smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)c(C(=O)OC)c1C	ZINC000048559312	530668747	/nfs/dbraw/zinc/66/87/47/530668747.db2.gz	ZPUKOONBZUVTFQ-POYBYMJQSA-N	-1	0	375.424	1.931	50	30		GDEARM
COc1cc(/C=N/N=C2/S[C@H](CC(=O)[O-])C(=O)N2C)cc(OC)c1OC	ZINC000004323555	204038068	/nfs/dbraw/zinc/03/80/68/204038068.db2.gz	QPKPUFOJVQNUAR-ZKEAVCOBSA-N	-1	0	381.410	1.451	50	30		GDEARM
O=C(C=Cc1ccc2c(c1)OCO2)c1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O	ZINC000009138066	204299393	/nfs/dbraw/zinc/29/93/93/204299393.db2.gz	QJSJQCYXBMCDCC-SOFGYWHQSA-N	-1	0	378.340	1.856	50	30		GDEARM
C/C(=N\c1ncn(Cc2ccccc2Cl)n1)c1c([O-])[nH]c(=O)sc1=O	ZINC000095101223	518474103	/nfs/dbraw/zinc/47/41/03/518474103.db2.gz	GMXAXPMCAHHREW-QGMBQPNBSA-N	-1	0	377.813	1.936	50	30		GDEARM
COc1ccc(C=NNC2=N[C@@H](CC(=O)Nc3ccccc3F)C([O-])=N2)cc1	ZINC000071279427	523443015	/nfs/dbraw/zinc/44/30/15/523443015.db2.gz	LLERUNDVKJODQU-XYHOIZSOSA-N	-1	0	383.383	1.641	50	30		GDEARM
COc1ccc(NC(=O)C[C@H]2N=C(NN=Cc3ccccc3O)N=C2[O-])cc1	ZINC000071285629	524523392	/nfs/dbraw/zinc/52/33/92/524523392.db2.gz	WOSWPRONBDNAHU-PZUDMAOCSA-N	-1	0	381.392	1.208	50	30		GDEARM
N#Cc1c(N)n([N-]S(=O)(=O)c2ccccc2)c(=O)c(C#N)c1-c1ccccc1	ZINC000136468942	570594613	/nfs/dbraw/zinc/59/46/13/570594613.db2.gz	HWTDRWXLBLCDME-UHFFFAOYSA-N	-1	0	391.412	1.773	50	30		GDEARM
COC(=O)c1cccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c1	ZINC000101597148	570827156	/nfs/dbraw/zinc/82/71/56/570827156.db2.gz	XIPMPOCUPHZZLP-UFFVCSGVSA-N	-1	0	383.335	1.908	50	30		GDEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(I)o2)NC1=O	ZINC000002253285	530531892	/nfs/dbraw/zinc/53/18/92/530531892.db2.gz	UVFVYSPWBKMGSK-YZXZPUIHSA-N	-1	0	393.162	1.280	50	30		GDEARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(I)cc1	ZINC000252460988	531091397	/nfs/dbraw/zinc/09/13/97/531091397.db2.gz	JRLWBVWHAGQTDZ-UHFFFAOYSA-N	-1	0	387.206	1.521	50	30		GDEARM
CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc4c(cc3C#N)OCO4)cc21	ZINC000004148038	204029382	/nfs/dbraw/zinc/02/93/82/204029382.db2.gz	WYBUBFMIXYHULK-UHFFFAOYSA-N	-1	0	385.401	1.997	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1	ZINC000005516023	204137660	/nfs/dbraw/zinc/13/76/60/204137660.db2.gz	RXPYKQHMYVQWJP-ZSPRGJAKSA-N	-1	0	386.426	1.292	50	30		GDEARM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)s1	ZINC000058067139	519669090	/nfs/dbraw/zinc/66/90/90/519669090.db2.gz	ZRIFGFAHZOJGNQ-UHFFFAOYSA-N	-1	0	377.447	1.992	50	30		GDEARM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1	ZINC000225743219	526749409	/nfs/dbraw/zinc/74/94/09/526749409.db2.gz	PKMITUCHJYJHHL-UHFFFAOYSA-N	-1	0	391.470	1.743	50	30		GDEARM
COC(=O)c1ccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1	ZINC000101649179	570828764	/nfs/dbraw/zinc/82/87/64/570828764.db2.gz	KSAMJQDXZCTJGH-UFFVCSGVSA-N	-1	0	383.335	1.908	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccccc3OC)C2)c(=O)[nH]c1=O	ZINC000101764801	519152224	/nfs/dbraw/zinc/15/22/24/519152224.db2.gz	LSQRYXNLNKKTHR-CQSZACIVSA-N	-1	0	398.419	1.525	50	30		GDEARM
N#CCCN1CCN(C2=NC(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)S2)CC1	ZINC000001838354	570436867	/nfs/dbraw/zinc/43/68/67/570436867.db2.gz	ORBBTLDLIQZVFS-RVDMUPIBSA-N	-1	0	387.421	1.802	50	30		GDEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCCCOC)c1=O	ZINC000170624604	570880616	/nfs/dbraw/zinc/88/06/16/570880616.db2.gz	HDFZOLXHIXIHAD-UHFFFAOYSA-N	-1	0	376.409	1.677	50	30		GDEARM
N#Cc1nccnc1N1CCC(C[N-]S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000206605265	231029519	/nfs/dbraw/zinc/02/95/19/231029519.db2.gz	OZBFFQQQRJEKOS-UHFFFAOYSA-N	-1	0	393.419	1.821	50	30		GDEARM
COc1cc([N+](=O)[O-])cc(/C=N/NC2=NS(=O)(=O)c3ccccc32)c1[O-]	ZINC000002848652	203968866	/nfs/dbraw/zinc/96/88/66/203968866.db2.gz	VPZFHVNFMKBJDA-LZYBPNLTSA-N	-1	0	376.350	1.382	50	30		GDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	ZINC000005489712	204136156	/nfs/dbraw/zinc/13/61/56/204136156.db2.gz	CBUFSKLAOUSFDV-SDGVZRARSA-N	-1	0	382.463	1.543	50	30		GDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	ZINC000005489709	204136614	/nfs/dbraw/zinc/13/66/14/204136614.db2.gz	CBUFSKLAOUSFDV-FGQLKYCASA-N	-1	0	382.463	1.543	50	30		GDEARM
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1/C(=N\[O-])c1nonc1N	ZINC000008715921	204285788	/nfs/dbraw/zinc/28/57/88/204285788.db2.gz	SDSJDSAJMMOELC-LGHLNYQVSA-N	-1	0	395.807	1.948	50	30		GDEARM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)[C@@H]1CCCN1c1nc3ccccc3o1)C2	ZINC000225683757	206067037	/nfs/dbraw/zinc/06/70/37/206067037.db2.gz	RAOVJIVYBZLYBP-KRWDZBQOSA-N	-1	0	389.415	1.941	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1	ZINC000101306447	527571754	/nfs/dbraw/zinc/57/17/54/527571754.db2.gz	WJJKQCBCCKRZSX-MSPKJWORSA-N	-1	0	382.463	1.148	50	30		GDEARM
C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1/C(=N\[O-])c1nonc1N	ZINC000016609561	570928955	/nfs/dbraw/zinc/92/89/55/570928955.db2.gz	NNRKAJUUXFMTHC-SNSLFBDCSA-N	-1	0	381.780	1.560	50	30		GDEARM
COC(=O)c1sc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)c(C(=O)OC)c1C	ZINC000048559318	530668871	/nfs/dbraw/zinc/66/88/71/530668871.db2.gz	ZPUKOONBZUVTFQ-HTRCEHHLSA-N	-1	0	375.424	1.931	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1	ZINC000005307126	204124131	/nfs/dbraw/zinc/12/41/31/204124131.db2.gz	WJJKQCBCCKRZSX-SDGVZRARSA-N	-1	0	382.463	1.148	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C	ZINC000005516142	204137298	/nfs/dbraw/zinc/13/72/98/204137298.db2.gz	LSLMRKMLBAVUBU-LKXWOGMASA-N	-1	0	396.490	1.770	50	30		GDEARM
C=CCn1c(SCC(=O)[O-])nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	ZINC000072328130	519228671	/nfs/dbraw/zinc/22/86/71/519228671.db2.gz	DRPDEGBRUQLISV-ZDUSSCGKSA-N	-1	0	392.437	1.113	50	30		GDEARM
CC(=O)Nc1cccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccccc3)N=C2[O-])c1	ZINC000071285404	519742387	/nfs/dbraw/zinc/74/23/87/519742387.db2.gz	VEWLLNUBUZXYFM-RHLNUJDMSA-N	-1	0	392.419	1.452	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1c(F)cccc1F	ZINC000071287499	527139530	/nfs/dbraw/zinc/13/95/30/527139530.db2.gz	HAYHIBVFFYKSHC-UWPAOYMWSA-N	-1	0	387.346	1.477	50	30		GDEARM
O=C([O-])COc1ccccc1C=NN1C(=S)NNC1=C1N=NC2=C1CCC2	ZINC000009328484	527619789	/nfs/dbraw/zinc/61/97/89/527619789.db2.gz	DPQNHYAVHGZKNP-QGMBQPNBSA-N	-1	0	384.421	1.791	50	30		GDEARM
O=c1nncc(NN=Cc2cc(Br)cc(Br)c2[O-])[nH]1	ZINC000003947095	204022845	/nfs/dbraw/zinc/02/28/45/204022845.db2.gz	FVCOPBZGBSIXLM-QLKAYGNNSA-N	-1	0	389.007	1.842	50	30		GDEARM
COc1ccc([C@@H]2SCC(=O)N2/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000004181796	204031275	/nfs/dbraw/zinc/03/12/75/204031275.db2.gz	BZXFDCQZGGBAJN-YGRLFVJLSA-N	-1	0	381.435	1.247	50	30		GDEARM
Cc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000005516168	204137279	/nfs/dbraw/zinc/13/72/79/204137279.db2.gz	FUQJMLPIRTXVCY-LKXWOGMASA-N	-1	0	396.490	1.851	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F	ZINC000005516569	204138042	/nfs/dbraw/zinc/13/80/42/204138042.db2.gz	AFXWRROZXQSVPQ-ZSPRGJAKSA-N	-1	0	386.426	1.292	50	30		GDEARM
C=CCN(C(=O)CCC(=O)[O-])[C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O	ZINC000020064671	203782519	/nfs/dbraw/zinc/78/25/19/203782519.db2.gz	WBZMBZDTVBIDTI-INIZCTEOSA-N	-1	0	388.420	1.987	50	30		GDEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1	ZINC000006659672	204189024	/nfs/dbraw/zinc/18/90/24/204189024.db2.gz	FSSCBOFIXVJFHW-QLTQQZPISA-N	-1	0	383.882	1.851	50	30		GDEARM
C=CCN1C(=O)[N-]C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	ZINC000100768095	205066900	/nfs/dbraw/zinc/06/69/00/205066900.db2.gz	KZGGDGPZCHYGDN-SDNWHVSQSA-N	-1	0	381.392	1.045	50	30		GDEARM
C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)NC1=S	ZINC000009311197	518831380	/nfs/dbraw/zinc/83/13/80/518831380.db2.gz	ZQUBNJHGDARLJT-UITAMQMPSA-N	-1	0	378.322	1.021	50	30		GDEARM
CCOC(=O)C1=NO[C@@H](Cc2c(/C=N/[O-])c3c(c(OC)c2OC)OCO3)C1	ZINC000015086069	520545510	/nfs/dbraw/zinc/54/55/10/520545510.db2.gz	WYXLRFQUZOZVMJ-LLADZKGESA-N	-1	0	380.353	1.491	50	30		GDEARM
COc1ccccc1NC(=O)C[C@H]1N=C(NN=Cc2ccc(F)cc2)N=C1[O-]	ZINC000071287213	524601935	/nfs/dbraw/zinc/60/19/35/524601935.db2.gz	LMVBQBHBEGDQET-UGVMZYNRSA-N	-1	0	383.383	1.641	50	30		GDEARM
COc1ccc(OC)c(S(=O)(=O)N/N=C(\C)c2c([O-])cc(C)oc2=O)c1	ZINC000017078060	524874784	/nfs/dbraw/zinc/87/47/84/524874784.db2.gz	VLTXISADGIYOPF-LICLKQGHSA-N	-1	0	382.394	1.374	50	30		GDEARM
NC1=NN(c2ccccc2)C(=O)C1=N[N-]c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000100843324	527138487	/nfs/dbraw/zinc/13/84/87/527138487.db2.gz	OORTWONFPMQVPE-HMMYKYKNSA-N	-1	0	382.336	1.453	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1ccc(F)c(F)c1	ZINC000071284854	527181394	/nfs/dbraw/zinc/18/13/94/527181394.db2.gz	CHHVWLVSLZJYMR-MNPVBQOISA-N	-1	0	387.346	1.477	50	30		GDEARM
CCOC(=O)N=S(=O)([O-])c1ccc(CCNC(=O)c2cc(C)on2)cc1	ZINC000000722260	570220357	/nfs/dbraw/zinc/22/03/57/570220357.db2.gz	SKRIVAJIZWOSKR-UHFFFAOYSA-N	-1	0	381.410	1.595	50	30		GDEARM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(S(C)(=O)=O)ncc1Cl	ZINC000005317920	570433947	/nfs/dbraw/zinc/43/39/47/570433947.db2.gz	WEVWLZGTBRBACK-SECBINFHSA-N	-1	0	389.824	1.910	50	30		GDEARM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@]2(O)C(=O)OC)cc1	ZINC000005799603	570693059	/nfs/dbraw/zinc/69/30/59/570693059.db2.gz	YEJDBLFJCDGHQA-OAQYLSRUSA-N	-1	0	397.383	1.989	50	30		GDEARM
Nn1cnnc1N=NCc1cc(Br)cc(Br)c1[O-]	ZINC000004187678	204031622	/nfs/dbraw/zinc/03/16/22/204031622.db2.gz	BEBIODKFBNRMEG-QLKAYGNNSA-N	-1	0	376.012	1.669	50	30		GDEARM
COc1cccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccc(O)cc3)N=C2[O-])c1	ZINC000071284417	526182510	/nfs/dbraw/zinc/18/25/10/526182510.db2.gz	RZRLKKIOMPZTHY-YODDIOPGSA-N	-1	0	381.392	1.208	50	30		GDEARM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC(=O)NCCC(C)C	ZINC000017223504	570702147	/nfs/dbraw/zinc/70/21/47/570702147.db2.gz	OVMJQIJLXYPMAH-UHFFFAOYSA-N	-1	0	390.440	1.211	50	30		GDEARM
