smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1Cl	ZINC000001185947	203894580	/nfs/dbraw/zinc/89/45/80/203894580.db2.gz	DEKJSIGDSVCDLM-UHFFFAOYSA-N	-1	0	376.777	2.213	50	10		GECARM
COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc(OC)c1OC	ZINC000002934766	203975631	/nfs/dbraw/zinc/97/56/31/203975631.db2.gz	WCAHFSNHSNCRPZ-VQLBTBKJSA-N	-1	0	383.447	2.387	50	10		GECARM
O=C([O-])[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000005348294	204127487	/nfs/dbraw/zinc/12/74/87/204127487.db2.gz	CSRRRALIRCYWSF-JFBXQDQPSA-N	-1	0	390.486	2.354	50	10		GECARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1	ZINC000005023976	204103047	/nfs/dbraw/zinc/10/30/47/204103047.db2.gz	DCXAIKAWTRZKPA-DHDCSXOGSA-N	-1	0	380.356	2.480	50	10		GECARM
Cc1ccccc1CN1CCN(CC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000008748074	204288183	/nfs/dbraw/zinc/28/81/83/204288183.db2.gz	GUUHDHJTAMWWML-UHFFFAOYSA-N	-1	0	398.463	2.043	50	10		GECARM
Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000002736178	570296990	/nfs/dbraw/zinc/29/69/90/570296990.db2.gz	GOTRRVUGDGBRKG-UHFFFAOYSA-N	-1	0	383.429	2.015	50	10		GECARM
C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCS(=O)(=O)[O-])C3=O)ccc2O1	ZINC000002232553	531502104	/nfs/dbraw/zinc/50/21/04/531502104.db2.gz	NZABWYPZUVESCR-TVNQGELYSA-N	-1	0	385.488	2.099	50	10		GECARM
CCN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)N(CC)C1=S	ZINC000004723779	204069814	/nfs/dbraw/zinc/06/98/14/204069814.db2.gz	GYEXXTCGLBLZNH-UHFFFAOYSA-N	-1	0	396.852	2.182	50	10		GECARM
COc1ccccc1NNC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000004852137	204081704	/nfs/dbraw/zinc/08/17/04/204081704.db2.gz	WATIPEDHHSJGBE-RAXLEYEMSA-N	-1	0	386.795	2.432	50	10		GECARM
O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccc(O)cc1	ZINC000005346384	204126556	/nfs/dbraw/zinc/12/65/56/204126556.db2.gz	VTHGARSTIHQKIO-RIYZIHGNSA-N	-1	0	388.426	2.350	50	10		GECARM
COC(=O)COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000005751403	204150285	/nfs/dbraw/zinc/15/02/85/204150285.db2.gz	ODAKOQGHDIFQJK-WJDWOHSUSA-N	-1	0	394.383	2.213	50	10		GECARM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000005648588	204143879	/nfs/dbraw/zinc/14/38/79/204143879.db2.gz	APLPHXORBVIISP-SDNWHVSQSA-N	-1	0	379.372	2.360	50	10		GECARM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000005647232	204145130	/nfs/dbraw/zinc/14/51/30/204145130.db2.gz	XIHYFPVCVBJPKE-CPNJWEJPSA-N	-1	0	399.472	2.480	50	10		GECARM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000100503209	570272719	/nfs/dbraw/zinc/27/27/19/570272719.db2.gz	XIHYFPVCVBJPKE-UYRXBGFRSA-N	-1	0	399.472	2.480	50	10		GECARM
CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)cc1	ZINC000013570813	570759371	/nfs/dbraw/zinc/75/93/71/570759371.db2.gz	BRODSSWJIXKZBX-UHFFFAOYSA-N	-1	0	381.388	2.020	50	10		GECARM
CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1	ZINC000103718223	570888079	/nfs/dbraw/zinc/88/80/79/570888079.db2.gz	YCMLVPUESZZWHL-IJVRYNLRSA-N	-1	0	399.491	2.316	50	10		GECARM
CCc1ccc(N2[N-]C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1	ZINC000016156181	570915540	/nfs/dbraw/zinc/91/55/40/570915540.db2.gz	RKYODDFKNSSQLL-DHDCSXOGSA-N	-1	0	383.360	2.333	50	10		GECARM
CC1(C)C[C@H](O)C[C@](C)(CNC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1	ZINC000105443098	570924568	/nfs/dbraw/zinc/92/45/68/570924568.db2.gz	YCMLVPUESZZWHL-LLOFDIIJSA-N	-1	0	399.491	2.316	50	10		GECARM
Cc1c(N=Nc2c(O)n(-c3ccccc3)[n-]c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000252621107	571033028	/nfs/dbraw/zinc/03/30/28/571033028.db2.gz	MTEYYJNYFBVUHD-KRWDZBQOSA-N	-1	0	390.403	2.015	50	10		GECARM
COCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000019079609	531576351	/nfs/dbraw/zinc/57/63/51/531576351.db2.gz	DBTYANAFINIJGD-UHFFFAOYSA-N	-1	0	378.435	2.077	50	10		GECARM
COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc(OC)c1OC	ZINC000002934770	203975219	/nfs/dbraw/zinc/97/52/19/203975219.db2.gz	WCAHFSNHSNCRPZ-HLPMDPMVSA-N	-1	0	383.447	2.387	50	10		GECARM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)c1ccccc1F	ZINC000001118719	206212396	/nfs/dbraw/zinc/21/23/96/206212396.db2.gz	PXWFVZUXWKYOKJ-UHFFFAOYSA-N	-1	0	388.738	2.448	50	10		GECARM
