/39/570518339.db2.gz	TUUCOJZRZHJLOI-LBPRGKRZSA-N	-1	0	369.337	1.095	40	30		FDEBRM
COc1cc(O)c2c(c1)CCCC(=O)C(O)=C([O-])CCC[C@H](C)OC2=O	ZINC000003982130	518282947	/nfs/dbraw/zinc/28/29/47/518282947.db2.gz	QXPNJMHRUZCEAP-OVOCMQAOSA-N	-1	0	364.394	1.520	40	30	biogenic,in-vitro	FDEBRM
COc1cc(/C=N\N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc(OC)c1OC	ZINC000013547912	518660819	/nfs/dbraw/zinc/66/08/19/518660819.db2.gz	GRZBITUAWOJSNW-FQKZPNAISA-N	-1	0	367.383	1.109	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F	ZINC000101306146	525220134	/nfs/dbraw/zinc/22/01/34/525220134.db2.gz	GUPZKKGCESETDN-LWPKIGSASA-N	-1	0	353.400	1.341	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1	ZINC000101301004	209222687	/nfs/dbraw/zinc/22/26/87/209222687.db2.gz	LLAANVIEEMIHIU-AAGTZJIKSA-N	-1	0	369.855	1.855	40	30		FDEBRM
C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)N/C(=N/[O-])c1nonc1N	ZINC000059381679	522336393	/nfs/dbraw/zinc/33/63/93/522336393.db2.gz	HKDNREBZAWAJMY-LURJTMIESA-N	-1	0	355.742	1.439	40	30		FDEBRM
CS[C@@H]1C(C(=O)c2ccco2)C(=CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716361	522544973	/nfs/dbraw/zinc/54/49/73/522544973.db2.gz	LHFKOOCPCXVHBS-BMLIUANNSA-N	-1	0	365.407	1.944	40	30		FDEBRM
C#CCOc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000144163475	524377664	/nfs/dbraw/zinc/37/76/64/524377664.db2.gz	BOHAWKMQEPRHJW-UXBLZVDNSA-N	-1	0	351.156	1.650	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F	ZINC000101306147	525219952	/nfs/dbraw/zinc/21/99/52/525219952.db2.gz	GUPZKKGCESETDN-DRYFDLRVSA-N	-1	0	353.400	1.341	40	30		FDEBRM
C=CCN1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)NC1=S	ZINC000408901796	570695989	/nfs/dbraw/zinc/69/59/89/570695989.db2.gz	CKTYWYYHUZVBJJ-LFGHMXSPSA-N	-1	0	368.418	1.381	40	30		FDEBRM
CON=C(C(=O)[O-])c1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1	ZINC000255973870	571148003	/nfs/dbraw/zinc/14/80/03/571148003.db2.gz	GGQBZAQDZRIQNC-ZETCQYMHSA-N	-1	0	372.403	1.430	40	30		FDEBRM
COC(=O)/C(=N\[O-])[C@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccccc1C	ZINC000102980877	209245633	/nfs/dbraw/zinc/24/56/33/209245633.db2.gz	KMLZUNUPNDWMJH-HGVMIPIXSA-N	-1	0	360.366	1.657	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F	ZINC000101309542	209223994	/nfs/dbraw/zinc/22/39/94/209223994.db2.gz	ATEOVWAMRRYFRX-BMIAZUDFSA-N	-1	0	371.390	1.480	40	30		FDEBRM
CS[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716240	522545535	/nfs/dbraw/zinc/54/55/35/522545535.db2.gz	NBULVBRLSFDZBI-HNNXBMFYSA-N	-1	0	350.352	1.710	40	30		FDEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(OC)nn3)C2=O)cc1	ZINC000408536476	570519993	/nfs/dbraw/zinc/51/99/93/570519993.db2.gz	ROLFSEXOTDYFBU-LBPRGKRZSA-N	-1	0	369.337	1.095	40	30		FDEBRM