COc1ccc(Br)cc1/C=N/N=C1/NC(=O)[C@H](CC(=O)[O-])S1	ZINC000002918269	530533126	/nfs/dbraw/zinc/53/31/26/530533126.db2.gz	BQSJNBLHAQOFRH-JFEKIERCSA-N	-1	0	386.227	1.854	50	30		GDEARM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000005389717	204130854	/nfs/dbraw/zinc/13/08/54/204130854.db2.gz	BUBUUNFEPMMWNW-NERIXLHVSA-N	-1	0	396.490	1.457	50	30		GDEARM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005485769	204135715	/nfs/dbraw/zinc/13/57/15/204135715.db2.gz	OHZRKQBKOZZWKX-YQTDRKPDSA-N	-1	0	396.490	1.770	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000005515984	204137898	/nfs/dbraw/zinc/13/78/98/204137898.db2.gz	DQKWHGDPAYCWFO-FGQLKYCASA-N	-1	0	382.463	1.461	50	30		GDEARM
C[C@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000042308721	205079881	/nfs/dbraw/zinc/07/98/81/205079881.db2.gz	ULLWBUCMICOEOS-NSHDSACASA-N	-1	0	377.447	1.384	50	30		GDEARM
N#Cc1nccnc1O[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1	ZINC000225805464	206077932	/nfs/dbraw/zinc/07/79/32/206077932.db2.gz	HRPKOHAAAPUEKT-JTQLQIEISA-N	-1	0	392.368	1.028	50	30		GDEARM
C=CCn1c(=O)c2ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc2[n-]c1=S	ZINC000032740892	519197103	/nfs/dbraw/zinc/19/71/03/519197103.db2.gz	QTUZHCKBBAJNKZ-UHFFFAOYSA-N	-1	0	388.493	1.858	50	30		GDEARM
COC(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1	ZINC000018068742	522922732	/nfs/dbraw/zinc/92/27/32/522922732.db2.gz	KQOIDTJOIHWDQJ-FBMGVBCBSA-N	-1	0	384.414	1.616	50	30		GDEARM
COc1cccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccccc3OC)N=C2[O-])c1	ZINC000071283048	526181697	/nfs/dbraw/zinc/18/16/97/526181697.db2.gz	ASWZVRNWQOCVAW-GKXUUXLPSA-N	-1	0	395.419	1.511	50	30		GDEARM
CC(=NOCC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2	ZINC000252475104	570964224	/nfs/dbraw/zinc/96/42/24/570964224.db2.gz	SQQPXYJVCXVKGO-UHFFFAOYSA-N	-1	0	376.390	1.661	50	30		GDEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)CS[C@H]2CCS(=O)(=O)C2)cc1C	ZINC000048473865	530668669	/nfs/dbraw/zinc/66/86/69/530668669.db2.gz	BIIZAIUYRVXRIJ-LBPRGKRZSA-N	-1	0	377.509	1.869	50	30		GDEARM
CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)NC1=O)CCCCC2	ZINC000100772771	521375560	/nfs/dbraw/zinc/37/55/60/521375560.db2.gz	NYUKTSHXTNWOKZ-QGMBQPNBSA-N	-1	0	377.422	1.878	50	30		GDEARM
COc1ccccc1C=NNC1=N[C@@H](CC(=O)Nc2ccccc2OC)C([O-])=N1	ZINC000071287965	524323607	/nfs/dbraw/zinc/32/36/07/524323607.db2.gz	SJPDSNXWVFVQBS-NGZBARDMSA-N	-1	0	395.419	1.511	50	30		GDEARM
COc1ccc(S(=O)(=O)N(C)C(C)(C)C#N)c([N-]S(=O)(=O)C(F)F)c1	ZINC000095944009	530817598	/nfs/dbraw/zinc/81/75/98/530817598.db2.gz	KLKIQNIRTPNALV-UHFFFAOYSA-N	-1	0	397.425	1.582	50	30		GDEARM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005372996	204129062	/nfs/dbraw/zinc/12/90/62/204129062.db2.gz	XHKPOVXZQQQNEJ-SDGVZRARSA-N	-1	0	398.462	1.161	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F	ZINC000005516571	204137852	/nfs/dbraw/zinc/13/78/52/204137852.db2.gz	AFXWRROZXQSVPQ-XURMGJQESA-N	-1	0	386.426	1.292	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C)[C@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101767403	519153036	/nfs/dbraw/zinc/15/30/36/519153036.db2.gz	BHMMWGABGOHRAP-ZDUSSCGKSA-N	-1	0	386.408	1.226	50	30		GDEARM
COC(=O)c1ccccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccccc2)N=C1[O-]	ZINC000072401236	522275590	/nfs/dbraw/zinc/27/55/90/522275590.db2.gz	VOFBFSGPNBGYJY-GKXUUXLPSA-N	-1	0	393.403	1.280	50	30		GDEARM
COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(N=[N+]=[N-])n1	ZINC000013763555	522287313	/nfs/dbraw/zinc/28/73/13/522287313.db2.gz	MLXMAFMOMAXHBE-UHFFFAOYSA-N	-1	0	392.357	1.623	50	30		GDEARM
N#Cc1cc(F)ccc1NC(=O)C[C@H]1N=C(NN=Cc2ccccc2O)N=C1[O-]	ZINC000071286156	526560297	/nfs/dbraw/zinc/56/02/97/526560297.db2.gz	DKFGMBHJNSNOHB-WPZNHYQYSA-N	-1	0	394.366	1.210	50	30		GDEARM
COc1ccc([O-])c(C(=O)c2cnc3c(C#N)c(N4CCOCC4)nn3c2)c1	ZINC000014139664	570293239	/nfs/dbraw/zinc/29/32/39/570293239.db2.gz	LVTFZQBOXOUMJX-UHFFFAOYSA-N	-1	0	379.376	1.383	50	30		GDEARM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000170617190	570875980	/nfs/dbraw/zinc/87/59/80/570875980.db2.gz	HLFCZYKQOGRWQV-DVOMOZLQSA-N	-1	0	396.465	1.605	50	30		GDEARM
Cc1cccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005370098	204128703	/nfs/dbraw/zinc/12/87/03/204128703.db2.gz	QHHDSFQRQODTSD-LKXWOGMASA-N	-1	0	396.490	1.851	50	30		GDEARM
COC(=O)C(C#N)=NNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000002134122	522739107	/nfs/dbraw/zinc/73/91/07/522739107.db2.gz	LBSAONYBCSVGGG-STZFKDTASA-N	-1	0	388.409	1.359	50	30		GDEARM
COc1ccccc1C(=O)NCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000006607524	524350808	/nfs/dbraw/zinc/35/08/08/524350808.db2.gz	SZNBEXGBPNGPNL-CYBMUJFWSA-N	-1	0	387.417	1.610	50	30		GDEARM
COc1cc(/C(C)=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc(OC)c1OC	ZINC000004558040	204053421	/nfs/dbraw/zinc/05/34/21/204053421.db2.gz	DKFSJRHWNMDTRU-MEBUONCMSA-N	-1	0	381.410	1.499	50	30	biogenic,in-vitro	GDEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl	ZINC000006659685	204189126	/nfs/dbraw/zinc/18/91/26/204189126.db2.gz	UBTMIXLDSJMPLK-WFDFJMSYSA-N	-1	0	383.882	1.851	50	30		GDEARM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COCC(F)(F)F)cc1C(F)(F)F	ZINC000069571258	205276374	/nfs/dbraw/zinc/27/63/74/205276374.db2.gz	SZFFNDWSSHVIOV-UHFFFAOYSA-N	-1	0	390.261	1.961	50	30		GDEARM
CCOC(=O)C1=NO[C@@H](Cc2c(/C=N\[O-])c(OC)c3c(c2OC)OCO3)C1	ZINC000014951140	520545815	/nfs/dbraw/zinc/54/58/15/520545815.db2.gz	ALCAHDBRJAAPKI-OQTYBLBQSA-N	-1	0	380.353	1.491	50	30		GDEARM
C=CCn1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)nn1	ZINC000649245640	975385535	/nfs/dbraw/zinc/38/55/35/975385535.db2.gz	NZFMKEGTCZHCJS-MRXNPFEDSA-N	-1	0	383.408	1.796	50	30		GDEARM
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1Br	ZINC000006646899	204188282	/nfs/dbraw/zinc/18/82/82/204188282.db2.gz	HSBRJAVXCZNOMO-UWJMNNEMSA-N	-1	0	386.227	1.854	50	30		GDEARM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000017919007	204614590	/nfs/dbraw/zinc/61/45/90/204614590.db2.gz	BUBUUNFEPMMWNW-IKZORZIJSA-N	-1	0	396.490	1.457	50	30		GDEARM
Cc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000042304900	205080195	/nfs/dbraw/zinc/08/01/95/205080195.db2.gz	UDMKYEJRDQGWRC-UHFFFAOYSA-N	-1	0	378.431	1.389	50	30		GDEARM
C=CCN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(OC)c2)C(=O)NC1=S	ZINC000013810491	518831416	/nfs/dbraw/zinc/83/14/16/518831416.db2.gz	NWARFNUBBGEPCP-XFFZJAGNSA-N	-1	0	376.390	1.812	50	30		GDEARM
C=CCn1c(SCC(=O)[O-])nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	ZINC000072328131	519229415	/nfs/dbraw/zinc/22/94/15/519229415.db2.gz	DRPDEGBRUQLISV-CYBMUJFWSA-N	-1	0	392.437	1.113	50	30		GDEARM
COc1ccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccc(O)cc3)N=C2[O-])cc1	ZINC000071282599	524519446	/nfs/dbraw/zinc/51/94/46/524519446.db2.gz	ZKEQBMFYXMACMY-YODDIOPGSA-N	-1	0	381.392	1.208	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1cccc(Cl)c1	ZINC000071288417	527182040	/nfs/dbraw/zinc/18/20/40/527182040.db2.gz	ARGBHJQFQITZBN-DGURAOSJSA-N	-1	0	385.811	1.852	50	30		GDEARM
C=CCN1C(=O)/C(=C\c2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000012343735	570236723	/nfs/dbraw/zinc/23/67/23/570236723.db2.gz	AIASNBRHADCFPM-PTNGSMBKSA-N	-1	0	381.413	1.988	50	30		GDEARM
C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(OCC)c2)C(=O)NC1=S	ZINC000012362868	570237052	/nfs/dbraw/zinc/23/70/52/570237052.db2.gz	CZNWOJIUBLJNHG-WQLSENKSSA-N	-1	0	390.417	1.361	50	30		GDEARM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccccc1C(=O)[O-]	ZINC000018200400	570809050	/nfs/dbraw/zinc/80/90/50/570809050.db2.gz	FJERGOJSNYPBNS-CYBMUJFWSA-N	-1	0	381.388	1.962	50	30		GDEARM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005490143	204136452	/nfs/dbraw/zinc/13/64/52/204136452.db2.gz	SNKVUXSWSCACJA-NERIXLHVSA-N	-1	0	396.490	1.770	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101455819	519152597	/nfs/dbraw/zinc/15/25/97/519152597.db2.gz	KQRLSNWXFUMKSL-AWEZNQCLSA-N	-1	0	399.363	1.034	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O	ZINC000101456059	519153343	/nfs/dbraw/zinc/15/33/43/519153343.db2.gz	OVUBPYJLLPQUET-AWEZNQCLSA-N	-1	0	388.811	1.779	50	30		GDEARM
Cc1n[n-]c(=NN=Cc2ccc(O)cc2O)nc1NN=Cc1ccc(O)cc1O	ZINC000027994440	526352814	/nfs/dbraw/zinc/35/28/14/526352814.db2.gz	IYGOPJBALDPNSF-PQEHHWQQSA-N	-1	0	395.379	1.894	50	30		GDEARM
Cc1ccc(S(=O)(=O)[N-]NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002690734	570295488	/nfs/dbraw/zinc/29/54/88/570295488.db2.gz	UWNKLLXTAXKEPU-UHFFFAOYSA-N	-1	0	394.434	1.812	50	30		GDEARM
C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)NC1(C#N)CCCCC1	ZINC000005574691	204141123	/nfs/dbraw/zinc/14/11/23/204141123.db2.gz	HOIWEZOLUKFBLZ-ZDUSSCGKSA-N	-1	0	393.465	1.946	50	30		GDEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1	ZINC000006659540	204188655	/nfs/dbraw/zinc/18/86/55/204188655.db2.gz	RCCBJMJEXCKFMM-RRPDAFEBSA-N	-1	0	387.845	1.994	50	30		GDEARM
COc1ccccc1-c1cc(C(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)[nH]n1	ZINC000225683373	206067307	/nfs/dbraw/zinc/06/73/07/206067307.db2.gz	SYINYXWALUAYHU-UHFFFAOYSA-N	-1	0	375.388	1.844	50	30		GDEARM
CN(C(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O)C1(C#N)CCCCC1	ZINC000005575653	523830101	/nfs/dbraw/zinc/83/01/01/523830101.db2.gz	CBNPEZVWLFXSHP-UHFFFAOYSA-N	-1	0	393.465	1.900	50	30		GDEARM
COc1ccccc1NC(=O)C[C@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-]	ZINC000071288083	524603250	/nfs/dbraw/zinc/60/32/50/524603250.db2.gz	SLXHBLQMLGYYQJ-PZUDMAOCSA-N	-1	0	381.392	1.208	50	30		GDEARM
C[C@]12C[C@H](O)[C@@H]3[C@@]4(C)C=CC(=O)C=C4CC[C@@]3(C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)[O-]	ZINC000087492659	570557479	/nfs/dbraw/zinc/55/74/79/570557479.db2.gz	TYMJARQFIGZKJV-CCIMGODBSA-N	-1	0	376.449	1.442	50	30		GDEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1	ZINC000006659545	530542048	/nfs/dbraw/zinc/54/20/48/530542048.db2.gz	RCCBJMJEXCKFMM-GERDJBSHSA-N	-1	0	387.845	1.994	50	30		GDEARM