Cc1cccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)c1	ZINC000101032598	136189407	/nfs/dbraw/zinc/18/94/07/136189407.db2.gz	YGTGUWUWPFQPJL-XNTDXEJSSA-N	-1	0	395.440	2.145	50	10		GECARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCC(=O)[O-])C1=O	ZINC000002278034	136193481	/nfs/dbraw/zinc/19/34/81/136193481.db2.gz	OVUVMXLUDXGYCN-GXDHUFHOSA-N	-1	0	380.356	2.125	50	10		GECARM
COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000004860522	536659534	/nfs/dbraw/zinc/65/95/34/536659534.db2.gz	KAKSQOWODGWUCM-ZROIWOOFSA-N	-1	0	384.413	2.241	50	10		GECARM
CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000096237069	570221759	/nfs/dbraw/zinc/22/17/59/570221759.db2.gz	XECMKHRMRWCMDP-UHFFFAOYSA-N	-1	0	393.421	2.078	50	10		GECARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000100998245	570280264	/nfs/dbraw/zinc/28/02/64/570280264.db2.gz	DXAOTFVKLUWVIF-WJDWOHSUSA-N	-1	0	378.388	2.056	50	10		GECARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1	ZINC000004834412	570309602	/nfs/dbraw/zinc/30/96/02/570309602.db2.gz	PUBQRFATGGQQGW-QGOAFFKASA-N	-1	0	392.415	2.262	50	10		GECARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1	ZINC000005485035	570612485	/nfs/dbraw/zinc/61/24/85/570612485.db2.gz	QUQSVWJJJRJGLK-UVTDQMKNSA-N	-1	0	391.499	2.485	50	10		GECARM
COc1ccc(N2C(=O)C(=CNc3cccc(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000103844602	570889378	/nfs/dbraw/zinc/88/93/78/570889378.db2.gz	WAHXELJEHGODEE-LFIBNONCSA-N	-1	0	383.429	2.448	50	10		GECARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C2=O)cc1	ZINC000004806503	570996815	/nfs/dbraw/zinc/99/68/15/570996815.db2.gz	WTRNVEKJBPADMF-JYRVWZFOSA-N	-1	0	387.373	2.327	50	10		GECARM
Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000002833158	531506504	/nfs/dbraw/zinc/50/65/04/531506504.db2.gz	BBPBIXITAAXZSK-NTEUORMPSA-N	-1	0	378.475	2.117	50	10		GECARM
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(O)=C1SC(=S)[N-]C1=O	ZINC000138039042	532290815	/nfs/dbraw/zinc/29/08/15/532290815.db2.gz	PGTCGZXNHREYSE-QMMMGPOBSA-N	-1	0	382.772	2.383	50	10		GECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1	ZINC000004704557	204066228	/nfs/dbraw/zinc/06/62/28/204066228.db2.gz	MWVHCMXFZDETRI-MLPAPPSSSA-N	-1	0	395.327	2.298	50	10		GECARM
COc1ccc(N2CCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)CC2)cc1	ZINC000004411668	204044913	/nfs/dbraw/zinc/04/49/13/204044913.db2.gz	AMZIGSULUHXLTF-UHFFFAOYSA-N	-1	0	389.477	2.029	50	10		GECARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1Cl	ZINC000004498106	204048667	/nfs/dbraw/zinc/04/86/67/204048667.db2.gz	LZXVMDGCVGUYBH-ZSOIEALJSA-N	-1	0	396.834	2.300	50	10		GECARM
O=C([O-])[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000005348296	204126764	/nfs/dbraw/zinc/12/67/64/204126764.db2.gz	CSRRRALIRCYWSF-ODUNQGDFSA-N	-1	0	390.486	2.354	50	10		GECARM
COc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc(OC)c1O	ZINC000007166598	204234610	/nfs/dbraw/zinc/23/46/10/204234610.db2.gz	JTQGAHUVWOQWPC-WQLSENKSSA-N	-1	0	383.447	2.475	50	10		GECARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCC2	ZINC000009883912	204326735	/nfs/dbraw/zinc/32/67/35/204326735.db2.gz	FVRSDVSWPUCJSW-UHFFFAOYSA-N	-1	0	381.435	2.353	50	10		GECARM
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000019079142	204624926	/nfs/dbraw/zinc/62/49/26/204624926.db2.gz	KXDKDFZYAPLIND-UHFFFAOYSA-N	-1	0	378.435	2.459	50	10		GECARM
COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c1	ZINC000000722466	524799588	/nfs/dbraw/zinc/79/95/88/524799588.db2.gz	VPGKTZLIQGJFAW-KAMYIIQDSA-N	-1	0	382.372	2.379	50	10		GECARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2	ZINC000000658381	570285567	/nfs/dbraw/zinc/28/55/67/570285567.db2.gz	HHLLOWQVGBNJEL-NTEUORMPSA-N	-1	0	384.388	2.428	50	10		GECARM
COc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)c1	ZINC000002892738	570317290	/nfs/dbraw/zinc/31/72/90/570317290.db2.gz	AOIKSWPTCBTRCZ-PTNGSMBKSA-N	-1	0	397.387	2.291	50	10		GECARM
Cn1cccc1/C=C1/SC(=S)N([N-]S(=O)(=O)c2ccccc2)C1=O	ZINC000002417030	531503654	/nfs/dbraw/zinc/50/36/54/531503654.db2.gz	OQACHWZJCGNOQE-JLHYYAGUSA-N	-1	0	379.488	2.120	50	10		GECARM
CCCN1c2ccccc2/C(=C2/SC(=S)N(CCC(=O)[O-])C2=O)C1=O	ZINC000013403778	531561132	/nfs/dbraw/zinc/56/11/32/531561132.db2.gz	QSUDWWAUYDCMPG-YPKPFQOOSA-N	-1	0	376.459	2.489	50	10		GECARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000005009682	204102030	/nfs/dbraw/zinc/10/20/30/204102030.db2.gz	XGSDHFIXNRHXIG-DHDCSXOGSA-N	-1	0	380.356	2.053	50	10		GECARM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	ZINC000012462455	204844738	/nfs/dbraw/zinc/84/47/38/204844738.db2.gz	NRMZMASPFDODEZ-ZSOIEALJSA-N	-1	0	379.336	2.482	50	10		GECARM