CO/N=C(\C(=O)[O-])c1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1	ZINC000022116348	211340442	/nfs/dbraw/zinc/34/04/42/211340442.db2.gz	GGQBZAQDZRIQNC-QLSOXSIMSA-N	-1	0	372.403	1.430	40	30		FDEBRM
O=C([O-])C[C@H]1C[C@@H](O)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104226217	222352574	/nfs/dbraw/zinc/35/25/74/222352574.db2.gz	ZJMDADJFELHGPA-MYRBKQMUSA-N	-1	0	352.303	1.907	40	30		FDEBRM
NS(=O)(=O)c1ccc(NC(=S)N[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000005741146	518353605	/nfs/dbraw/zinc/35/36/05/518353605.db2.gz	LDKNESVHONOUJK-ZDUSSCGKSA-N	-1	0	365.436	1.858	40	30		FDEBRM
CC(C)(C)OC(=O)N=C(N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000005714248	518354119	/nfs/dbraw/zinc/35/41/19/518354119.db2.gz	OQWAHTOOZRMPBJ-JTQLQIEISA-N	-1	0	374.438	1.584	40	30		FDEBRM
C=CCNC(=S)N=Cc1c(C(=O)OCC)[n-]n(-c2ccccc2)c1=O	ZINC000016958457	211174060	/nfs/dbraw/zinc/17/40/60/211174060.db2.gz	HZRVHYWGNAKBHL-ACCUITESSA-N	-1	0	358.423	1.898	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)nn1	ZINC000408537063	570518794	/nfs/dbraw/zinc/51/87/94/570518794.db2.gz	ULZSUUAHZXMADL-SECBINFHSA-N	-1	0	357.301	1.226	40	30		FDEBRM
C#CCOc1c(CC=C)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000409074314	570719939	/nfs/dbraw/zinc/71/99/39/570719939.db2.gz	ZAQCICXPZZNNRI-UHFFFAOYSA-N	-1	0	354.362	1.575	40	30		FDEBRM
CC1CCN(CC(=O)N=C2C=CC(=S(=O)([O-])NC3CC3)C=C2)CC1	ZINC000409415998	570759198	/nfs/dbraw/zinc/75/91/98/570759198.db2.gz	SLHIZFXVBKJEDP-UHFFFAOYSA-N	-1	0	351.472	1.409	40	30		FDEBRM
CC/N=C1\S/C(=C2/c3ccccc3N(CC(=O)[O-])C2=O)C(=O)N1CC	ZINC000005552176	210626830	/nfs/dbraw/zinc/62/68/30/210626830.db2.gz	DHCJOVBZDMHVFB-ZHBRIHKXSA-N	-1	0	359.407	1.800	40	30		FDEBRM
NC(=O)c1ccccc1N=Nc1c(=O)n(C(N)=S)[n-]c1-c1ccccc1	ZINC000100423253	222243972	/nfs/dbraw/zinc/24/39/72/222243972.db2.gz	PQPXPLSMBSSGGC-STZFKDTASA-N	-1	0	366.406	1.044	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1	ZINC000101300545	222268079	/nfs/dbraw/zinc/26/80/79/222268079.db2.gz	NEIDVMYZTQKEHG-LWPKIGSASA-N	-1	0	353.400	1.341	40	30		FDEBRM
C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](CO)C(=O)[O-])C1=O	ZINC000005373770	210105875	/nfs/dbraw/zinc/10/58/75/210105875.db2.gz	RSGQXMJBEMTGSU-JYVXZMADSA-N	-1	0	365.432	1.898	40	30		FDEBRM
C=CCC1(OC(C)=O)Cc2c([O-])c(O)c(n2OC(=O)c2ccccc2)C1	ZINC000017126720	211180924	/nfs/dbraw/zinc/18/09/24/211180924.db2.gz	HJHJIHHVMPTNQS-RTHVDDQRSA-N	-1	0	357.362	1.621	40	30		FDEBRM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	ZINC000101310853	222268669	/nfs/dbraw/zinc/26/86/69/222268669.db2.gz	FPBUTPVYOILURQ-IYSAKQGKSA-N	-1	0	368.436	1.153	40	30		FDEBRM
C=CCc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1OC	ZINC000008109944	518454588	/nfs/dbraw/zinc/45/45/88/518454588.db2.gz	UUKNSAWIKWSYRJ-VOTSOKGWSA-N	-1	0	359.338	1.888	40	30		FDEBRM