COc1ccccc1C(=O)NCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000006607521	524350879	/nfs/dbraw/zinc/35/08/79/524350879.db2.gz	SZNBEXGBPNGPNL-ZDUSSCGKSA-N	-1	0	387.417	1.610	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1ccc(F)c(F)c1	ZINC000071287768	527140160	/nfs/dbraw/zinc/14/01/60/527140160.db2.gz	YNTQXZRIPRVXNV-SLSPDHCBSA-N	-1	0	387.346	1.477	50	30		GDEARM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1	ZINC000072309934	570537804	/nfs/dbraw/zinc/53/78/04/570537804.db2.gz	YWDVISYHVMAEOS-AWEZNQCLSA-N	-1	0	396.465	1.435	50	30		GDEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1	ZINC000006659546	530542099	/nfs/dbraw/zinc/54/20/99/530542099.db2.gz	RCCBJMJEXCKFMM-ONYLCFQQSA-N	-1	0	387.845	1.994	50	30		GDEARM
C=CCN1C(=O)/C(=C\c2cc(OC)c(O)cc2Br)C(=O)NC1=S	ZINC000004723868	206227702	/nfs/dbraw/zinc/22/77/02/206227702.db2.gz	ABDDKGWSTDPHPZ-UITAMQMPSA-N	-1	0	397.250	1.976	50	30		GDEARM
Cc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@H]3CCS(=O)(=O)C3)c2[O-])cc1	ZINC000016806496	207078501	/nfs/dbraw/zinc/07/85/01/207078501.db2.gz	BTFKCAXOPYNPBL-AWEZNQCLSA-N	-1	0	386.429	1.633	50	30		GDEARM
N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1N	ZINC000170610553	208752669	/nfs/dbraw/zinc/75/26/69/208752669.db2.gz	QTVCHJVKHPOXGE-UHFFFAOYSA-N	-1	0	393.379	1.589	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=O	ZINC000101456274	519152477	/nfs/dbraw/zinc/15/24/77/519152477.db2.gz	WETFJXHMTYVGRI-HNNXBMFYSA-N	-1	0	384.392	1.134	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccccc3OCC)C2)c(=O)[nH]c1=O	ZINC000101456852	519152961	/nfs/dbraw/zinc/15/29/61/519152961.db2.gz	ATHOZOQNFQFBKW-HNNXBMFYSA-N	-1	0	398.419	1.525	50	30		GDEARM
N#Cc1cc(F)ccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-]	ZINC000072401836	526560224	/nfs/dbraw/zinc/56/02/24/526560224.db2.gz	GRYMSJKSTRPDOA-CPHRPENTSA-N	-1	0	394.366	1.210	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccccc2)N=C1[O-])Nc1ccc2c(c1)OCCO2	ZINC000071284404	527182051	/nfs/dbraw/zinc/18/20/51/527182051.db2.gz	UJZKMIJMJPQZDN-VRCTWVPOSA-N	-1	0	393.403	1.265	50	30		GDEARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]NC(=S)NCCc2ccccc2)cc1	ZINC000002855537	527373813	/nfs/dbraw/zinc/37/38/13/527373813.db2.gz	KGQKFLZHOAOMLY-UHFFFAOYSA-N	-1	0	380.451	1.906	50	30		GDEARM
Cc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000005516167	570623549	/nfs/dbraw/zinc/62/35/49/570623549.db2.gz	FUQJMLPIRTXVCY-NERIXLHVSA-N	-1	0	396.490	1.851	50	30		GDEARM
COc1ccc(-n2c(=O)[nH]c([O-])c(C=Nc3cccc([N+](=O)[O-])c3)c2=O)cc1	ZINC000101589394	570826872	/nfs/dbraw/zinc/82/68/72/570826872.db2.gz	DLAZAZJDEVOITJ-VXLYETTFSA-N	-1	0	382.332	1.899	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000005515986	530539656	/nfs/dbraw/zinc/53/96/56/530539656.db2.gz	DQKWHGDPAYCWFO-SDGVZRARSA-N	-1	0	382.463	1.461	50	30		GDEARM
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000004278886	206227396	/nfs/dbraw/zinc/22/73/96/206227396.db2.gz	HQNQLUHAOGXVPG-ZDUSSCGKSA-N	-1	0	384.348	1.532	50	30		GDEARM
C=CCN(CC=C)C(=O)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013237763	518762720	/nfs/dbraw/zinc/76/27/20/518762720.db2.gz	BLRCBDOVSQFCRX-KRWDZBQOSA-N	-1	0	384.436	1.663	50	30		GDEARM
COc1ccc(OC)c(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)c1	ZINC000100006118	524843666	/nfs/dbraw/zinc/84/36/66/524843666.db2.gz	QUTFWUCASGNFCU-LTGZKZEYSA-N	-1	0	383.433	1.962	50	30		GDEARM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O	ZINC000105372168	525350684	/nfs/dbraw/zinc/35/06/84/525350684.db2.gz	HXNCOPXZMVYOSZ-WRRUKWTMSA-N	-1	0	375.421	1.843	50	30	biogenic	GDEARM
N#Cc1cc(F)ccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccccc2O)N=C1[O-]	ZINC000071286158	526560863	/nfs/dbraw/zinc/56/08/63/526560863.db2.gz	DKFGMBHJNSNOHB-GTQIFZCBSA-N	-1	0	394.366	1.210	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1ccc(F)c(F)c1	ZINC000071284855	527139798	/nfs/dbraw/zinc/13/97/98/527139798.db2.gz	CHHVWLVSLZJYMR-PZEXIZOFSA-N	-1	0	387.346	1.477	50	30		GDEARM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000095944811	530817738	/nfs/dbraw/zinc/81/77/38/530817738.db2.gz	MCKGKHDJURBCIV-LBPRGKRZSA-N	-1	0	380.451	1.320	50	30		GDEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101239043	206227710	/nfs/dbraw/zinc/22/77/10/206227710.db2.gz	JQBSAKVAABKOHW-LLVKDONJSA-N	-1	0	391.225	1.629	50	30		GDEARM
Cc1cccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005370096	206609379	/nfs/dbraw/zinc/60/93/79/206609379.db2.gz	QHHDSFQRQODTSD-NERIXLHVSA-N	-1	0	396.490	1.851	50	30		GDEARM
O=C([O-])c1ccccc1[C@@H]1C2=C(Nc3[nH]c(=O)[nH]c(=O)c31)c1ccccc1C2=O	ZINC000018201111	207094807	/nfs/dbraw/zinc/09/48/07/207094807.db2.gz	JRPDQHLGGSHMHN-CYBMUJFWSA-N	-1	0	387.351	1.926	50	30		GDEARM
COc1cc([N+](=O)[O-])cc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)c1[O-]	ZINC000027572679	522972821	/nfs/dbraw/zinc/97/28/21/522972821.db2.gz	QBIZQKOUFNJGFL-RQZCQDPDSA-N	-1	0	390.377	1.724	50	30		GDEARM
COc1ccc(C=NNC2=N[C@@H](CC(=O)Nc3ccccc3OC)C([O-])=N2)cc1	ZINC000071287098	523444519	/nfs/dbraw/zinc/44/45/19/523444519.db2.gz	BOACNFMLOFMREO-GKXUUXLPSA-N	-1	0	395.419	1.511	50	30		GDEARM
O=C(NCC#Cc1ccccc1)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2	ZINC000071890351	527546277	/nfs/dbraw/zinc/54/62/77/527546277.db2.gz	OBOAOTVYMGIXOT-UHFFFAOYSA-N	-1	0	379.401	1.163	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1	ZINC000101306450	527569502	/nfs/dbraw/zinc/56/95/02/527569502.db2.gz	WJJKQCBCCKRZSX-NOTNZGAASA-N	-1	0	382.463	1.148	50	30		GDEARM
C#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)c1	ZINC000022990195	570296851	/nfs/dbraw/zinc/29/68/51/570296851.db2.gz	NGYJTPPJDOTKAG-UHFFFAOYSA-N	-1	0	386.385	1.279	50	30		GDEARM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000170617192	570875906	/nfs/dbraw/zinc/87/59/06/570875906.db2.gz	HLFCZYKQOGRWQV-XJKCOSOUSA-N	-1	0	396.465	1.605	50	30		GDEARM
COc1ccc(Br)cc1/C=N/N=C1\NC(=O)[C@@H](CC(=O)[O-])S1	ZINC000004802343	530537459	/nfs/dbraw/zinc/53/74/59/530537459.db2.gz	BQSJNBLHAQOFRH-UWJMNNEMSA-N	-1	0	386.227	1.854	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)C2)c(=O)[nH]c1=O	ZINC000101763893	519152769	/nfs/dbraw/zinc/15/27/69/519152769.db2.gz	KGZWFHWUXQQZDS-INIZCTEOSA-N	-1	0	397.435	1.192	50	30		GDEARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br	ZINC000100150360	520889083	/nfs/dbraw/zinc/88/90/83/520889083.db2.gz	KEQZCOPOEWMALP-OQLLNIDSSA-N	-1	0	385.203	1.587	50	30		GDEARM
Cc1cccc(N2C[C@@H](C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)CC2=O)c1C	ZINC000060242182	524565040	/nfs/dbraw/zinc/56/50/40/524565040.db2.gz	XBEIWLDDSQHOHE-NSHDSACASA-N	-1	0	377.426	1.466	50	30		GDEARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=C3/NC(=O)CS3)cc2)n1	ZINC000013465552	524591846	/nfs/dbraw/zinc/59/18/46/524591846.db2.gz	XWIWLEXBOPAVKQ-UHFFFAOYSA-N	-1	0	377.451	1.745	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1cccc(Cl)c1	ZINC000071288265	527182320	/nfs/dbraw/zinc/18/23/20/527182320.db2.gz	XJDGFDAEWDIACS-IXJMWADBSA-N	-1	0	385.811	1.852	50	30		GDEARM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2	ZINC000594723389	652352232	/nfs/dbraw/zinc/35/22/32/652352232.db2.gz	NTLXGMGYHMWMCV-UHFFFAOYSA-N	-1	0	379.467	1.542	50	30		GDEARM
C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)NC1=S	ZINC000012343673	530555754	/nfs/dbraw/zinc/55/57/54/530555754.db2.gz	QZGPFYBHPFODDX-POHAHGRESA-N	-1	0	380.809	1.616	50	30		GDEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NC[C@H]2CCCO2)c1=O	ZINC000100643337	519261685	/nfs/dbraw/zinc/26/16/85/519261685.db2.gz	FJGKNGGVSBBMKR-GFCCVEGCSA-N	-1	0	388.420	1.819	50	30		GDEARM
Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000024101319	570378847	/nfs/dbraw/zinc/37/88/47/570378847.db2.gz	DJVVQJKASGUCRC-UHFFFAOYSA-N	-1	0	398.466	1.563	50	30		GDEARM
CCCCCCCCn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000001797197	570425400	/nfs/dbraw/zinc/42/54/00/570425400.db2.gz	NYAGVVNAXIPORM-UHFFFAOYSA-N	-1	0	382.486	1.971	50	30		GDEARM
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(OC)c(O)c1	ZINC000001889575	206248583	/nfs/dbraw/zinc/24/85/83/206248583.db2.gz	SNXIJJUIKPEWNN-CQSZACIVSA-N	-1	0	385.376	1.338	50	30		GDEARM
O=c1[nH]c2c3cc(F)ccc3[nH]c2c(=O)n1N=Cc1ccc(S(=O)(=O)[O-])o1	ZINC000008738137	206761711	/nfs/dbraw/zinc/76/17/11/206761711.db2.gz	FULPTORQBJQAKY-UBKPWBPPSA-N	-1	0	392.324	1.444	50	30		GDEARM
Cc1nc(=O)[n-]c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1C#N	ZINC000032776397	207406547	/nfs/dbraw/zinc/40/65/47/207406547.db2.gz	VAQKIPOWWWRTKK-JTQLQIEISA-N	-1	0	386.433	1.691	50	30		GDEARM
COC(=O)c1sccc1[N-]/N=C1\C(=O)c2sccc2N(C)S1(=O)=O	ZINC000013466179	522443210	/nfs/dbraw/zinc/44/32/10/522443210.db2.gz	ZSMOCLPARASHSX-NTCAYCPXSA-N	-1	0	385.448	1.984	50	30		GDEARM
COc1ccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccccc3O)N=C2[O-])cc1	ZINC000071285630	524519506	/nfs/dbraw/zinc/51/95/06/524519506.db2.gz	WOSWPRONBDNAHU-BBJIBYMTSA-N	-1	0	381.392	1.208	50	30		GDEARM
CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-c3ccccc3C#N)c2)CC1	ZINC000071759270	570283096	/nfs/dbraw/zinc/28/30/96/570283096.db2.gz	LNUZENBCGJZSOF-UHFFFAOYSA-N	-1	0	385.445	1.860	50	30		GDEARM
C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)NC1(C#N)CCCCC1	ZINC000005574705	570656740	/nfs/dbraw/zinc/65/67/40/570656740.db2.gz	HOIWEZOLUKFBLZ-CYBMUJFWSA-N	-1	0	393.465	1.946	50	30		GDEARM
C=CCSCC(=O)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1	ZINC000072309929	530806068	/nfs/dbraw/zinc/80/60/68/530806068.db2.gz	WMBPWBBXPFLSBF-UHFFFAOYSA-N	-1	0	384.479	1.373	50	30		GDEARM
Cc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000005488778	206614785	/nfs/dbraw/zinc/61/47/85/206614785.db2.gz	PASYZGPMWNMCDS-NERIXLHVSA-N	-1	0	396.490	1.851	50	30		GDEARM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005490137	206614871	/nfs/dbraw/zinc/61/48/71/206614871.db2.gz	SNKVUXSWSCACJA-YQTDRKPDSA-N	-1	0	396.490	1.770	50	30		GDEARM
COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc([N+](=O)[O-])c1[O-]	ZINC000018196048	207094832	/nfs/dbraw/zinc/09/48/32/207094832.db2.gz	OICUDOKGSOYICX-CQSZACIVSA-N	-1	0	386.368	1.954	50	30		GDEARM
O=C([O-])COc1ccccc1[C@@H]1c2c(=O)[nH]c(=O)[nH]c2NC2=C1C(=O)CCC2	ZINC000018199442	207094964	/nfs/dbraw/zinc/09/49/64/207094964.db2.gz	GUCOUJYPYOVEAB-AWEZNQCLSA-N	-1	0	383.360	1.091	50	30		GDEARM
Cc1cccc(N2C[C@H](C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)CC2=O)c1C	ZINC000060242181	524566867	/nfs/dbraw/zinc/56/68/67/524566867.db2.gz	XBEIWLDDSQHOHE-LLVKDONJSA-N	-1	0	377.426	1.466	50	30		GDEARM
N#CCCN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036359830	526460869	/nfs/dbraw/zinc/46/08/69/526460869.db2.gz	QOMQHNRXVKILMW-GOSISDBHSA-N	-1	0	388.399	1.522	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1	ZINC000005388977	570578862	/nfs/dbraw/zinc/57/88/62/570578862.db2.gz	CWFZNTBPBWWBRX-YQTDRKPDSA-N	-1	0	396.490	1.191	50	30		GDEARM
O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1CSCN1C(=O)c1ccccc1	ZINC000052794250	530687943	/nfs/dbraw/zinc/68/79/43/530687943.db2.gz	WMNXJPARSHGJMG-CQSZACIVSA-N	-1	0	383.495	1.889	50	30		GDEARM
COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000095972549	208248732	/nfs/dbraw/zinc/24/87/32/208248732.db2.gz	YTRHJKQOFRJFSE-UHFFFAOYSA-N	-1	0	385.199	1.631	50	30		GDEARM
CC/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000102442945	520178522	/nfs/dbraw/zinc/17/85/22/520178522.db2.gz	IZFOVMUIPWEHDT-KGENOOAVSA-N	-1	0	397.435	1.118	50	30		GDEARM
Cc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1C	ZINC000004486162	570806604	/nfs/dbraw/zinc/80/66/04/570806604.db2.gz	PSPFRARJZKVUAV-LKXWOGMASA-N	-1	0	396.490	1.770	50	30		GDEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl	ZINC000006659686	530542124	/nfs/dbraw/zinc/54/21/24/530542124.db2.gz	UBTMIXLDSJMPLK-PQKGRCELSA-N	-1	0	383.882	1.851	50	30		GDEARM
C=CCCOc1ccc(-c2nnc(CCC(=O)N3CCN(C)CC3)c(=O)[n-]2)cc1	ZINC000034764290	518708835	/nfs/dbraw/zinc/70/88/35/518708835.db2.gz	IFBBIMZBHNWOGC-UHFFFAOYSA-N	-1	0	397.479	1.906	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=O	ZINC000101764713	519151486	/nfs/dbraw/zinc/15/14/86/519151486.db2.gz	BWSIQCYSJQUZAF-OAHLLOKOSA-N	-1	0	398.419	1.525	50	30		GDEARM
N#Cc1ccc(-c2cc(N3CCN(C(=O)C4(C(=O)[O-])CCC4)CC3)n[nH]2)cc1	ZINC000595996603	953777408	/nfs/dbraw/zinc/77/74/08/953777408.db2.gz	FIOUWUYHCHKNKT-UHFFFAOYSA-N	-1	0	379.420	1.852	50	30		GDEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1	ZINC000006659537	530542081	/nfs/dbraw/zinc/54/20/81/530542081.db2.gz	RCCBJMJEXCKFMM-ZHCQSXIZSA-N	-1	0	387.845	1.994	50	30		GDEARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(I)cc1	ZINC000012413000	530555707	/nfs/dbraw/zinc/55/57/07/530555707.db2.gz	JRLWBVWHAGQTDZ-DHDCSXOGSA-N	-1	0	387.206	1.521	50	30		GDEARM
N#Cc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(C(N)=S)c1=O	ZINC000001879502	206393376	/nfs/dbraw/zinc/39/33/76/206393376.db2.gz	GMJXABWTVRKXFS-RCCKNPSSSA-N	-1	0	393.388	1.724	50	30		GDEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1	ZINC000020427506	207192323	/nfs/dbraw/zinc/19/23/23/207192323.db2.gz	LDZDREJMGJGBIO-UHFFFAOYSA-N	-1	0	386.393	1.580	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2)c(=O)[nH]c1=O	ZINC000101763897	519152413	/nfs/dbraw/zinc/15/24/13/519152413.db2.gz	KGZWFHWUXQQZDS-MRXNPFEDSA-N	-1	0	397.435	1.192	50	30		GDEARM
CC(=O)Nc1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cc1	ZINC000100507720	519720742	/nfs/dbraw/zinc/72/07/42/519720742.db2.gz	QCTJCOQJGJMBRL-CJLVFECKSA-N	-1	0	380.433	1.903	50	30		GDEARM
N=C(NN=Cc1ccccn1)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000027548586	526825823	/nfs/dbraw/zinc/82/58/23/526825823.db2.gz	OKGKKUQVEYDASY-MNUWJXFPSA-N	-1	0	397.416	1.703	50	30		GDEARM
C=CCN1C(=O)/C(=C\c2cc(OCC)c([O-])c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000002903863	570396903	/nfs/dbraw/zinc/39/69/03/570396903.db2.gz	YZTZINYAJIAFNH-POHAHGRESA-N	-1	0	377.378	1.512	50	30		GDEARM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(S(C)(=O)=O)ncc1Cl	ZINC000005317915	570434108	/nfs/dbraw/zinc/43/41/08/570434108.db2.gz	WEVWLZGTBRBACK-VIFPVBQESA-N	-1	0	389.824	1.910	50	30		GDEARM
Cc1cccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005370092	570565821	/nfs/dbraw/zinc/56/58/21/570565821.db2.gz	QHHDSFQRQODTSD-YQTDRKPDSA-N	-1	0	396.490	1.851	50	30		GDEARM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005373014	570568762	/nfs/dbraw/zinc/56/87/62/570568762.db2.gz	XHKPOVXZQQQNEJ-UXCNFHJLSA-N	-1	0	398.462	1.161	50	30		GDEARM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000170617191	570875978	/nfs/dbraw/zinc/87/59/78/570875978.db2.gz	HLFCZYKQOGRWQV-IOASZLSFSA-N	-1	0	396.465	1.605	50	30		GDEARM
Cc1nnc(N=NCc2cc(Br)cc(Br)c2[O-])n1N	ZINC000004405329	530536255	/nfs/dbraw/zinc/53/62/55/530536255.db2.gz	DHHNDJRPRZGGIK-LNKIKWGQSA-N	-1	0	390.039	1.977	50	30		GDEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101239042	206227120	/nfs/dbraw/zinc/22/71/20/206227120.db2.gz	JQBSAKVAABKOHW-NSHDSACASA-N	-1	0	391.225	1.629	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1	ZINC000005307129	206605555	/nfs/dbraw/zinc/60/55/55/206605555.db2.gz	WJJKQCBCCKRZSX-UXCNFHJLSA-N	-1	0	382.463	1.148	50	30		GDEARM
COc1ccc(C=NNC2=N[C@H](CC(=O)Nc3ccccc3F)C([O-])=N2)cc1	ZINC000071279426	523443591	/nfs/dbraw/zinc/44/35/91/523443591.db2.gz	LLERUNDVKJODQU-BTZNOAQDSA-N	-1	0	383.383	1.641	50	30		GDEARM
COc1ccccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccc(F)cc2)N=C1[O-]	ZINC000071287215	524602718	/nfs/dbraw/zinc/60/27/18/524602718.db2.gz	LMVBQBHBEGDQET-FPQGOQEYSA-N	-1	0	383.383	1.641	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1cccc(Cl)c1	ZINC000071288267	527140057	/nfs/dbraw/zinc/14/00/57/527140057.db2.gz	XJDGFDAEWDIACS-VYXQJKENSA-N	-1	0	385.811	1.852	50	30		GDEARM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000013135671	570748331	/nfs/dbraw/zinc/74/83/31/570748331.db2.gz	BUBUUNFEPMMWNW-YQTDRKPDSA-N	-1	0	396.490	1.457	50	30		GDEARM
COc1cc(NC(=O)CSc2[n-]c(=O)nc(C)c2C#N)cc(OC)c1OC	ZINC000032776374	570806941	/nfs/dbraw/zinc/80/69/41/570806941.db2.gz	SKJRCPAHFSTZLN-UHFFFAOYSA-N	-1	0	390.421	1.707	50	30		GDEARM
C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1/C(=N\[O-])c1nonc1N	ZINC000016609563	570928991	/nfs/dbraw/zinc/92/89/91/570928991.db2.gz	NNRKAJUUXFMTHC-ZRLUGEJMSA-N	-1	0	381.780	1.560	50	30		GDEARM
C=CCSc1nnc([N-]C(=O)c2nc(S(C)(=O)=O)ncc2Cl)s1	ZINC000008868121	530550470	/nfs/dbraw/zinc/55/04/70/530550470.db2.gz	JKAWMMSNOQJJOG-UHFFFAOYSA-N	-1	0	391.887	1.915	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1	ZINC000005307124	530538840	/nfs/dbraw/zinc/53/88/40/530538840.db2.gz	WJJKQCBCCKRZSX-DCFQSUQFSA-N	-1	0	382.463	1.148	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=O	ZINC000101764710	519152736	/nfs/dbraw/zinc/15/27/36/519152736.db2.gz	BWSIQCYSJQUZAF-HNNXBMFYSA-N	-1	0	398.419	1.525	50	30		GDEARM
CCOC(=O)C1=NO[C@H](Cc2c(/C=N\[O-])c(OC)c3c(c2OC)OCO3)C1	ZINC000014951146	520544456	/nfs/dbraw/zinc/54/44/56/520544456.db2.gz	ALCAHDBRJAAPKI-FLGMGOKFSA-N	-1	0	380.353	1.491	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1	ZINC000101306460	527569789	/nfs/dbraw/zinc/56/97/89/527569789.db2.gz	WJJKQCBCCKRZSX-AHIOURIWSA-N	-1	0	382.463	1.148	50	30		GDEARM
Cc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000005488767	570613808	/nfs/dbraw/zinc/61/38/08/570613808.db2.gz	PASYZGPMWNMCDS-YQTDRKPDSA-N	-1	0	396.490	1.851	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1	ZINC000005377076	530539074	/nfs/dbraw/zinc/53/90/74/530539074.db2.gz	VJTYNXQKMABQFE-XURMGJQESA-N	-1	0	386.426	1.292	50	30		GDEARM
Cc1ccc(S(=O)(=O)O/C=C(/C(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1	ZINC000002023401	206396431	/nfs/dbraw/zinc/39/64/31/206396431.db2.gz	ZJNYPOZWAHDUCN-GDNBJRDFSA-N	-1	0	387.369	1.923	50	30		GDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000020445006	207192653	/nfs/dbraw/zinc/19/26/53/207192653.db2.gz	YNYXOECITLAEJL-UXCNFHJLSA-N	-1	0	398.462	1.161	50	30		GDEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O	ZINC000082120954	208079670	/nfs/dbraw/zinc/07/96/70/208079670.db2.gz	QSHNBYMZTGIBSU-UHFFFAOYSA-N	-1	0	377.404	1.594	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=O	ZINC000101456275	519152555	/nfs/dbraw/zinc/15/25/55/519152555.db2.gz	WETFJXHMTYVGRI-OAHLLOKOSA-N	-1	0	384.392	1.134	50	30		GDEARM
NC(=S)N/N=C\c1cn(CCC(=O)[O-])nc1-c1cccc(Br)c1	ZINC000004491863	530535966	/nfs/dbraw/zinc/53/59/66/530535966.db2.gz	KICFKAPTQQSDOQ-IDUWFGFVSA-N	-1	0	396.270	1.954	50	30		GDEARM
COCCC1(C(=O)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000124943213	531001123	/nfs/dbraw/zinc/00/11/23/531001123.db2.gz	FQHXTVBUNRLLKE-UHFFFAOYSA-N	-1	0	387.255	1.942	50	30		GDEARM
N#Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)cc1	ZINC000013943296	207003567	/nfs/dbraw/zinc/00/35/67/207003567.db2.gz	OVTZYOPJMMMOQF-RCCKNPSSSA-N	-1	0	393.388	1.724	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C)[C@@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101767409	519153191	/nfs/dbraw/zinc/15/31/91/519153191.db2.gz	BHMMWGABGOHRAP-CYBMUJFWSA-N	-1	0	386.408	1.226	50	30		GDEARM
COc1ccccc1C=NNC1=N[C@H](CC(=O)Nc2ccccc2OC)C([O-])=N1	ZINC000071287963	524324156	/nfs/dbraw/zinc/32/41/56/524324156.db2.gz	SJPDSNXWVFVQBS-VRCTWVPOSA-N	-1	0	395.419	1.511	50	30		GDEARM
Cc1csc(C(C#N)=C([O-])COC(=O)Cc2n[nH]c(=O)c3ccccc23)n1	ZINC000007286886	526426565	/nfs/dbraw/zinc/42/65/65/526426565.db2.gz	ZAQNXCVATDPTSU-CYBMUJFWSA-N	-1	0	382.401	1.650	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccc(F)cc2)N=C1[O-])Nc1c(F)cccc1F	ZINC000071287373	527140132	/nfs/dbraw/zinc/14/01/32/527140132.db2.gz	JPCMBGJKMUIVHX-DKNGMTOASA-N	-1	0	389.337	1.911	50	30		GDEARM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N\OCC(=O)[O-])C[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O	ZINC000101790600	570283644	/nfs/dbraw/zinc/28/36/44/570283644.db2.gz	HXNCOPXZMVYOSZ-ITFZFLTASA-N	-1	0	375.421	1.843	50	30		GDEARM