O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	ZINC000001216023	570258542	/nfs/dbraw/zinc/25/85/42/570258542.db2.gz	SUKIGNZYFFRPOG-ZDUSSCGKSA-N	-1	0	394.383	2.412	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(OC)c1	ZINC000002892672	570316922	/nfs/dbraw/zinc/31/69/22/570316922.db2.gz	XXRRITIBELLKEV-BENRWUELSA-N	-1	0	385.351	2.422	50	10		GECARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccc(C)cc1	ZINC000002987484	570524878	/nfs/dbraw/zinc/52/48/78/570524878.db2.gz	UAHZJFBZMDAEJO-UHFFFAOYSA-N	-1	0	396.399	2.211	50	10		GECARM
O=C1[N-]C(=O)C(=Cc2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)C(=O)N1	ZINC000000956909	570738342	/nfs/dbraw/zinc/73/83/42/570738342.db2.gz	TWOOOLKOJBHIMU-UHFFFAOYSA-N	-1	0	377.316	2.499	50	10		GECARM
NC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000013535783	570756879	/nfs/dbraw/zinc/75/68/79/570756879.db2.gz	QEJOYKDXTCIRHC-OVCLIPMQSA-N	-1	0	392.371	2.222	50	10		GECARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(OC)c1O	ZINC000013775133	570789361	/nfs/dbraw/zinc/78/93/61/570789361.db2.gz	YKKHOCXQOPLGJM-JYRVWZFOSA-N	-1	0	382.372	2.384	50	10		GECARM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)ccc1F	ZINC000055679248	601325503	/nfs/dbraw/zinc/32/55/03/601325503.db2.gz	JDJAIZZHQFGOBG-UHFFFAOYSA-N	-1	0	380.397	2.161	50	10		GECARM
CN(C)/N=N/c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000000850344	203860167	/nfs/dbraw/zinc/86/01/67/203860167.db2.gz	DOMVEXKTZKRJQW-RJCBAWPRSA-N	-1	0	376.438	2.221	50	10		GECARM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000004503416	204048754	/nfs/dbraw/zinc/04/87/54/204048754.db2.gz	WQDBBWBKGIRQAW-MHWRWJLKSA-N	-1	0	398.346	2.044	50	10		GECARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)c1	ZINC000006158793	204167922	/nfs/dbraw/zinc/16/79/22/204167922.db2.gz	TVGQUVWRULFRES-BOPFTXTBSA-N	-1	0	394.387	2.232	50	10		GECARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC)C2=O)c1	ZINC000009164639	204300787	/nfs/dbraw/zinc/30/07/87/204300787.db2.gz	KJDFPHVGPMXDIZ-GXDHUFHOSA-N	-1	0	382.372	2.379	50	10		GECARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1O	ZINC000012338892	204398260	/nfs/dbraw/zinc/39/82/60/204398260.db2.gz	BARRCDBLZHTYCF-SDQBBNPISA-N	-1	0	388.763	2.426	50	10		GECARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3cccs3)C2=O)cc1	ZINC000003003949	570325792	/nfs/dbraw/zinc/32/57/92/570325792.db2.gz	WWZWEHNOYFRDLT-GDNBJRDFSA-N	-1	0	399.428	2.499	50	10		GECARM
CC1(C)C[C@@H](O)C[C@@](C)(CNC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1	ZINC000006394399	570403857	/nfs/dbraw/zinc/40/38/57/570403857.db2.gz	YCMLVPUESZZWHL-GXQWKOOFSA-N	-1	0	399.491	2.316	50	10		GECARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1	ZINC000005478719	570609267	/nfs/dbraw/zinc/60/92/67/570609267.db2.gz	RHFRWIJUHRWFQF-UVTDQMKNSA-N	-1	0	393.515	2.428	50	10		GECARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C	ZINC000016160966	570915833	/nfs/dbraw/zinc/91/58/33/570915833.db2.gz	FNFNMTURLFJUGO-YBEGLDIGSA-N	-1	0	390.399	2.381	50	10		GECARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1	ZINC000027229637	531624357	/nfs/dbraw/zinc/62/43/57/531624357.db2.gz	RHFRWIJUHRWFQF-GXDHUFHOSA-N	-1	0	393.515	2.428	50	10		GECARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3F)C2=O)c1	ZINC000019608003	204666915	/nfs/dbraw/zinc/66/69/15/204666915.db2.gz	MXEFMZONPLTWMF-KAMYIIQDSA-N	-1	0	399.378	2.099	50	10		GECARM
COc1ccc(N2CCCC2=O)c([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000072405883	205345602	/nfs/dbraw/zinc/34/56/02/205345602.db2.gz	KNBCGIABVKPSRF-UHFFFAOYSA-N	-1	0	388.405	2.159	50	10		GECARM
Cc1cc2ncc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)n2[n-]1	ZINC000101788026	136189924	/nfs/dbraw/zinc/18/99/24/136189924.db2.gz	BNKCFYKFAJVFCO-CQSZACIVSA-N	-1	0	379.464	2.497	50	10		GECARM
Cc1ccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1	ZINC000101037407	136196104	/nfs/dbraw/zinc/19/61/04/136196104.db2.gz	YSNJJEMLIAIXSX-XNTDXEJSSA-N	-1	0	395.440	2.145	50	10		GECARM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000101089682	136196238	/nfs/dbraw/zinc/19/62/38/136196238.db2.gz	MFOJIYVGZRGFJZ-FMIVXFBMSA-N	-1	0	399.790	2.325	50	10		GECARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c(OC)c1	ZINC000014920078	570277152	/nfs/dbraw/zinc/27/71/52/570277152.db2.gz	RTJXDAYCEHMURG-UVTDQMKNSA-N	-1	0	382.372	2.379	50	10		GECARM