CC1CCC2(CC1)N=C(N1CCN(c3ccccn3)CC1)NC([O-])=C2C#N	ZINC000010385556	518535554	/nfs/dbraw/zinc/53/55/54/518535554.db2.gz	GRMWZLKLGPGWRL-LFDOHDQPSA-N	-1	0	366.469	1.778	40	30		FDEBRM
CS[C@H]1C(C(=O)c2ccco2)C(=CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716362	522544578	/nfs/dbraw/zinc/54/45/78/522544578.db2.gz	LHFKOOCPCXVHBS-QGHHPUGFSA-N	-1	0	365.407	1.944	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)nn1	ZINC000408532524	570512676	/nfs/dbraw/zinc/51/26/76/570512676.db2.gz	IHWPZQLFSJUKDI-GFCCVEGCSA-N	-1	0	353.338	1.395	40	30		FDEBRM
N#Cc1c(F)cccc1Nc1cc(-c2ccccn2)nc(NCC(=O)[O-])n1	ZINC000329047235	210133263	/nfs/dbraw/zinc/13/32/63/210133263.db2.gz	UFQOPCPTGYGKDC-UHFFFAOYSA-N	-1	0	364.340	1.633	40	30		FDEBRM
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2nccs2)c(O)c2ccccc21	ZINC000100353756	222241536	/nfs/dbraw/zinc/24/15/36/222241536.db2.gz	QDYCATYTUJHSHE-UHFFFAOYSA-N	-1	0	368.378	1.003	40	30		FDEBRM
N#C[C@@]1(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218153490	537462133	/nfs/dbraw/zinc/46/21/33/537462133.db2.gz	VAPVFMKTNSXPFG-XYJFISCASA-N	-1	0	371.370	1.950	40	30		FDEBRM
C=CCOC(=O)[C@H]1[C@H](c2ccc(O)c(OC)c2)c2c([nH][nH]c2=O)C[C@@]1(C)O	ZINC000004908838	210105852	/nfs/dbraw/zinc/10/58/52/210105852.db2.gz	GJBZMWJRRQBNBZ-IDHHARJASA-N	-1	0	374.393	1.614	40	30		FDEBRM
COc1cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc(OC)c1OC	ZINC000013547910	211039353	/nfs/dbraw/zinc/03/93/53/211039353.db2.gz	GRZBITUAWOJSNW-CRZGJZTJSA-N	-1	0	367.383	1.109	40	30		FDEBRM
O=C([O-])C[C@H]1C[C@@H](O)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005495678	210624637	/nfs/dbraw/zinc/62/46/37/210624637.db2.gz	ZJMDADJFELHGPA-LCTKXIDRSA-N	-1	0	352.303	1.907	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl	ZINC000101299212	222267324	/nfs/dbraw/zinc/26/73/24/222267324.db2.gz	ONAPRZMAZYXQKB-LWPKIGSASA-N	-1	0	369.855	1.855	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1	ZINC000101301008	222267922	/nfs/dbraw/zinc/26/79/22/222267922.db2.gz	LLAANVIEEMIHIU-LWPKIGSASA-N	-1	0	369.855	1.855	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)nn1	ZINC000408537069	570518776	/nfs/dbraw/zinc/51/87/76/570518776.db2.gz	ULZSUUAHZXMADL-VIFPVBQESA-N	-1	0	357.301	1.226	40	30		FDEBRM
COc1cc(O)c2c(c1)CCCC(=O)C(O)=C([O-])CCC[C@H](C)OC2=O	ZINC000585660628	952936380	/nfs/dbraw/zinc/93/63/80/952936380.db2.gz	QXPNJMHRUZCEAP-BKGUAONASA-N	-1	0	364.394	1.520	40	30	biogenic,in-vitro	FDEBRM
O=C([O-])C[C@@H]1S/C(=N/N=C\c2cccc(Br)c2)NC1=O	ZINC000005427963	518345004	/nfs/dbraw/zinc/34/50/04/518345004.db2.gz	IOACTLFRMUOGPE-VYJZUSIPSA-N	-1	0	356.201	1.845	40	30		FDEBRM
O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccoc1)C(Cl)(Cl)Cl	ZINC000005906541	518359646	/nfs/dbraw/zinc/35/96/46/518359646.db2.gz	WZEBFUVXSLZWBF-VITGAMORSA-N	-1	0	373.645	1.351	40	30		FDEBRM