Cc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000005516162	570623619	/nfs/dbraw/zinc/62/36/19/570623619.db2.gz	FUQJMLPIRTXVCY-YQTDRKPDSA-N	-1	0	396.490	1.851	50	30		GDEARM
Cc1cc(C)n(CCNC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)c1C#N	ZINC000013733275	570672970	/nfs/dbraw/zinc/67/29/70/570672970.db2.gz	GRAFVZXXVBQWAN-QGZVFWFLSA-N	-1	0	382.420	1.332	50	30		GDEARM
CCOC(=O)c1cc(C#N)c(N2CCN(c3ccc(OC)cc3)CC2)[n-]c1=O	ZINC000013597700	570761892	/nfs/dbraw/zinc/76/18/92/570761892.db2.gz	CLELQUUCWLPTPN-UHFFFAOYSA-N	-1	0	382.420	1.758	50	30		GDEARM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c1C#N	ZINC000576717227	651681346	/nfs/dbraw/zinc/68/13/46/651681346.db2.gz	BZKFJROANLFWIS-UHFFFAOYSA-N	-1	0	383.455	1.077	50	30		GDEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1	ZINC000006659674	530541925	/nfs/dbraw/zinc/54/19/25/530541925.db2.gz	FSSCBOFIXVJFHW-WFDFJMSYSA-N	-1	0	383.882	1.851	50	30		GDEARM
COc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1Br	ZINC000006646898	530541964	/nfs/dbraw/zinc/54/19/64/530541964.db2.gz	HSBRJAVXCZNOMO-JFEKIERCSA-N	-1	0	386.227	1.854	50	30		GDEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1	ZINC000006659673	530542042	/nfs/dbraw/zinc/54/20/42/530542042.db2.gz	FSSCBOFIXVJFHW-WWTZIWLLSA-N	-1	0	383.882	1.851	50	30		GDEARM
C[C@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000095944810	530817408	/nfs/dbraw/zinc/81/74/08/530817408.db2.gz	MCKGKHDJURBCIV-GFCCVEGCSA-N	-1	0	380.451	1.320	50	30		GDEARM
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC000096291462	209240035	/nfs/dbraw/zinc/24/00/35/209240035.db2.gz	VKDQZLXRNNVXTP-SREVYHEPSA-N	-1	0	376.415	1.925	50	30		GDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000020444992	210334579	/nfs/dbraw/zinc/33/45/79/210334579.db2.gz	YNYXOECITLAEJL-FGQLKYCASA-N	-1	0	398.462	1.161	50	30		GDEARM
O=C([O-])C[C@H]([NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002709111	518201459	/nfs/dbraw/zinc/20/14/59/518201459.db2.gz	QJFIMXKNKTZMBQ-PXAZEXFGSA-N	-1	0	384.388	1.314	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101456385	519151999	/nfs/dbraw/zinc/15/19/99/519151999.db2.gz	FVYUHVRAFMVFFP-CQSZACIVSA-N	-1	0	399.363	1.034	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1cccc(Cl)c1	ZINC000071288419	527139311	/nfs/dbraw/zinc/13/93/11/527139311.db2.gz	ARGBHJQFQITZBN-ANKPHQHTSA-N	-1	0	385.811	1.852	50	30		GDEARM
Cc1nn(C)c2[n-]c(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)cc(=O)c12	ZINC000072312535	570648530	/nfs/dbraw/zinc/64/85/30/570648530.db2.gz	IJZNJDOKPQXQCL-LLVKDONJSA-N	-1	0	379.376	1.626	50	30		GDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(I)o2)NC1=O	ZINC000005840722	530540159	/nfs/dbraw/zinc/54/01/59/530540159.db2.gz	UVFVYSPWBKMGSK-JSTDCQMXSA-N	-1	0	393.162	1.280	50	30		GDEARM
Cc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000005488781	209598632	/nfs/dbraw/zinc/59/86/32/209598632.db2.gz	PASYZGPMWNMCDS-LKXWOGMASA-N	-1	0	396.490	1.851	50	30		GDEARM
Cc1ccc(CN2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000005389720	209590919	/nfs/dbraw/zinc/59/09/19/209590919.db2.gz	BUBUUNFEPMMWNW-LKXWOGMASA-N	-1	0	396.490	1.457	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1	ZINC000005307120	209585426	/nfs/dbraw/zinc/58/54/26/209585426.db2.gz	WJJKQCBCCKRZSX-FGQLKYCASA-N	-1	0	382.463	1.148	50	30		GDEARM
O=C([O-])C[C@@H]([NH2+]C[C@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002709116	211516390	/nfs/dbraw/zinc/51/63/90/211516390.db2.gz	QJFIMXKNKTZMBQ-YVEFUNNKSA-N	-1	0	384.388	1.314	50	30		GDEARM
N=C(NN=Cc1ccco1)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000004017526	526825519	/nfs/dbraw/zinc/82/55/19/526825519.db2.gz	ZCHKFLYVEMBGOV-PFHXIJNMSA-N	-1	0	386.389	1.901	50	30		GDEARM
N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1	ZINC000013074618	210048780	/nfs/dbraw/zinc/04/87/80/210048780.db2.gz	FVEBQZAIBWXRHP-UHFFFAOYSA-N	-1	0	385.445	1.763	50	30		GDEARM
C=CCN1C(=O)C(=NNc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)[N-]C1=S	ZINC000101229119	211396515	/nfs/dbraw/zinc/39/65/15/211396515.db2.gz	JUUUFCZJAUFPRI-KGENOOAVSA-N	-1	0	398.448	1.093	50	30		GDEARM
Cc1nn(C)c(C)c1-c1cc(-c2cnc(NCC(=O)[O-])nc2)c(C#N)c(N)n1	ZINC000072127177	211071407	/nfs/dbraw/zinc/07/14/07/211071407.db2.gz	FGCSFNXFLSFWPN-UHFFFAOYSA-N	-1	0	378.396	1.506	50	30		GDEARM
COc1cccc(NC(=O)C[C@H]2N=C(NN=Cc3ccc(O)cc3)N=C2[O-])c1	ZINC000071284416	526182490	/nfs/dbraw/zinc/18/24/90/526182490.db2.gz	RZRLKKIOMPZTHY-MBTVCVBTSA-N	-1	0	381.392	1.208	50	30		GDEARM
N#Cc1nc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)[n-]c1C#N	ZINC000012544329	570844869	/nfs/dbraw/zinc/84/48/69/570844869.db2.gz	YAJCUVOUDRXCIQ-UHFFFAOYSA-N	-1	0	375.348	1.041	50	30		GDEARM
COc1ccc([C@@H]2SCC(=O)N2/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000004181794	530535206	/nfs/dbraw/zinc/53/52/06/530535206.db2.gz	BZXFDCQZGGBAJN-HZMBPMFUSA-N	-1	0	381.435	1.247	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1	ZINC000005516025	530539791	/nfs/dbraw/zinc/53/97/91/530539791.db2.gz	RXPYKQHMYVQWJP-XURMGJQESA-N	-1	0	386.426	1.292	50	30		GDEARM
CCCCNC(=O)N=S(=O)([O-])c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000040116160	530619067	/nfs/dbraw/zinc/61/90/67/530619067.db2.gz	CUKKZEOGPCRNQL-UHFFFAOYSA-N	-1	0	375.472	1.120	50	30		GDEARM
NC(=N[N+](=O)[O-])NN=Cc1cc(Br)cc(Br)c1[O-]	ZINC000001203520	209313877	/nfs/dbraw/zinc/31/38/77/209313877.db2.gz	RAQINXDCNBZXBF-KGVSQERTSA-N	-1	0	380.984	1.557	50	30		GDEARM
C=CCN1C(=O)/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000004622129	209137814	/nfs/dbraw/zinc/13/78/14/209137814.db2.gz	RWHRXYCLVQMLGZ-PTNGSMBKSA-N	-1	0	381.413	1.988	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)c(=O)[nH]c1=O	ZINC000101456799	519153276	/nfs/dbraw/zinc/15/32/76/519153276.db2.gz	FSGPESAFKLKHFY-CQSZACIVSA-N	-1	0	384.392	1.134	50	30		GDEARM
COc1ccc(C=NNC2=N[C@H](CC(=O)Nc3ccccc3OC)C([O-])=N2)cc1	ZINC000071287097	523443064	/nfs/dbraw/zinc/44/30/64/523443064.db2.gz	BOACNFMLOFMREO-SVZNOHIVSA-N	-1	0	395.419	1.511	50	30		GDEARM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N\OCC(=O)[O-])C[C@H]3[C@H]1C[C@@H](O)[C@@H]2O	ZINC000101790596	570283607	/nfs/dbraw/zinc/28/36/07/570283607.db2.gz	HXNCOPXZMVYOSZ-AHALWTTMSA-N	-1	0	375.421	1.843	50	30		GDEARM
C=CCn1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)nn1	ZINC000649245639	975385602	/nfs/dbraw/zinc/38/56/02/975385602.db2.gz	NZFMKEGTCZHCJS-INIZCTEOSA-N	-1	0	383.408	1.796	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1	ZINC000005377071	530538785	/nfs/dbraw/zinc/53/87/85/530538785.db2.gz	VJTYNXQKMABQFE-ZSPRGJAKSA-N	-1	0	386.426	1.292	50	30		GDEARM
Cc1ccc(S(=O)(=O)O/C=C(\C(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1	ZINC000002023396	209343694	/nfs/dbraw/zinc/34/36/94/209343694.db2.gz	ZJNYPOZWAHDUCN-XNTDXEJSSA-N	-1	0	387.369	1.923	50	30		GDEARM
N#Cc1cc(F)ccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccccc2)N=C1[O-]	ZINC000071284426	526560436	/nfs/dbraw/zinc/56/04/36/526560436.db2.gz	VIMODJIGSINARZ-RSFOSLOZSA-N	-1	0	378.367	1.504	50	30		GDEARM
C=CCOC(=O)NCCC[C@H](NC(C)=C1C(=O)CC(C)(C)CC1=O)C(=O)[O-]	ZINC000095495941	526684927	/nfs/dbraw/zinc/68/49/27/526684927.db2.gz	QWFVDANCRWFJOV-ZDUSSCGKSA-N	-1	0	380.441	1.954	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1c(F)cccc1F	ZINC000071287497	527181306	/nfs/dbraw/zinc/18/13/06/527181306.db2.gz	HAYHIBVFFYKSHC-FCQRQVBFSA-N	-1	0	387.346	1.477	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F	ZINC000005516572	530539910	/nfs/dbraw/zinc/53/99/10/530539910.db2.gz	AFXWRROZXQSVPQ-GXWWUJSJSA-N	-1	0	386.426	1.292	50	30		GDEARM
CC(=O)C(C(C)=O)=C1c2ccc(Br)cc2C(=O)C([O-])=C1[N+](=O)[O-]	ZINC000100712425	530823774	/nfs/dbraw/zinc/82/37/74/530823774.db2.gz	XDCAVHLBIIIFNI-UHFFFAOYSA-N	-1	0	380.150	1.997	50	30		GDEARM
Cc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000005488773	209598954	/nfs/dbraw/zinc/59/89/54/209598954.db2.gz	PASYZGPMWNMCDS-IKZORZIJSA-N	-1	0	396.490	1.851	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C	ZINC000005516140	570623573	/nfs/dbraw/zinc/62/35/73/570623573.db2.gz	LSLMRKMLBAVUBU-IKZORZIJSA-N	-1	0	396.490	1.770	50	30		GDEARM
COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1	ZINC000083897490	570977238	/nfs/dbraw/zinc/97/72/38/570977238.db2.gz	BZAIMEQAMPQKEY-UHFFFAOYSA-N	-1	0	390.421	1.557	50	30		GDEARM
C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000002916178	530533108	/nfs/dbraw/zinc/53/31/08/530533108.db2.gz	CRNOCXMZPVJOJB-UHFFFAOYSA-N	-1	0	381.182	1.772	50	30		GDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	ZINC000005489715	530539538	/nfs/dbraw/zinc/53/95/38/530539538.db2.gz	CBUFSKLAOUSFDV-UXCNFHJLSA-N	-1	0	382.463	1.543	50	30		GDEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(S(C)(=O)=O)cc2)n1	ZINC000006880266	530542771	/nfs/dbraw/zinc/54/27/71/530542771.db2.gz	LFZYOXPNISVRKA-ZDUSSCGKSA-N	-1	0	378.431	1.888	50	30		GDEARM
CCn1cc2[nH]c(OC)c(CNC(=O)c3cc(C#N)c(=O)[n-]c3C)cc-2c1=O	ZINC000071774474	211062553	/nfs/dbraw/zinc/06/25/53/211062553.db2.gz	CHKWGCBGLSFZIC-UHFFFAOYSA-N	-1	0	381.392	1.277	50	30		GDEARM
COc1cc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc(OC)c1OC	ZINC000004558041	560198579	/nfs/dbraw/zinc/19/85/79/560198579.db2.gz	DKFSJRHWNMDTRU-VGTRTNLYSA-N	-1	0	381.410	1.499	50	30	biogenic,in-vitro	GDEARM
O=C([O-])C[C@H]1S/C(=N/N=Cc2ccc(I)o2)NC1=O	ZINC000252512697	645104840	/nfs/dbraw/zinc/10/48/40/645104840.db2.gz	UVFVYSPWBKMGSK-ZCFIWIBFSA-N	-1	0	393.162	1.280	50	30		GDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	ZINC000005489711	530539471	/nfs/dbraw/zinc/53/94/71/530539471.db2.gz	CBUFSKLAOUSFDV-DCFQSUQFSA-N	-1	0	382.463	1.543	50	30		GDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000020444997	210333044	/nfs/dbraw/zinc/33/30/44/210333044.db2.gz	YNYXOECITLAEJL-DCFQSUQFSA-N	-1	0	398.462	1.161	50	30		GDEARM