Cc1ccc2c(c1)/C(=C1/SC(=S)N(NC(=O)c3ccncc3)C1=O)C(=O)N2	ZINC000001797076	570425419	/nfs/dbraw/zinc/42/54/19/570425419.db2.gz	DTJABVKVEHHHQL-YPKPFQOOSA-N	-1	0	396.453	2.259	50	10		GECARM
Cn1c(SCC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])nnc1-c1ccco1	ZINC000012427805	570657766	/nfs/dbraw/zinc/65/77/66/570657766.db2.gz	JWYQLOQPTAROON-UHFFFAOYSA-N	-1	0	389.393	2.097	50	10		GECARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1ccc(C)cc1	ZINC000001178209	570790458	/nfs/dbraw/zinc/79/04/58/570790458.db2.gz	SFMDADWLBKZFFY-UHFFFAOYSA-N	-1	0	394.383	2.362	50	10		GECARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1O	ZINC000001192824	570792524	/nfs/dbraw/zinc/79/25/24/570792524.db2.gz	TYMONKVOWFEOHY-RIYZIHGNSA-N	-1	0	382.372	2.384	50	10		GECARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000015013936	570871690	/nfs/dbraw/zinc/87/16/90/570871690.db2.gz	MLZJHUBNRVZBFL-WJDWOHSUSA-N	-1	0	386.404	2.033	50	10		GECARM
O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c2)N1	ZINC000021713594	531588192	/nfs/dbraw/zinc/58/81/92/531588192.db2.gz	XOOCRKZKYRWZDG-HNNXBMFYSA-N	-1	0	392.487	2.354	50	10		GECARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1	ZINC000023550177	531599289	/nfs/dbraw/zinc/59/92/89/531599289.db2.gz	MHBUUPGUNAGPHY-GHXNOFRVSA-N	-1	0	375.178	2.322	50	10		GECARM
Nc1c2c(c(Br)cc1S(=O)(=O)[O-])C(=O)c1ccccc1C2=O	ZINC000003850740	204020929	/nfs/dbraw/zinc/02/09/29/204020929.db2.gz	QZZSAWGVHXXMID-UHFFFAOYSA-N	-1	0	382.191	2.053	50	10		GECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1	ZINC000005593976	204141291	/nfs/dbraw/zinc/14/12/91/204141291.db2.gz	HFHNGSSBLYLGJI-NBVRZTHBSA-N	-1	0	392.415	2.102	50	10		GECARM
COc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1	ZINC000002892670	570317110	/nfs/dbraw/zinc/31/71/10/570317110.db2.gz	YYFZGROHKKXYOU-UVTDQMKNSA-N	-1	0	385.351	2.422	50	10		GECARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1	ZINC000006615232	570484738	/nfs/dbraw/zinc/48/47/38/570484738.db2.gz	NPUQUPLEKZQTRR-NBVRZTHBSA-N	-1	0	398.463	2.230	50	10		GECARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N3CCOCC3)cc2)n1	ZINC000000866356	570676752	/nfs/dbraw/zinc/67/67/52/570676752.db2.gz	QQVSZYDNTLGIGT-XUTLUUPISA-N	-1	0	376.442	2.225	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1	ZINC000001192482	570792371	/nfs/dbraw/zinc/79/23/71/570792371.db2.gz	MZDYZVLIYFBLOE-MHWRWJLKSA-N	-1	0	382.372	2.379	50	10		GECARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000001197336	570792860	/nfs/dbraw/zinc/79/28/60/570792860.db2.gz	OCNZJRDFTZAXJQ-LDADJPATSA-N	-1	0	379.416	2.423	50	10		GECARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000018128840	570805250	/nfs/dbraw/zinc/80/52/50/570805250.db2.gz	KFTRFYIMYZGVAB-YBEGLDIGSA-N	-1	0	382.351	2.363	50	10		GECARM
O=C(C(=C([O-])c1cccs1)C1(O)C(=O)c2ccccc2C1=O)C(F)(F)F	ZINC000102440025	570848499	/nfs/dbraw/zinc/84/84/99/570848499.db2.gz	RLEPVAHMXNIUNG-LLVKDONJSA-N	-1	0	382.315	2.489	50	10		GECARM
COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(OC)ccc3O)CC2)cc1	ZINC000032903936	570902859	/nfs/dbraw/zinc/90/28/59/570902859.db2.gz	RGKJWHFXZZMHPD-UHFFFAOYSA-N	-1	0	399.491	2.352	50	10		GECARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)c1	ZINC000001197251	206367149	/nfs/dbraw/zinc/36/71/49/206367149.db2.gz	CFNHXKJEWNBCPZ-OQLLNIDSSA-N	-1	0	382.372	2.379	50	10		GECARM
COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCC3)cc1OC	ZINC000006858535	206687329	/nfs/dbraw/zinc/68/73/29/206687329.db2.gz	JPSJYPDUVQYBSY-UHFFFAOYSA-N	-1	0	382.463	2.154	50	10		GECARM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc(OC)c1O	ZINC000017124034	207085392	/nfs/dbraw/zinc/08/53/92/207085392.db2.gz	XRACPSILLKEUDF-WQLSENKSSA-N	-1	0	398.371	2.289	50	10		GECARM
CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=N)N12	ZINC000020114604	207179127	/nfs/dbraw/zinc/17/91/27/207179127.db2.gz	SHSSDDCSZPUDJX-ZHFXUQJZSA-N	-1	0	376.419	2.090	50	10		GECARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000020028334	207174230	/nfs/dbraw/zinc/17/42/30/207174230.db2.gz	ZVDCYPHEMIDPGB-AQTBWJFISA-N	-1	0	388.427	2.463	50	10		GECARM