CSC1C(C(=O)C(F)(F)F)=C(CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716405	522545682	/nfs/dbraw/zinc/54/56/82/522545682.db2.gz	VIMZLNMUGPOZJN-FUXBKTLASA-N	-1	0	367.345	1.599	40	30		FDEBRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(C#N)C(=O)[O-]	ZINC000218200888	537460545	/nfs/dbraw/zinc/46/05/45/537460545.db2.gz	FXRSRHPQFTZITO-NQBHXWOUSA-N	-1	0	358.213	1.944	40	30		FDEBRM
Cc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(S(=O)(=O)[O-])c2)cc1	ZINC000035943843	211647250	/nfs/dbraw/zinc/64/72/50/211647250.db2.gz	XNPJSJUFYCECCL-DHDCSXOGSA-N	-1	0	370.408	1.260	40	30		FDEBRM
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)N[C@](C)(CO)CCO	ZINC000101153890	222263768	/nfs/dbraw/zinc/26/37/68/222263768.db2.gz	WLSXLPWQIHDWEH-RDELFYGPSA-N	-1	0	360.410	1.054	40	30		FDEBRM
COC(=O)/C(=N/[O-])[C@@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccccc1C	ZINC000104291763	222353759	/nfs/dbraw/zinc/35/37/59/222353759.db2.gz	KMLZUNUPNDWMJH-DUHXBFFASA-N	-1	0	360.366	1.657	40	30		FDEBRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(C#N)C(=O)[O-]	ZINC000218200968	537460922	/nfs/dbraw/zinc/46/09/22/537460922.db2.gz	FXRSRHPQFTZITO-NTZNESFSSA-N	-1	0	358.213	1.944	40	30		FDEBRM
O=C(Nc1ccc(F)cc1)C([O-])=C([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000001626680	219413863	/nfs/dbraw/zinc/41/38/63/219413863.db2.gz	LLFJYBIJNREACE-UKRRQHHQSA-N	-1	0	358.281	1.890	40	30		FDEBRM
COc1cc(O)c2c(c1)CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O	ZINC000100091176	222236223	/nfs/dbraw/zinc/23/62/23/222236223.db2.gz	NEQZWEXWOFPKOT-ULSULSEOSA-N	-1	0	362.378	1.600	40	30	in-vitro	FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F	ZINC000101309547	222268335	/nfs/dbraw/zinc/26/83/35/222268335.db2.gz	ATEOVWAMRRYFRX-XVHVMQSESA-N	-1	0	371.390	1.480	40	30		FDEBRM
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1Cl	ZINC000408592181	263477454	/nfs/dbraw/zinc/47/74/54/263477454.db2.gz	LKNBQMFILRZXSA-IZZDOVSWSA-N	-1	0	369.160	1.983	40	30		FDEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccn2)C1=O	ZINC000408537332	570519187	/nfs/dbraw/zinc/51/91/87/570519187.db2.gz	VIPWOKPKJSFPTI-JFENUBAZSA-N	-1	0	352.350	1.560	40	30		FDEBRM
CC(=O)[N-]S(=O)(=O)c1ccc(CCNC(=O)c2cnc(C)cn2)cc1	ZINC000077287043	221600448	/nfs/dbraw/zinc/60/04/48/221600448.db2.gz	GGMCTFPPRDWMAP-UHFFFAOYSA-N	-1	0	362.411	1.423	40	30	in-vitro	FDEBRM
COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(C(C)=O)c1)=C([O-])C=C(C)C	ZINC000102942775	222315370	/nfs/dbraw/zinc/31/53/70/222315370.db2.gz	FZRZDRPTHIRIJC-HNNXBMFYSA-N	-1	0	373.361	1.290	40	30		FDEBRM
CCOC(=O)NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000004945729	518321864	/nfs/dbraw/zinc/32/18/64/518321864.db2.gz	IEQHYZWHKGGXDR-UHFFFAOYSA-N	-1	0	353.381	1.532	40	30		FDEBRM