COC(=O)c1ccccc1NC(=O)C[C@H]1N=C(NN=Cc2ccccc2)N=C1[O-]	ZINC000072401235	522274543	/nfs/dbraw/zinc/27/45/43/522274543.db2.gz	VOFBFSGPNBGYJY-SVZNOHIVSA-N	-1	0	393.403	1.280	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1ccccc1Cl	ZINC000071280312	527138917	/nfs/dbraw/zinc/13/89/17/527138917.db2.gz	QYHRAYWSEWXQEQ-VYXQJKENSA-N	-1	0	385.811	1.852	50	30		GDEARM
COc1ccc(F)cc1S(=O)(=O)NCC#CCOc1ccccc1C(N)=O	ZINC000090743972	570414564	/nfs/dbraw/zinc/41/45/64/570414564.db2.gz	RNNSXDBMXNHYKF-UHFFFAOYSA-N	-1	0	392.408	1.294	50	30		GDEARM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1	ZINC000011906436	570445829	/nfs/dbraw/zinc/44/58/29/570445829.db2.gz	OWOIIVLTMQLERX-UHFFFAOYSA-N	-1	0	391.430	1.426	50	30		GDEARM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005372943	570568794	/nfs/dbraw/zinc/56/87/94/570568794.db2.gz	XHKPOVXZQQQNEJ-FGQLKYCASA-N	-1	0	398.462	1.161	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1	ZINC000005388987	570578860	/nfs/dbraw/zinc/57/88/60/570578860.db2.gz	CWFZNTBPBWWBRX-IKZORZIJSA-N	-1	0	396.490	1.191	50	30		GDEARM
COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc([N+](=O)[O-])c1[O-]	ZINC000032170352	570970983	/nfs/dbraw/zinc/97/09/83/570970983.db2.gz	UVHKKFQCXWZYBG-UWVJOHFNSA-N	-1	0	392.347	1.521	50	30		GDEARM
COc1ccc([C@H]2SCC(=O)N2/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000004181795	530535118	/nfs/dbraw/zinc/53/51/18/530535118.db2.gz	BZXFDCQZGGBAJN-QMTHXVAHSA-N	-1	0	381.435	1.247	50	30		GDEARM
Cc1cc(C)n(CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)c1C#N	ZINC000036584656	221860249	/nfs/dbraw/zinc/86/02/49/221860249.db2.gz	GRAFVZXXVBQWAN-KRWDZBQOSA-N	-1	0	382.420	1.332	50	30		GDEARM
COc1ccc(OC)c(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)c1	ZINC000252462223	570960539	/nfs/dbraw/zinc/96/05/39/570960539.db2.gz	QUTFWUCASGNFCU-UHFFFAOYSA-N	-1	0	383.433	1.962	50	30		GDEARM
O=C([O-])c1ccccc1[C@H]1C2=C(Nc3[nH]c(=O)[nH]c(=O)c31)c1ccccc1C2=O	ZINC000018201109	210215862	/nfs/dbraw/zinc/21/58/62/210215862.db2.gz	JRPDQHLGGSHMHN-ZDUSSCGKSA-N	-1	0	387.351	1.926	50	30		GDEARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1	ZINC000048455934	530668216	/nfs/dbraw/zinc/66/82/16/530668216.db2.gz	YHSUIJDDSPAABI-LLVKDONJSA-N	-1	0	394.243	1.908	50	30		GDEARM
C=C(C)CN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncnn2C)cc1	ZINC000170598638	209185893	/nfs/dbraw/zinc/18/58/93/209185893.db2.gz	ARQBBEZAUVVFDL-UHFFFAOYSA-N	-1	0	399.498	1.203	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101456379	519151733	/nfs/dbraw/zinc/15/17/33/519151733.db2.gz	FVYUHVRAFMVFFP-AWEZNQCLSA-N	-1	0	399.363	1.034	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O	ZINC000101456062	519152862	/nfs/dbraw/zinc/15/28/62/519152862.db2.gz	OVUBPYJLLPQUET-CQSZACIVSA-N	-1	0	388.811	1.779	50	30		GDEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2CN2C(=O)CNC2=O)cc1	ZINC000048422230	570250936	/nfs/dbraw/zinc/25/09/36/570250936.db2.gz	VXQOARUHWYGDAI-UHFFFAOYSA-N	-1	0	387.417	1.740	50	30		GDEARM
C=CCN1C(=O)[N-]C(=O)C(=C(C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	ZINC000101083756	570796784	/nfs/dbraw/zinc/79/67/84/570796784.db2.gz	SJQYOVZHGBTYMP-NTCAYCPXSA-N	-1	0	395.419	1.435	50	30		GDEARM
O=C([O-])c1ccc([C@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000018201186	210215941	/nfs/dbraw/zinc/21/59/41/210215941.db2.gz	RACQDMURHZWMGO-ZDUSSCGKSA-N	-1	0	387.351	1.926	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1	ZINC000005377078	530538802	/nfs/dbraw/zinc/53/88/02/530538802.db2.gz	VJTYNXQKMABQFE-GXWWUJSJSA-N	-1	0	386.426	1.292	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1	ZINC000005516024	530539585	/nfs/dbraw/zinc/53/95/85/530539585.db2.gz	RXPYKQHMYVQWJP-GHBQHLJCSA-N	-1	0	386.426	1.292	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000005515985	530539890	/nfs/dbraw/zinc/53/98/90/530539890.db2.gz	DQKWHGDPAYCWFO-DCFQSUQFSA-N	-1	0	382.463	1.461	50	30		GDEARM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cncc(Br)c1	ZINC000042307249	530628726	/nfs/dbraw/zinc/62/87/26/530628726.db2.gz	XUBYYMRCSPPGRG-UHFFFAOYSA-N	-1	0	380.223	1.976	50	30		GDEARM
C#CCOc1c(I)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000014010023	209166762	/nfs/dbraw/zinc/16/67/62/209166762.db2.gz	OYXYGPVSDMOAAR-UXBLZVDNSA-N	-1	0	398.156	1.492	50	30		GDEARM
Cc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-]	ZINC000100028926	211382786	/nfs/dbraw/zinc/38/27/86/211382786.db2.gz	MPJBPWFCWDGQDX-OVCLIPMQSA-N	-1	0	380.338	1.829	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1ccccc1Cl	ZINC000071286982	527181812	/nfs/dbraw/zinc/18/18/12/527181812.db2.gz	IMVOQFSCVVOXSD-DGURAOSJSA-N	-1	0	385.811	1.852	50	30		GDEARM
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1/C(=N\[O-])c1nonc1N	ZINC000008715920	570537986	/nfs/dbraw/zinc/53/79/86/570537986.db2.gz	SDSJDSAJMMOELC-SDUFYYCASA-N	-1	0	395.807	1.948	50	30		GDEARM
C=CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O	ZINC000002970711	518938005	/nfs/dbraw/zinc/93/80/05/518938005.db2.gz	CRNXZCYZHZHWBZ-UHFFFAOYSA-N	-1	0	386.477	1.614	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccccc3OCC)C2)c(=O)[nH]c1=O	ZINC000101456855	519152118	/nfs/dbraw/zinc/15/21/18/519152118.db2.gz	ATHOZOQNFQFBKW-OAHLLOKOSA-N	-1	0	398.419	1.525	50	30		GDEARM
Nc1nonc1/C(=N/[O-])N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1	ZINC000009046885	570547275	/nfs/dbraw/zinc/54/72/75/570547275.db2.gz	RPIDSAKJSSPTIR-MNDPQUGUSA-N	-1	0	384.356	1.066	50	30		GDEARM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccccc1C(=O)[O-]	ZINC000018200402	210217310	/nfs/dbraw/zinc/21/73/10/210217310.db2.gz	FJERGOJSNYPBNS-ZDUSSCGKSA-N	-1	0	381.388	1.962	50	30		GDEARM
COC(=O)c1sc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)c(C(=O)OC)c1C	ZINC000048559315	530668672	/nfs/dbraw/zinc/66/86/72/530668672.db2.gz	ZPUKOONBZUVTFQ-XPUUQOCRSA-N	-1	0	375.424	1.931	50	30		GDEARM
COc1ccccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-]	ZINC000071288085	524602633	/nfs/dbraw/zinc/60/26/33/524602633.db2.gz	SLXHBLQMLGYYQJ-BBJIBYMTSA-N	-1	0	381.392	1.208	50	30		GDEARM
O=c1ccn(Cc2nnc(SC/C(=N/[O-])c3ccccc3Cl)o2)c(=O)[nH]1	ZINC000101368199	527492736	/nfs/dbraw/zinc/49/27/36/527492736.db2.gz	OIXGPEFFOWZYLG-JAIQZWGSSA-N	-1	0	393.812	1.592	50	30		GDEARM
O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1	ZINC000036038181	527649294	/nfs/dbraw/zinc/64/92/94/527649294.db2.gz	OIZDEHQOEOHYGO-GOSISDBHSA-N	-1	0	381.432	1.882	50	30		GDEARM
Cc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000005516165	570623433	/nfs/dbraw/zinc/62/34/33/570623433.db2.gz	FUQJMLPIRTXVCY-IKZORZIJSA-N	-1	0	396.490	1.851	50	30		GDEARM
O=C([O-])C[C@@H]1S/C(=N/N=Cc2ccc(I)o2)NC1=O	ZINC000252512696	645104911	/nfs/dbraw/zinc/10/49/11/645104911.db2.gz	UVFVYSPWBKMGSK-LURJTMIESA-N	-1	0	393.162	1.280	50	30		GDEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl	ZINC000006659683	530542117	/nfs/dbraw/zinc/54/21/17/530542117.db2.gz	UBTMIXLDSJMPLK-QLTQQZPISA-N	-1	0	383.882	1.851	50	30		GDEARM
Cc1nnc(N=NCc2cc(Br)c([O-])c(Br)c2)n1N	ZINC000006790223	530542948	/nfs/dbraw/zinc/54/29/48/530542948.db2.gz	QFMLGPHKZNVIBD-LNKIKWGQSA-N	-1	0	390.039	1.977	50	30		GDEARM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005485780	209596825	/nfs/dbraw/zinc/59/68/25/209596825.db2.gz	OHZRKQBKOZZWKX-IKZORZIJSA-N	-1	0	396.490	1.770	50	30		GDEARM
CCc1nc(SCC(=O)c2ccc3c(c2)N(C)C(=O)CO3)[n-]c(=O)c1C#N	ZINC000005238923	209231635	/nfs/dbraw/zinc/23/16/35/209231635.db2.gz	KLKDPLKKGBJQTR-UHFFFAOYSA-N	-1	0	384.417	1.534	50	30		GDEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1	ZINC000020427211	210333477	/nfs/dbraw/zinc/33/34/77/210333477.db2.gz	DBVGSDPLKPNMHZ-UHFFFAOYSA-N	-1	0	386.393	1.580	50	30		GDEARM
C=CCN(CC=C)C(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013237760	518762294	/nfs/dbraw/zinc/76/22/94/518762294.db2.gz	BLRCBDOVSQFCRX-QGZVFWFLSA-N	-1	0	384.436	1.663	50	30		GDEARM
COc1ccc(NC(=O)C[C@H]2N=C(NN=Cc3ccc(O)cc3)N=C2[O-])cc1	ZINC000071282598	524523994	/nfs/dbraw/zinc/52/39/94/524523994.db2.gz	ZKEQBMFYXMACMY-MBTVCVBTSA-N	-1	0	381.392	1.208	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1	ZINC000005388994	570578825	/nfs/dbraw/zinc/57/88/25/570578825.db2.gz	CWFZNTBPBWWBRX-NERIXLHVSA-N	-1	0	396.490	1.191	50	30		GDEARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1	ZINC000048455929	530668130	/nfs/dbraw/zinc/66/81/30/530668130.db2.gz	YHSUIJDDSPAABI-NSHDSACASA-N	-1	0	394.243	1.908	50	30		GDEARM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005490140	570614243	/nfs/dbraw/zinc/61/42/43/570614243.db2.gz	SNKVUXSWSCACJA-IKZORZIJSA-N	-1	0	396.490	1.770	50	30		GDEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(S(C)(=O)=O)cc2)n1	ZINC000006880268	530542836	/nfs/dbraw/zinc/54/28/36/530542836.db2.gz	LFZYOXPNISVRKA-CYBMUJFWSA-N	-1	0	378.431	1.888	50	30		GDEARM
COc1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)c([N+](=O)[O-])c1	ZINC000012285148	209929008	/nfs/dbraw/zinc/92/90/08/209929008.db2.gz	ZHTBJFSFQIUJEZ-HKWRFOASSA-N	-1	0	398.404	1.861	50	30		GDEARM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N\OCC(=O)[O-])C[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000036496819	525350367	/nfs/dbraw/zinc/35/03/67/525350367.db2.gz	HXNCOPXZMVYOSZ-BNBSGXFVSA-N	-1	0	375.421	1.843	50	30		GDEARM
N#CCCN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036359829	526460439	/nfs/dbraw/zinc/46/04/39/526460439.db2.gz	QOMQHNRXVKILMW-SFHVURJKSA-N	-1	0	388.399	1.522	50	30		GDEARM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cncc(N3CCOCC3)c2)cc1	ZINC000089331169	570445784	/nfs/dbraw/zinc/44/57/84/570445784.db2.gz	KCKXVSCQQRSETI-UHFFFAOYSA-N	-1	0	389.433	1.814	50	30		GDEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1ccncc1	ZINC000022922242	570479683	/nfs/dbraw/zinc/47/96/83/570479683.db2.gz	VUJXMQDQBKVLSF-UYRXBGFRSA-N	-1	0	381.432	1.513	50	30		GDEARM