CCN1C(=O)C(=CNc2ccc(Cl)c(C(=O)[O-])c2)C(=O)N(CC)C1=S	ZINC000020254657	207186302	/nfs/dbraw/zinc/18/63/02/207186302.db2.gz	IZQTXGFQNPMRQX-UHFFFAOYSA-N	-1	0	381.841	2.330	50	10		GECARM
COc1ccc(NC=C2C(=O)NN=C2c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000100353853	208375961	/nfs/dbraw/zinc/37/59/61/208375961.db2.gz	RHTJTZTZNHYRLJ-PTNGSMBKSA-N	-1	0	390.399	2.083	50	10		GECARM
COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000100637632	136189086	/nfs/dbraw/zinc/18/90/86/136189086.db2.gz	OGPRHIYGNAHNIX-RAXLEYEMSA-N	-1	0	382.332	2.182	50	10		GECARM
Cn1c(=O)c(C2=NNC(=O)C2=Cc2ccccc2[N+](=O)[O-])c([O-])c2ccccc21	ZINC000100260854	534668608	/nfs/dbraw/zinc/66/86/08/534668608.db2.gz	GVGFXCWUDZMDFQ-RAXLEYEMSA-N	-1	0	390.355	2.070	50	10		GECARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3)C2=O)cc1	ZINC000001174678	536729813	/nfs/dbraw/zinc/72/98/13/536729813.db2.gz	GXRZWAQLCLALQV-LFIBNONCSA-N	-1	0	380.356	2.148	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1	ZINC000002892691	570316998	/nfs/dbraw/zinc/31/69/98/570316998.db2.gz	ZUABFOYICMEVNK-UVTDQMKNSA-N	-1	0	385.351	2.422	50	10		GECARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(I)o2)SC1=S	ZINC000002931957	570318792	/nfs/dbraw/zinc/31/87/92/570318792.db2.gz	HRCBSCHZOIVEAV-UTCJRWHESA-N	-1	0	395.199	2.170	50	10		GECARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCc3ccc(F)cc3)C2=O)c1	ZINC000005578248	570447432	/nfs/dbraw/zinc/44/74/32/570447432.db2.gz	FIRZUMQJVFLHRT-PTNGSMBKSA-N	-1	0	399.378	2.099	50	10		GECARM
CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000005654431	570450271	/nfs/dbraw/zinc/45/02/71/570450271.db2.gz	LOAJSOIWZQCVIA-ZROIWOOFSA-N	-1	0	380.356	2.480	50	10		GECARM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c1	ZINC000005981647	570811732	/nfs/dbraw/zinc/81/17/32/570811732.db2.gz	TUKGHZJZSMABSD-MHWRWJLKSA-N	-1	0	397.362	2.187	50	10		GECARM
CCN1C(=O)[N-]C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O	ZINC000004676262	570822517	/nfs/dbraw/zinc/82/25/17/570822517.db2.gz	DBCKBEFWSBMTEB-YBEGLDIGSA-N	-1	0	382.376	2.484	50	10		GECARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000018203994	207095514	/nfs/dbraw/zinc/09/55/14/207095514.db2.gz	ULBCFZRRYJXTOY-GZTJUZNOSA-N	-1	0	378.388	2.219	50	10		GECARM
COc1cc(OC)c(OC)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000016309510	221360936	/nfs/dbraw/zinc/36/09/36/221360936.db2.gz	KMMOIKCTQKLXDX-ZROIWOOFSA-N	-1	0	382.372	2.379	50	10		GECARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000100798746	136195993	/nfs/dbraw/zinc/19/59/93/136195993.db2.gz	WPSFHHJLGBVTNM-SFQUDFHCSA-N	-1	0	381.436	2.153	50	10		GECARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000100775852	136196063	/nfs/dbraw/zinc/19/60/63/136196063.db2.gz	LGHOCTJVZURYMT-GXDHUFHOSA-N	-1	0	382.351	2.363	50	10		GECARM
COc1ccc(N2C(=O)C(=CNc3cccc(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000013590622	536657291	/nfs/dbraw/zinc/65/72/91/536657291.db2.gz	WAHXELJEHGODEE-WJDWOHSUSA-N	-1	0	383.429	2.448	50	10		GECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1	ZINC000004826232	570294731	/nfs/dbraw/zinc/29/47/31/570294731.db2.gz	FFVWXPGYTIZUCO-MLPAPPSSSA-N	-1	0	395.327	2.298	50	10		GECARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000001152949	206361487	/nfs/dbraw/zinc/36/14/87/206361487.db2.gz	MRLJMXMLZXSWHF-AQTBWJFISA-N	-1	0	395.390	2.329	50	10		GECARM
CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CCCS(=O)(=O)[O-])OC1=S	ZINC000003667857	206493967	/nfs/dbraw/zinc/49/39/67/206493967.db2.gz	MSZQTOOQNSMRCD-PFONDFGASA-N	-1	0	394.474	2.173	50	10		GECARM
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)c(C)c1	ZINC000013893103	207005125	/nfs/dbraw/zinc/00/51/25/207005125.db2.gz	JDVLZTDNDAHTBN-YBEGLDIGSA-N	-1	0	395.415	2.281	50	10		GECARM
O=C(Cn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21)NCc1ccco1	ZINC000018181721	207093948	/nfs/dbraw/zinc/09/39/48/207093948.db2.gz	CIWAJXCATCIISX-UHFFFAOYSA-N	-1	0	392.371	2.140	50	10		GECARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1O	ZINC000002233590	136193397	/nfs/dbraw/zinc/19/33/97/136193397.db2.gz	UKZJQJGZGZDRNJ-QPEQYQDCSA-N	-1	0	386.335	2.215	50	10		GECARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1O	ZINC000001174826	136196173	/nfs/dbraw/zinc/19/61/73/136196173.db2.gz	BARRCDBLZHTYCF-WUXMJOGZSA-N	-1	0	388.763	2.426	50	10		GECARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)C2=O)c1	ZINC000004833561	570309582	/nfs/dbraw/zinc/30/95/82/570309582.db2.gz	MNZLBHNRJDGKIG-AUWJEWJLSA-N	-1	0	398.371	2.084	50	10		GECARM