CC(CCn1[n-]c(=O)ccc1=O)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005546242	518347719	/nfs/dbraw/zinc/34/77/19/518347719.db2.gz	BIPFPNMXWSKNLN-OQLLNIDSSA-N	-1	0	362.302	1.231	40	30		FDEBRM
COc1cc(/C=N\NS(=O)(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000038200468	522008722	/nfs/dbraw/zinc/00/87/22/522008722.db2.gz	KMNCOBUKHIXZSN-SXGWCWSVSA-N	-1	0	365.367	1.930	40	30		FDEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccn3)C2=O)c1	ZINC000408531310	570512707	/nfs/dbraw/zinc/51/27/07/570512707.db2.gz	GRHIJSLVENNQPT-BKQORJHRSA-N	-1	0	352.350	1.560	40	30		FDEBRM
COc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000001581984	518233353	/nfs/dbraw/zinc/23/33/53/518233353.db2.gz	DFOYMPGCMOGNON-OQLLNIDSSA-N	-1	0	351.340	1.621	40	30		FDEBRM
O=C(Nc1ccc(F)cc1)C([O-])=C([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000001626679	518233909	/nfs/dbraw/zinc/23/39/09/518233909.db2.gz	LLFJYBIJNREACE-HIFRSBDPSA-N	-1	0	358.281	1.890	40	30		FDEBRM
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000001758577	518234577	/nfs/dbraw/zinc/23/45/77/518234577.db2.gz	VLVJIQLQZUBUMO-RIYZIHGNSA-N	-1	0	366.311	1.521	40	30		FDEBRM
C[C@H](Oc1cccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1)C(=O)[O-]	ZINC000409345556	570752931	/nfs/dbraw/zinc/75/29/31/570752931.db2.gz	MBMKEKOFEARGLZ-NSHDSACASA-N	-1	0	353.334	1.836	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1	ZINC000101317315	222268381	/nfs/dbraw/zinc/26/83/81/222268381.db2.gz	WQXHAVTUEONYMW-DRYFDLRVSA-N	-1	0	369.855	1.855	40	30		FDEBRM
O=C([O-])C[C@@H]1S/C(=N/N=C\c2ccc(Br)cc2)NC1=O	ZINC000009189445	518499426	/nfs/dbraw/zinc/49/94/26/518499426.db2.gz	BWOUJPRBGHSJCP-VYJZUSIPSA-N	-1	0	356.201	1.845	40	30		FDEBRM
C=CCOc1cccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000224973613	519058640	/nfs/dbraw/zinc/05/86/40/519058640.db2.gz	DNIPWUKUBNFUSL-UHFFFAOYSA-N	-1	0	354.413	1.862	40	30		FDEBRM
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000408593325	570573967	/nfs/dbraw/zinc/57/39/67/570573967.db2.gz	PHFBNGTYLSLRPF-IZZDOVSWSA-N	-1	0	364.741	1.338	40	30		FDEBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(C#N)cc1	ZINC000009259809	219877000	/nfs/dbraw/zinc/87/70/00/219877000.db2.gz	TWHCRAJOLRCAIX-LZYBPNLTSA-N	-1	0	364.361	1.943	40	30		FDEBRM
COC(=O)/C(=N/[O-])[C@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccccc1C	ZINC000104291758	222354622	/nfs/dbraw/zinc/35/46/22/222354622.db2.gz	KMLZUNUPNDWMJH-SPPQWUQUSA-N	-1	0	360.366	1.657	40	30		FDEBRM
CCc1nnc(NN=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])n1N	ZINC000038169730	519633056	/nfs/dbraw/zinc/63/30/56/519633056.db2.gz	CWTWVYQNOOYKGK-LHHJGKSTSA-N	-1	0	370.167	1.377	40	30		FDEBRM