COC(=O)[C@@]1(O)C(=C([O-])c2ccc([N+](=O)[O-])cc2)C(=O)C(=O)N1c1ccccc1	ZINC000005445582	570595416	/nfs/dbraw/zinc/59/54/16/570595416.db2.gz	MMOBVBCAAFMBCW-IBGZPJMESA-N	-1	0	398.327	1.498	50	30		GDEARM
Cc1nn(C)c2[n-]c(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)cc(=O)c12	ZINC000072312534	570648771	/nfs/dbraw/zinc/64/87/71/570648771.db2.gz	IJZNJDOKPQXQCL-NSHDSACASA-N	-1	0	379.376	1.626	50	30		GDEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1	ZINC000006659676	530542072	/nfs/dbraw/zinc/54/20/72/530542072.db2.gz	FSSCBOFIXVJFHW-PQKGRCELSA-N	-1	0	383.882	1.851	50	30		GDEARM
C#CCOc1c(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)cc1OC	ZINC000004784196	212079358	/nfs/dbraw/zinc/07/93/58/212079358.db2.gz	VFDUTFWJYDJNHB-UHFFFAOYSA-N	-1	0	379.166	1.219	50	30		GDEARM
N=C(NN=Cc1ccco1)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000013544769	221271737	/nfs/dbraw/zinc/27/17/37/221271737.db2.gz	ZCHKFLYVEMBGOV-VDLQQMNMSA-N	-1	0	386.389	1.692	50	30		GDEARM
C#Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1	ZINC000069391407	518363356	/nfs/dbraw/zinc/36/33/56/518363356.db2.gz	MCQNQDVQIIBHOE-UHFFFAOYSA-N	-1	0	378.413	1.562	50	30		GDEARM
NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1c1ccc(CC(=O)[O-])cc1	ZINC000007996538	527137513	/nfs/dbraw/zinc/13/75/13/527137513.db2.gz	JTBFKUONYOPXFJ-UHFFFAOYSA-N	-1	0	376.372	1.267	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1ccccc1Cl	ZINC000071280311	527181703	/nfs/dbraw/zinc/18/17/03/527181703.db2.gz	QYHRAYWSEWXQEQ-IXJMWADBSA-N	-1	0	385.811	1.852	50	30		GDEARM
Cc1cccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005370094	570565787	/nfs/dbraw/zinc/56/57/87/570565787.db2.gz	QHHDSFQRQODTSD-IKZORZIJSA-N	-1	0	396.490	1.851	50	30		GDEARM
N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc1	ZINC000012421814	570672793	/nfs/dbraw/zinc/67/27/93/570672793.db2.gz	QBFAVRPUHOURON-UHFFFAOYSA-N	-1	0	387.417	1.537	50	30		GDEARM
Cc1nc(=O)[n-]c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1C#N	ZINC000032776396	570807134	/nfs/dbraw/zinc/80/71/34/570807134.db2.gz	VAQKIPOWWWRTKK-SNVBAGLBSA-N	-1	0	386.433	1.691	50	30		GDEARM
COC(=O)c1sc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)c(C(=O)OC)c1C	ZINC000048559321	530669811	/nfs/dbraw/zinc/66/98/11/530669811.db2.gz	ZPUKOONBZUVTFQ-SVRRBLITSA-N	-1	0	375.424	1.931	50	30		GDEARM
C=CCN(C(=O)CCC(=O)[O-])[C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O	ZINC000004327696	212080014	/nfs/dbraw/zinc/08/00/14/212080014.db2.gz	WBZMBZDTVBIDTI-MRXNPFEDSA-N	-1	0	388.420	1.987	50	30		GDEARM
C=CCNC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000095464551	518894325	/nfs/dbraw/zinc/89/43/25/518894325.db2.gz	JIPROKYTUKCWCH-UHFFFAOYSA-N	-1	0	379.463	1.581	50	30		GDEARM
COc1cccc(NC(=O)C[C@H]2N=C(NN=Cc3ccccc3OC)N=C2[O-])c1	ZINC000071283047	526181851	/nfs/dbraw/zinc/18/18/51/526181851.db2.gz	ASWZVRNWQOCVAW-SVZNOHIVSA-N	-1	0	395.419	1.511	50	30		GDEARM
CCOC(=O)c1cc(C(=O)OCC)c([N-]N=C2C(=O)NC(=S)NC2=O)s1	ZINC000006016462	570814389	/nfs/dbraw/zinc/81/43/89/570814389.db2.gz	KWOYFRGNXUMPSJ-UHFFFAOYSA-N	-1	0	398.422	1.241	50	30		GDEARM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000004062210	570927615	/nfs/dbraw/zinc/92/76/15/570927615.db2.gz	HXNCOPXZMVYOSZ-VNYMNWHJSA-N	-1	0	375.421	1.843	50	30	biogenic	GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1	ZINC000005389004	220864790	/nfs/dbraw/zinc/86/47/90/220864790.db2.gz	CWFZNTBPBWWBRX-LKXWOGMASA-N	-1	0	396.490	1.191	50	30		GDEARM
O=C([O-])COc1ccc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018199410	221390100	/nfs/dbraw/zinc/39/01/00/221390100.db2.gz	AAFHHRTZSLKDNH-AWEZNQCLSA-N	-1	0	383.360	1.091	50	30		GDEARM
CCOC(=O)C1=NO[C@H](Cc2c(/C=N/[O-])c3c(c(OC)c2OC)OCO3)C1	ZINC000015086071	520545191	/nfs/dbraw/zinc/54/51/91/520545191.db2.gz	WYXLRFQUZOZVMJ-NKXMEUTISA-N	-1	0	380.353	1.491	50	30		GDEARM
CSc1cccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccc(O)cc3)N=C2[O-])c1	ZINC000071287245	526114033	/nfs/dbraw/zinc/11/40/33/526114033.db2.gz	MUDJDTUSSJQJHF-YODDIOPGSA-N	-1	0	397.460	1.921	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1	ZINC000101306456	527569766	/nfs/dbraw/zinc/56/97/66/527569766.db2.gz	WJJKQCBCCKRZSX-OCWZUINPSA-N	-1	0	382.463	1.148	50	30		GDEARM
Nn1cnnc1N=NCc1cc(Br)c([O-])c(Br)c1	ZINC000004492108	530536172	/nfs/dbraw/zinc/53/61/72/530536172.db2.gz	HJBVMSLPKXXEMZ-QLKAYGNNSA-N	-1	0	376.012	1.669	50	30		GDEARM
COC(=O)c1sccc1[N-]/N=C1\C(=O)c2ccccc2N(C)S1(=O)=O	ZINC000004697008	530536938	/nfs/dbraw/zinc/53/69/38/530536938.db2.gz	DBZVDHTUMIZBCQ-SAPNQHFASA-N	-1	0	379.419	1.923	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000005515987	530539783	/nfs/dbraw/zinc/53/97/83/530539783.db2.gz	DQKWHGDPAYCWFO-UXCNFHJLSA-N	-1	0	382.463	1.461	50	30		GDEARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1	ZINC000007786992	524345773	/nfs/dbraw/zinc/34/57/73/524345773.db2.gz	MQECOWVSBBVDLJ-UHFFFAOYSA-N	-1	0	395.371	1.661	50	30		GDEARM
N#Cc1cc(F)ccc1NC(=O)C[C@H]1N=C(NN=Cc2ccccc2)N=C1[O-]	ZINC000071284425	526560916	/nfs/dbraw/zinc/56/09/16/526560916.db2.gz	VIMODJIGSINARZ-CNPYVQQSSA-N	-1	0	378.367	1.504	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1c(F)cccc1F	ZINC000071286150	527182162	/nfs/dbraw/zinc/18/21/62/527182162.db2.gz	CUVOFMRPIVXDQQ-SCDDIDHTSA-N	-1	0	387.346	1.477	50	30		GDEARM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000170617189	570876090	/nfs/dbraw/zinc/87/60/90/570876090.db2.gz	HLFCZYKQOGRWQV-WWGRRREGSA-N	-1	0	396.465	1.605	50	30		GDEARM
COc1ccc([C@H]2SCC(=O)N2/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000004181793	530535053	/nfs/dbraw/zinc/53/50/53/530535053.db2.gz	BZXFDCQZGGBAJN-IINYFYTJSA-N	-1	0	381.435	1.247	50	30		GDEARM
O=C1CN(N=Cc2cc(Br)cc(Br)c2[O-])C(=O)N1	ZINC000252453063	531091458	/nfs/dbraw/zinc/09/14/58/531091458.db2.gz	ZCDFZYAWKYPEQA-UHFFFAOYSA-N	-1	0	376.992	1.803	50	30		GDEARM
Cc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H]3CCS(=O)(=O)C3)c2[O-])cc1	ZINC000016806494	221370290	/nfs/dbraw/zinc/37/02/90/221370290.db2.gz	BTFKCAXOPYNPBL-CQSZACIVSA-N	-1	0	386.429	1.633	50	30		GDEARM
Nn1cnnc1N=NCc1cc(Br)cc(Br)c1[O-]	ZINC000252592247	531091313	/nfs/dbraw/zinc/09/13/13/531091313.db2.gz	BEBIODKFBNRMEG-UHFFFAOYSA-N	-1	0	376.012	1.669	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1	ZINC000005377073	220862723	/nfs/dbraw/zinc/86/27/23/220862723.db2.gz	VJTYNXQKMABQFE-GHBQHLJCSA-N	-1	0	386.426	1.292	50	30		GDEARM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005485805	220875514	/nfs/dbraw/zinc/87/55/14/220875514.db2.gz	OHZRKQBKOZZWKX-LKXWOGMASA-N	-1	0	396.490	1.770	50	30		GDEARM
C=CCOc1ccc(-c2nnc(CCC(=O)NCCOC)c(=O)[n-]2)cc1OC	ZINC000034766202	519009393	/nfs/dbraw/zinc/00/93/93/519009393.db2.gz	SMPVVCPNOGCSAS-UHFFFAOYSA-N	-1	0	388.424	1.513	50	30		GDEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NC[C@@H]2CCCO2)c1=O	ZINC000100643335	519260813	/nfs/dbraw/zinc/26/08/13/519260813.db2.gz	FJGKNGGVSBBMKR-LBPRGKRZSA-N	-1	0	388.420	1.819	50	30		GDEARM
N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000013248502	526498150	/nfs/dbraw/zinc/49/81/50/526498150.db2.gz	OXCIEGZAIRCXEI-SFHVURJKSA-N	-1	0	385.445	1.956	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccccc2)N=C1[O-])Nc1ccc2c(c1)OCCO2	ZINC000071284405	527139144	/nfs/dbraw/zinc/13/91/44/527139144.db2.gz	UJZKMIJMJPQZDN-NGZBARDMSA-N	-1	0	393.403	1.265	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1ccccc1Cl	ZINC000071286985	527139182	/nfs/dbraw/zinc/13/91/82/527139182.db2.gz	IMVOQFSCVVOXSD-ANKPHQHTSA-N	-1	0	385.811	1.852	50	30		GDEARM
Cc1ccc(C)c(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000005485793	570612975	/nfs/dbraw/zinc/61/29/75/570612975.db2.gz	OHZRKQBKOZZWKX-NERIXLHVSA-N	-1	0	396.490	1.770	50	30		GDEARM
Nn1cnnc1N=NCc1cc(Br)c([O-])c(Br)c1	ZINC000252608323	531091423	/nfs/dbraw/zinc/09/14/23/531091423.db2.gz	HJBVMSLPKXXEMZ-UHFFFAOYSA-N	-1	0	376.012	1.669	50	30		GDEARM
O=C([O-])c1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000018201187	221390002	/nfs/dbraw/zinc/39/00/02/221390002.db2.gz	RACQDMURHZWMGO-CYBMUJFWSA-N	-1	0	387.351	1.926	50	30		GDEARM
COc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(C(N)=S)c1=O	ZINC000018322440	221392692	/nfs/dbraw/zinc/39/26/92/221392692.db2.gz	IBMDQCRDJCSQNY-HMMYKYKNSA-N	-1	0	398.404	1.861	50	30		GDEARM
CC(=O)Nc1cccc(NC(=O)C[C@H]2N=C(NN=Cc3ccccc3)N=C2[O-])c1	ZINC000071285403	519742394	/nfs/dbraw/zinc/74/23/94/519742394.db2.gz	VEWLLNUBUZXYFM-KKJJZKEWSA-N	-1	0	392.419	1.452	50	30		GDEARM
COc1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)c([N+](=O)[O-])c1	ZINC000100512785	524381606	/nfs/dbraw/zinc/38/16/06/524381606.db2.gz	ZHTBJFSFQIUJEZ-HMMYKYKNSA-N	-1	0	398.404	1.861	50	30		GDEARM
N#Cc1cc(F)ccc1NC(=O)C[C@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-]	ZINC000072401835	526560771	/nfs/dbraw/zinc/56/07/71/526560771.db2.gz	GRYMSJKSTRPDOA-YJCKXXIQSA-N	-1	0	394.366	1.210	50	30		GDEARM
COc1ccc(CCC(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)c(OC)c1OC	ZINC000225682084	222689910	/nfs/dbraw/zinc/68/99/10/222689910.db2.gz	LHJHBVSTSBIWKR-UHFFFAOYSA-N	-1	0	397.431	1.790	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F	ZINC000005516570	530539649	/nfs/dbraw/zinc/53/96/49/530539649.db2.gz	AFXWRROZXQSVPQ-GHBQHLJCSA-N	-1	0	386.426	1.292	50	30		GDEARM
COc1cc(O)c2c(c1)[C@H]1O[C@@H]1CC([O-])=C(O)C(=O)CCC[C@H](C)OC2=O	ZINC000034034438	212116346	/nfs/dbraw/zinc/11/63/46/212116346.db2.gz	SSNQAUBBJYCSMY-KNTMUCJRSA-N	-1	0	378.377	1.027	50	30	investigational	GDEARM
COc1ccc(OC)c(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)c1	ZINC000017994271	524843884	/nfs/dbraw/zinc/84/38/84/524843884.db2.gz	QUTFWUCASGNFCU-PGMHBOJBSA-N	-1	0	383.433	1.962	50	30		GDEARM
N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000013248504	526511128	/nfs/dbraw/zinc/51/11/28/526511128.db2.gz	OXCIEGZAIRCXEI-GOSISDBHSA-N	-1	0	385.445	1.956	50	30		GDEARM