COc1ccc(C=C2C(=O)NN=C2c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000003850449	570352136	/nfs/dbraw/zinc/35/21/36/570352136.db2.gz	PVBZILYSJWAIGJ-PTNGSMBKSA-N	-1	0	375.384	2.170	50	10		GECARM
CN(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Br	ZINC000004725717	570398373	/nfs/dbraw/zinc/39/83/73/570398373.db2.gz	TXYIKEXNOKQGAH-HWKANZROSA-N	-1	0	381.186	2.383	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000005061795	570427537	/nfs/dbraw/zinc/42/75/37/570427537.db2.gz	FQHXLKYJMQHOJW-ZROIWOOFSA-N	-1	0	397.343	2.278	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000103844521	570889484	/nfs/dbraw/zinc/88/94/84/570889484.db2.gz	IEYSCFSSKQSULR-LFIBNONCSA-N	-1	0	383.429	2.448	50	10		GECARM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000104213630	570897552	/nfs/dbraw/zinc/89/75/52/570897552.db2.gz	MWCRHYPMXWHAFH-JLHYYAGUSA-N	-1	0	382.332	2.182	50	10		GECARM
COc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000009245096	206312564	/nfs/dbraw/zinc/31/25/64/206312564.db2.gz	DDAKOTHPMXHPST-OAQYLSRUSA-N	-1	0	379.416	2.265	50	10		GECARM
CCCN1c2ccccc2/C(=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)C1=O	ZINC000001281989	206371317	/nfs/dbraw/zinc/37/13/17/206371317.db2.gz	CHBPSJFLJDCGDA-MMZVIXLHSA-N	-1	0	376.459	2.488	50	10		GECARM
COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)C(=O)[N-]C2=S)c1	ZINC000001197559	206366978	/nfs/dbraw/zinc/36/69/78/206366978.db2.gz	VGABICFKNTVWTA-RIYZIHGNSA-N	-1	0	384.413	2.241	50	10		GECARM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1O	ZINC000001228633	206368795	/nfs/dbraw/zinc/36/87/95/206368795.db2.gz	DAHQAAXZCHEVRS-RAXLEYEMSA-N	-1	0	382.372	2.466	50	10		GECARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1O	ZINC000001225769	206369003	/nfs/dbraw/zinc/36/90/03/206369003.db2.gz	NUFDWCDIBRIVOG-XNTDXEJSSA-N	-1	0	382.372	2.466	50	10		GECARM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1ccccc1[N+](=O)[O-]	ZINC000001233129	206369376	/nfs/dbraw/zinc/36/93/76/206369376.db2.gz	CSFKYQLOKWGOPW-UHFFFAOYSA-N	-1	0	381.300	2.404	50	10		GECARM
COc1cc2c(cc1C=C1C(=O)[N-]C(=O)N(c3cccc(F)c3)C1=O)OCO2	ZINC000001274698	206371058	/nfs/dbraw/zinc/37/10/58/206371058.db2.gz	ZTHMTWVDOFDVOM-WLRTZDKTSA-N	-1	0	384.319	2.434	50	10		GECARM
Cc1cc2sc(=NC=C3C(=O)[N-]C(=O)NC3=O)[nH]c2c(Br)c1	ZINC000013999613	207007306	/nfs/dbraw/zinc/00/73/06/207007306.db2.gz	YHEHBJDJJBURGY-UHFFFAOYSA-N	-1	0	381.211	2.029	50	10		GECARM
C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)ccc2O1	ZINC000016810415	207078591	/nfs/dbraw/zinc/07/85/91/207078591.db2.gz	NZABWYPZUVESCR-PGEKAQRJSA-N	-1	0	385.488	2.099	50	10		GECARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005763076	570275978	/nfs/dbraw/zinc/27/59/78/570275978.db2.gz	JXBBCWKOZOBZGX-ZROIWOOFSA-N	-1	0	399.790	2.325	50	10		GECARM
O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N1	ZINC000002903580	570317739	/nfs/dbraw/zinc/31/77/39/570317739.db2.gz	ARTDKNOKUCUDET-UHFFFAOYSA-N	-1	0	376.347	2.428	50	10		GECARM
CN(C)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000006419246	570405781	/nfs/dbraw/zinc/40/57/81/570405781.db2.gz	XJANBDHHVDRTNK-GZTJUZNOSA-N	-1	0	382.395	2.466	50	10		GECARM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000004704646	570853744	/nfs/dbraw/zinc/85/37/44/570853744.db2.gz	WKPXMCLTUSSQER-UHFFFAOYSA-N	-1	0	381.388	2.226	50	10		GECARM
Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000004711756	570857980	/nfs/dbraw/zinc/85/79/80/570857980.db2.gz	ZQYKOOCNVGCRPK-UHFFFAOYSA-N	-1	0	383.429	2.015	50	10		GECARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000001066991	206348328	/nfs/dbraw/zinc/34/83/28/206348328.db2.gz	GIGCPJMUNFBDRK-MHWRWJLKSA-N	-1	0	396.399	2.374	50	10		GECARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1OC	ZINC000001192415	206365607	/nfs/dbraw/zinc/36/56/07/206365607.db2.gz	FHWXBZMNZBKKOL-SDNWHVSQSA-N	-1	0	382.372	2.379	50	10		GECARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C	ZINC000016160969	207073069	/nfs/dbraw/zinc/07/30/69/207073069.db2.gz	GPKDRCXJYYHHRD-SXGWCWSVSA-N	-1	0	390.399	2.381	50	10		GECARM