CCNC(=S)N/N=C/c1cc(Br)ccc1OCC(=O)[O-]	ZINC000107665062	525904340	/nfs/dbraw/zinc/90/43/40/525904340.db2.gz	YJEWMCVKBNTFSF-GIDUJCDVSA-N	-1	0	360.233	1.730	40	30		FDEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccn2)C1=O	ZINC000408537335	570519298	/nfs/dbraw/zinc/51/92/98/570519298.db2.gz	VIPWOKPKJSFPTI-MDBUFAAASA-N	-1	0	352.350	1.560	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1	ZINC000101317316	222268953	/nfs/dbraw/zinc/26/89/53/222268953.db2.gz	WQXHAVTUEONYMW-OXLCNLPBSA-N	-1	0	369.855	1.855	40	30		FDEBRM
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000005741156	518353639	/nfs/dbraw/zinc/35/36/39/518353639.db2.gz	LDKNESVHONOUJK-CYBMUJFWSA-N	-1	0	365.436	1.858	40	30		FDEBRM
Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])n1N	ZINC000038178709	519632753	/nfs/dbraw/zinc/63/27/53/519632753.db2.gz	DQMRJVBVAGYQOH-YIXHJXPBSA-N	-1	0	356.140	1.123	40	30		FDEBRM
CSC1C(C(=O)C(F)(F)F)=C(CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716404	522544881	/nfs/dbraw/zinc/54/48/81/522544881.db2.gz	VIMZLNMUGPOZJN-CPFSXVBKSA-N	-1	0	367.345	1.599	40	30		FDEBRM
C=CC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	ZINC000225773132	537560152	/nfs/dbraw/zinc/56/01/52/537560152.db2.gz	HUSLBLRHOKXECD-UHFFFAOYSA-N	-1	0	358.832	1.908	40	30		FDEBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)nn1	ZINC000408533777	570514802	/nfs/dbraw/zinc/51/48/02/570514802.db2.gz	KSHTZQJTKRZVDX-SNVBAGLBSA-N	-1	0	369.337	1.095	40	30		FDEBRM
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000057588738	221091374	/nfs/dbraw/zinc/09/13/74/221091374.db2.gz	KMNCOBUKHIXZSN-CXUHLZMHSA-N	-1	0	365.367	1.930	40	30		FDEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1	ZINC000101301015	222267501	/nfs/dbraw/zinc/26/75/01/222267501.db2.gz	LLAANVIEEMIHIU-OXLCNLPBSA-N	-1	0	369.855	1.855	40	30		FDEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218153431	537461429	/nfs/dbraw/zinc/46/14/29/537461429.db2.gz	VAPVFMKTNSXPFG-BQFCYCMXSA-N	-1	0	371.370	1.950	40	30		FDEBRM
COc1cccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1OCC(=O)[O-]	ZINC000409366920	570753786	/nfs/dbraw/zinc/75/37/86/570753786.db2.gz	XLUPJFBWWVWMBR-UHFFFAOYSA-N	-1	0	369.333	1.456	40	30		FDEBRM
COCc1cc(C)n(CC(=O)Nc2cccc(C(=O)[O-])c2)c(=O)c1C#N	ZINC000409411847	571319567	/nfs/dbraw/zinc/31/95/67/571319567.db2.gz	MDIUVVXWTKFIKN-UHFFFAOYSA-N	-1	0	355.350	1.512	40	30		FDEBRM
O=C(Nc1ccc(F)cc1)C([O-])=C([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000001626681	219413936	/nfs/dbraw/zinc/41/39/36/219413936.db2.gz	LLFJYBIJNREACE-ZFWWWQNUSA-N	-1	0	358.281	1.890	40	30		FDEBRM
C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1	ZINC000003874216	518280051	/nfs/dbraw/zinc/28/00/51/518280051.db2.gz	FZECHKJQHUVANE-MCYUEQNJSA-N	-1	0	361.423	1.060	40	30	world	FDEBRM
O=c1[n-]c(=O)c(NN=C2c3ccccc3-c3nc4ccccc4nc32)n[nH]1	ZINC000012561822	518621732	/nfs/dbraw/zinc/62/17/32/518621732.db2.gz	GRIOJWWZWBQIPD-HYARGMPZSA-N	-1	0	357.333	1.246	40	30		FDEBRM