COc1ccc(-c2[n-]n(CCO)c(=O)c2N=Nc2ccccc2[N+](=O)[O-])cc1	ZINC000012346172	570366289	/nfs/dbraw/zinc/36/62/89/570366289.db2.gz	CINUIAFTWNWGPJ-JZJYNLBNSA-N	-1	0	383.364	1.610	50	30		GDEARM
COc1cc(/C=N/N=C2/S[C@@H](CC(=O)[O-])C(=O)N2C)cc(OC)c1OC	ZINC000004323553	570367764	/nfs/dbraw/zinc/36/77/64/570367764.db2.gz	QPKPUFOJVQNUAR-KIWPYSRHSA-N	-1	0	381.410	1.451	50	30		GDEARM
COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc([N+](=O)[O-])c1[O-]	ZINC000018196050	221389771	/nfs/dbraw/zinc/38/97/71/221389771.db2.gz	OICUDOKGSOYICX-AWEZNQCLSA-N	-1	0	386.368	1.954	50	30		GDEARM
O=C([O-])COc1ccccc1[C@H]1c2c(=O)[nH]c(=O)[nH]c2NC2=C1C(=O)CCC2	ZINC000018199440	221390425	/nfs/dbraw/zinc/39/04/25/221390425.db2.gz	GUCOUJYPYOVEAB-CQSZACIVSA-N	-1	0	383.360	1.091	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1C	ZINC000005516141	570623455	/nfs/dbraw/zinc/62/34/55/570623455.db2.gz	LSLMRKMLBAVUBU-NERIXLHVSA-N	-1	0	396.490	1.770	50	30		GDEARM
N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1N	ZINC000042006430	570833106	/nfs/dbraw/zinc/83/31/06/570833106.db2.gz	QFCIMPAEGOEBPJ-UHFFFAOYSA-N	-1	0	383.389	1.825	50	30		GDEARM
N#Cc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(C(N)=S)c1=O	ZINC000252460579	570960187	/nfs/dbraw/zinc/96/01/87/570960187.db2.gz	GMJXABWTVRKXFS-UHFFFAOYSA-N	-1	0	393.388	1.724	50	30		GDEARM
COC(=O)c1scc(S(=O)(=O)Cc2ccco2)c1[N-]N=C(C#N)C#N	ZINC000002157913	530532137	/nfs/dbraw/zinc/53/21/37/530532137.db2.gz	USQBJATWPAKLLP-UHFFFAOYSA-N	-1	0	378.391	1.917	50	30		GDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1	ZINC000005516026	530539591	/nfs/dbraw/zinc/53/95/91/530539591.db2.gz	RXPYKQHMYVQWJP-GXWWUJSJSA-N	-1	0	386.426	1.292	50	30		GDEARM
O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1CSCN1C(=O)c1ccccc1	ZINC000052794252	530688186	/nfs/dbraw/zinc/68/81/86/530688186.db2.gz	WMNXJPARSHGJMG-AWEZNQCLSA-N	-1	0	383.495	1.889	50	30		GDEARM
O=C([O-])C[C@@H]([NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002709114	220554568	/nfs/dbraw/zinc/55/45/68/220554568.db2.gz	QJFIMXKNKTZMBQ-SJKOYZFVSA-N	-1	0	384.388	1.314	50	30		GDEARM
COc1ccc(C=NNC2=N[C@@H](CC(=O)Nc3ccccc3)C([O-])=N2)cc1OC	ZINC000071283817	523443796	/nfs/dbraw/zinc/44/37/96/523443796.db2.gz	SEPXFWAANHZKNN-NGZBARDMSA-N	-1	0	395.419	1.511	50	30		GDEARM
COc1ccc(C=NNC2=N[C@H](CC(=O)Nc3ccccc3)C([O-])=N2)cc1OC	ZINC000071283816	523444780	/nfs/dbraw/zinc/44/47/80/523444780.db2.gz	SEPXFWAANHZKNN-VRCTWVPOSA-N	-1	0	395.419	1.511	50	30		GDEARM
NC(=NN=Cc1ccco1)Sc1cc(O)n(-c2cccc(C(=O)[O-])c2)c1O	ZINC000003055120	526806368	/nfs/dbraw/zinc/80/63/68/526806368.db2.gz	MKURLBMLLVISIB-PFHXIJNMSA-N	-1	0	386.389	1.692	50	30		GDEARM
O=C([O-])C1=Nc2nnnn2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)c1ccccc1	ZINC000012375857	527559816	/nfs/dbraw/zinc/55/98/16/527559816.db2.gz	OEKGIMWDHZWKNK-HNNXBMFYSA-N	-1	0	392.331	1.818	50	30		GDEARM
O=C([O-])C1=Nc2nnnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)c1ccccc1	ZINC000012375856	527560406	/nfs/dbraw/zinc/56/04/06/527560406.db2.gz	OEKGIMWDHZWKNK-OAHLLOKOSA-N	-1	0	392.331	1.818	50	30		GDEARM
O=C([O-])C[C@H]([NH2+]C[C@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002709113	570506661	/nfs/dbraw/zinc/50/66/61/570506661.db2.gz	QJFIMXKNKTZMBQ-SJCJKPOMSA-N	-1	0	384.388	1.314	50	30		GDEARM
CNS(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000078564626	530033889	/nfs/dbraw/zinc/03/38/89/530033889.db2.gz	DCXLHABUGCKHOZ-UHFFFAOYSA-N	-1	0	384.435	1.297	50	30		GDEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl	ZINC000006659684	530542216	/nfs/dbraw/zinc/54/22/16/530542216.db2.gz	UBTMIXLDSJMPLK-WWTZIWLLSA-N	-1	0	383.882	1.851	50	30		GDEARM
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N	ZINC000042314708	530628497	/nfs/dbraw/zinc/62/84/97/530628497.db2.gz	VKDQZLXRNNVXTP-VOTSOKGWSA-N	-1	0	376.415	1.925	50	30		GDEARM
NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=N[N-]c2nccs2)C1=O	ZINC000009659806	531062064	/nfs/dbraw/zinc/06/20/64/531062064.db2.gz	RQVYTVINVKYPOG-YBEGLDIGSA-N	-1	0	375.395	1.309	50	30		GDEARM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)s1	ZINC000058066591	519668913	/nfs/dbraw/zinc/66/89/13/519668913.db2.gz	ZBRDTVMEUFFSDD-UHFFFAOYSA-N	-1	0	377.447	1.992	50	30		GDEARM
N=C(NN=Cc1ccccn1)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000100698638	526825154	/nfs/dbraw/zinc/82/51/54/526825154.db2.gz	OKGKKUQVEYDASY-YVJZOELXSA-N	-1	0	397.416	1.703	50	30		GDEARM
COc1cccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005372972	570568734	/nfs/dbraw/zinc/56/87/34/570568734.db2.gz	XHKPOVXZQQQNEJ-DCFQSUQFSA-N	-1	0	398.462	1.161	50	30		GDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O	ZINC000004675920	212079577	/nfs/dbraw/zinc/07/95/77/212079577.db2.gz	XTAIIOCKSPXFPB-JLHYYAGUSA-N	-1	0	386.364	1.079	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccccc3OC)C2)c(=O)[nH]c1=O	ZINC000101764798	519152830	/nfs/dbraw/zinc/15/28/30/519152830.db2.gz	LSQRYXNLNKKTHR-AWEZNQCLSA-N	-1	0	398.419	1.525	50	30		GDEARM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(O)cc2)c1=O	ZINC000100560245	527110109	/nfs/dbraw/zinc/11/01/09/527110109.db2.gz	MPKKVCCYVCDAQO-XMHGGMMESA-N	-1	0	384.377	1.558	50	30		GDEARM
C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O	ZINC000100475644	570427422	/nfs/dbraw/zinc/42/74/22/570427422.db2.gz	BOWXVSBRCKAMCQ-UHFFFAOYSA-N	-1	0	399.428	1.793	50	30		GDEARM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@]2(O)C(=O)OC)cc1	ZINC000005799604	570693080	/nfs/dbraw/zinc/69/30/80/570693080.db2.gz	YEJDBLFJCDGHQA-NRFANRHFSA-N	-1	0	397.383	1.989	50	30		GDEARM
N#Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc3[nH]c(=O)sc3c1)OCO2	ZINC000004727682	530536521	/nfs/dbraw/zinc/53/65/21/530536521.db2.gz	INYDWIVWWAYWAR-UHFFFAOYSA-N	-1	0	375.387	1.991	50	30		GDEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1C	ZINC000048473863	530668521	/nfs/dbraw/zinc/66/85/21/530668521.db2.gz	BIIZAIUYRVXRIJ-GFCCVEGCSA-N	-1	0	377.509	1.869	50	30		GDEARM
C[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000042308723	221940759	/nfs/dbraw/zinc/94/07/59/221940759.db2.gz	ULLWBUCMICOEOS-LLVKDONJSA-N	-1	0	377.447	1.384	50	30		GDEARM
CSc1cccc(NC(=O)C[C@H]2N=C(NN=Cc3ccc(O)cc3)N=C2[O-])c1	ZINC000071287243	526117419	/nfs/dbraw/zinc/11/74/19/526117419.db2.gz	MUDJDTUSSJQJHF-MBTVCVBTSA-N	-1	0	397.460	1.921	50	30		GDEARM
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1	ZINC000038199321	526307911	/nfs/dbraw/zinc/30/79/11/526307911.db2.gz	OIZDEHQOEOHYGO-SFHVURJKSA-N	-1	0	381.432	1.882	50	30		GDEARM
N=C(NN=Cc1ccco1)S[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000018127850	526826189	/nfs/dbraw/zinc/82/61/89/526826189.db2.gz	MKURLBMLLVISIB-VDLQQMNMSA-N	-1	0	386.389	1.901	50	30		GDEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1cccnc1	ZINC000022867194	527122000	/nfs/dbraw/zinc/12/20/00/527122000.db2.gz	RHQQFWLLKSNZJO-UNOMPAQXSA-N	-1	0	381.432	1.513	50	30		GDEARM
COC(=O)[C@]1(O)C(=C([O-])c2ccc([N+](=O)[O-])cc2)C(=O)C(=O)N1c1ccccc1	ZINC000005445580	570595405	/nfs/dbraw/zinc/59/54/05/570595405.db2.gz	MMOBVBCAAFMBCW-LJQANCHMSA-N	-1	0	398.327	1.498	50	30		GDEARM
Cc1ccc(N2C[C@H](C(=O)N3CCc4[n-]c(=O)c(C#N)cc4C3)CC2=O)cc1C	ZINC000225681525	222690066	/nfs/dbraw/zinc/69/00/66/222690066.db2.gz	QQXIJSXTBIISHF-QGZVFWFLSA-N	-1	0	390.443	1.801	50	30		GDEARM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000095447968	530817752	/nfs/dbraw/zinc/81/77/52/530817752.db2.gz	VKJCMSDOYUARGU-UHFFFAOYSA-N	-1	0	377.447	1.899	50	30		GDEARM
O=C([O-])COc1ccc([C@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018199408	221390513	/nfs/dbraw/zinc/39/05/13/221390513.db2.gz	AAFHHRTZSLKDNH-CQSZACIVSA-N	-1	0	383.360	1.091	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccc(F)cc2)N=C1[O-])Nc1c(F)cccc1F	ZINC000071287370	527182262	/nfs/dbraw/zinc/18/22/62/527182262.db2.gz	JPCMBGJKMUIVHX-BMZJSHLCSA-N	-1	0	389.337	1.911	50	30		GDEARM
C=CCNC(=O)NC(=O)COC(=O)CCC(=O)c1ccc(O)c(OCC)c1	ZINC000005975294	212080972	/nfs/dbraw/zinc/08/09/72/212080972.db2.gz	IZCBJEOGBFOBNO-UHFFFAOYSA-N	-1	0	378.381	1.309	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)c(=O)[nH]c1=O	ZINC000101456796	519152047	/nfs/dbraw/zinc/15/20/47/519152047.db2.gz	FSGPESAFKLKHFY-AWEZNQCLSA-N	-1	0	384.392	1.134	50	30		GDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101455821	519152631	/nfs/dbraw/zinc/15/26/31/519152631.db2.gz	KQRLSNWXFUMKSL-CQSZACIVSA-N	-1	0	399.363	1.034	50	30		GDEARM
Cc1csc(C(C#N)=C([O-])COC(=O)Cc2n[nH]c(=O)c3ccccc23)n1	ZINC000007286885	526401183	/nfs/dbraw/zinc/40/11/83/526401183.db2.gz	ZAQNXCVATDPTSU-ZDUSSCGKSA-N	-1	0	382.401	1.650	50	30		GDEARM
O=C(C[C@H]1N=C(NN=Cc2ccccc2O)N=C1[O-])Nc1ccc(F)c(F)c1	ZINC000071287766	527182208	/nfs/dbraw/zinc/18/22/08/527182208.db2.gz	YNTQXZRIPRVXNV-SCDDIDHTSA-N	-1	0	387.346	1.477	50	30		GDEARM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1	ZINC000072309935	570537880	/nfs/dbraw/zinc/53/78/80/570537880.db2.gz	YWDVISYHVMAEOS-CQSZACIVSA-N	-1	0	396.465	1.435	50	30		GDEARM
Cc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1C	ZINC000005516139	570623424	/nfs/dbraw/zinc/62/34/24/570623424.db2.gz	LSLMRKMLBAVUBU-YQTDRKPDSA-N	-1	0	396.490	1.770	50	30		GDEARM
CCOC(=O)c1sc(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)c(C(=O)OCC)c1C	ZINC000001958085	212260034	/nfs/dbraw/zinc/26/00/34/212260034.db2.gz	VXSVLBRLSGUEOA-UHFFFAOYSA-N	-1	0	396.381	1.384	50	30		GDEARM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N\OCC(=O)[O-])C[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000036496815	525350648	/nfs/dbraw/zinc/35/06/48/525350648.db2.gz	HXNCOPXZMVYOSZ-ODRYTEAESA-N	-1	0	375.421	1.843	50	30		GDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccc(O)cc2)N=C1[O-])Nc1c(F)cccc1F	ZINC000071286152	527139091	/nfs/dbraw/zinc/13/90/91/527139091.db2.gz	CUVOFMRPIVXDQQ-SLSPDHCBSA-N	-1	0	387.346	1.477	50	30		GDEARM
Cc1cc(C)cc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000005490146	570614305	/nfs/dbraw/zinc/61/43/05/570614305.db2.gz	SNKVUXSWSCACJA-LKXWOGMASA-N	-1	0	396.490	1.770	50	30		GDEARM