NC(=O)COc1cccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)c1	ZINC000020110062	207179067	/nfs/dbraw/zinc/17/90/67/207179067.db2.gz	LLSOZISZXBZEQY-OVCLIPMQSA-N	-1	0	397.412	2.331	50	10		GECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N(C)C)cc3)C2=O)cc1	ZINC000095471541	136179397	/nfs/dbraw/zinc/17/93/97/136179397.db2.gz	HKJOANUUIOPAAA-ATVHPVEESA-N	-1	0	392.415	2.276	50	10		GECARM
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)C(=O)[N-]C2=S)cc1	ZINC000005044070	536660138	/nfs/dbraw/zinc/66/01/38/536660138.db2.gz	LQNGVRRSQDYDKR-ZROIWOOFSA-N	-1	0	384.413	2.241	50	10		GECARM
CCN1C(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)[O-])cc2C1=O	ZINC000004173376	570360833	/nfs/dbraw/zinc/36/08/33/570360833.db2.gz	FNDLYJQFOLDVKB-UHFFFAOYSA-N	-1	0	398.371	2.270	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3OC)OCO4)C2=O)cc1	ZINC000004949574	570379693	/nfs/dbraw/zinc/37/96/93/570379693.db2.gz	XZHONRWAHOAFGC-AUWJEWJLSA-N	-1	0	396.355	2.099	50	10		GECARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(I)o2)SC1=S	ZINC000002931955	570522142	/nfs/dbraw/zinc/52/21/42/570522142.db2.gz	HRCBSCHZOIVEAV-ZZXKWVIFSA-N	-1	0	395.199	2.170	50	10		GECARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1	ZINC000004815026	570540649	/nfs/dbraw/zinc/54/06/49/570540649.db2.gz	RIKBSDKJZWWSCZ-GHXNOFRVSA-N	-1	0	375.337	2.457	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])c1	ZINC000005611561	570668958	/nfs/dbraw/zinc/66/89/58/570668958.db2.gz	QRFXOWANQNEVSD-JLHYYAGUSA-N	-1	0	382.332	2.182	50	10		GECARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(O)c(Cl)c1	ZINC000004703310	570854181	/nfs/dbraw/zinc/85/41/81/570854181.db2.gz	PFPHTZUQXVGUFH-VZUCSPMQSA-N	-1	0	386.747	2.441	50	10		GECARM
COc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c1	ZINC000103843200	570889508	/nfs/dbraw/zinc/88/95/08/570889508.db2.gz	VRLDHTBXWUVFPS-SDNWHVSQSA-N	-1	0	383.429	2.448	50	10		GECARM
CN(C)c1ccc([C@H]2[C@@H](S(=O)(=O)NCc3ccccc3)CON2C)cc1	ZINC000105025067	570913518	/nfs/dbraw/zinc/91/35/18/570913518.db2.gz	IXYXABYOUUTKPQ-OALUTQOASA-N	-1	0	375.494	2.159	50	10		GECARM
COc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1N1CCCC1=O	ZINC000083923398	570979863	/nfs/dbraw/zinc/97/98/63/570979863.db2.gz	DHXMUOOLQHHBEU-UHFFFAOYSA-N	-1	0	388.405	2.159	50	10		GECARM
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000000980482	206338954	/nfs/dbraw/zinc/33/89/54/206338954.db2.gz	BNHXFANJVANERV-UHFFFAOYSA-N	-1	0	397.456	2.391	50	10		GECARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C	ZINC000001216442	206368410	/nfs/dbraw/zinc/36/84/10/206368410.db2.gz	FYKUTQMGKSGWBF-MKMNVTDBSA-N	-1	0	381.344	2.402	50	10		GECARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1	ZINC000020841867	207214465	/nfs/dbraw/zinc/21/44/65/207214465.db2.gz	VPLAOHISIALBSP-HGLWPWQMSA-N	-1	0	397.479	2.408	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1	ZINC000100744774	524379919	/nfs/dbraw/zinc/37/99/19/524379919.db2.gz	CNTCWQXGEZAJLX-RVDMUPIBSA-N	-1	0	397.387	2.291	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)cc1	ZINC000098086268	536655944	/nfs/dbraw/zinc/65/59/44/536655944.db2.gz	LCPYGQRWPFGASS-LFIBNONCSA-N	-1	0	383.429	2.448	50	10		GECARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1O	ZINC000036081869	570528946	/nfs/dbraw/zinc/52/89/46/570528946.db2.gz	UKZJQJGZGZDRNJ-NTUHNPAUSA-N	-1	0	386.335	2.215	50	10		GECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)cc1	ZINC000008739601	570538972	/nfs/dbraw/zinc/53/89/72/570538972.db2.gz	JBYCNZQIYIBATE-FOWTUZBSSA-N	-1	0	381.388	2.295	50	10		GECARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)CC1	ZINC000013522605	570756615	/nfs/dbraw/zinc/75/66/15/570756615.db2.gz	USORFARWKLUVEX-VBKFSLOCSA-N	-1	0	399.447	2.045	50	10		GECARM
Cc1ccccc1N1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)[N-]C1=S	ZINC000005928076	570804414	/nfs/dbraw/zinc/80/44/14/570804414.db2.gz	IQFZZNLXEHYUFI-UVTDQMKNSA-N	-1	0	395.440	2.145	50	10		GECARM
CCCCN1C(=O)[N-]C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	ZINC000102495279	570849640	/nfs/dbraw/zinc/84/96/40/570849640.db2.gz	BSNVSNAXFKVAOY-QINSGFPZSA-N	-1	0	397.435	2.499	50	10		GECARM
Cc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1C(=O)[O-]	ZINC000055679226	600811407	/nfs/dbraw/zinc/81/14/07/600811407.db2.gz	FVWGIVYZRHIVBM-UHFFFAOYSA-N	-1	0	376.434	2.331	50	10		GECARM
O=C1/C(=C/c2cccnc2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000006184446	531524092	/nfs/dbraw/zinc/52/40/92/531524092.db2.gz	XIXDZWZPDINDFE-LCYFTJDESA-N	-1	0	377.472	2.176	50	10		GECARM
CCn1c2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2oc1=O	ZINC000015864791	207065301	/nfs/dbraw/zinc/06/53/01/207065301.db2.gz	VEHZIODMMPBAKE-UHFFFAOYSA-N	-1	0	376.419	2.420	50	10		GECARM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C1/C(=O)Nc2ccccc21	ZINC000020477702	207195862	/nfs/dbraw/zinc/19/58/62/207195862.db2.gz	OHJHTYUYGIQFIJ-BUHFOSPRSA-N	-1	0	384.189	2.233	50	10		GECARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000003005194	570325833	/nfs/dbraw/zinc/32/58/33/570325833.db2.gz	XEPWMOGNRFYBQF-ATVHPVEESA-N	-1	0	393.399	2.438	50	10		GECARM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1	ZINC000004682278	570829108	/nfs/dbraw/zinc/82/91/08/570829108.db2.gz	CMEUGDZETMLOAZ-XNTDXEJSSA-N	-1	0	380.379	2.487	50	10		GECARM
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)[N-]C2=S)c(OC)c1	ZINC000001134428	206357056	/nfs/dbraw/zinc/35/70/56/206357056.db2.gz	RJKFPDVVZYCWIQ-OQLLNIDSSA-N	-1	0	399.472	2.490	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)ccc3OC)C2=O)cc1	ZINC000001192486	206364757	/nfs/dbraw/zinc/36/47/57/206364757.db2.gz	DHGMFNIFGZPLGY-LFIBNONCSA-N	-1	0	382.372	2.379	50	10		GECARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S	ZINC000001236234	206370701	/nfs/dbraw/zinc/37/07/01/206370701.db2.gz	PFVQMUISTIVVHL-LPJIALBHSA-N	-1	0	376.459	2.488	50	10		GECARM
COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc(OC)c1OC	ZINC000015357257	207049915	/nfs/dbraw/zinc/04/99/15/207049915.db2.gz	WCAHFSNHSNCRPZ-LQGZHCLWSA-N	-1	0	383.447	2.387	50	10		GECARM
O=c1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2[nH]1	ZINC000097944368	136188702	/nfs/dbraw/zinc/18/87/02/136188702.db2.gz	LTMINBSQCXAWMQ-WQLSENKSSA-N	-1	0	397.778	2.088	50	10		GECARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)c1	ZINC000005043811	136196721	/nfs/dbraw/zinc/19/67/21/136196721.db2.gz	CFNHXKJEWNBCPZ-DHDCSXOGSA-N	-1	0	382.372	2.379	50	10		GECARM
Cn1c(=O)c(C2=NNC(=O)C2=Cc2ccc([N+](=O)[O-])cc2)c([O-])c2ccccc21	ZINC000100260955	534668551	/nfs/dbraw/zinc/66/85/51/534668551.db2.gz	RYKSBKGVFXPLIB-UVTDQMKNSA-N	-1	0	390.355	2.070	50	10		GECARM
Cc1cc(O)c(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)cc1NS(C)(=O)=O	ZINC000011615809	570236202	/nfs/dbraw/zinc/23/62/02/570236202.db2.gz	UDDJHKJAHTYANE-LBPRGKRZSA-N	-1	0	397.371	2.239	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OC)C2=O)cc1	ZINC000005198045	570500107	/nfs/dbraw/zinc/50/01/07/570500107.db2.gz	RMFDEMMHWRVKJI-PTNGSMBKSA-N	-1	0	382.372	2.379	50	10		GECARM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1	ZINC000001216911	570714126	/nfs/dbraw/zinc/71/41/26/570714126.db2.gz	WYBXUJROYCSVGR-UHFFFAOYSA-N	-1	0	381.300	2.404	50	10		GECARM
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001178148	570790468	/nfs/dbraw/zinc/79/04/68/570790468.db2.gz	SGBRCUDVNMXLRY-UHFFFAOYSA-N	-1	0	388.383	2.297	50	10		GECARM
COc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccnc2)C1=O	ZINC000004678251	570823756	/nfs/dbraw/zinc/82/37/56/570823756.db2.gz	QGXQSKYBDKAICI-GZTJUZNOSA-N	-1	0	392.415	2.357	50	10		GECARM
Cc1c2c(cc(=O)n1Cc1ccco1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669458703	570958403	/nfs/dbraw/zinc/95/84/03/570958403.db2.gz	FISMMBUEABWPDP-UHFFFAOYSA-O	-1	0	379.421	2.105	50	10		GECARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C2/c3ccccc3N(C)C2=O)SC1=S	ZINC000001793727	531503628	/nfs/dbraw/zinc/50/36/28/531503628.db2.gz	PFVQMUISTIVVHL-UMAGAQSHSA-N	-1	0	376.459	2.488	50	10		GECARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)cc1O	ZINC000013477232	531560409	/nfs/dbraw/zinc/56/04/09/531560409.db2.gz	DFMYIYQSNNHFFR-QPEQYQDCSA-N	-1	0	375.178	2.322	50	10		GECARM
O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000002533631	209367613	/nfs/dbraw/zinc/36/76/13/209367613.db2.gz	YFGBJUZWFSVVBI-JYRVWZFOSA-N	-1	0	383.472	2.094	50	10		GECARM
C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCS(=O)(=O)[O-])C3=O)ccc2O1	ZINC000002232550	209350908	/nfs/dbraw/zinc/35/09/08/209350908.db2.gz	NZABWYPZUVESCR-ITTMYVLYSA-N	-1	0	385.488	2.099	50	10		GECARM
O=C(Cn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21)Nc1ccccc1	ZINC000001211467	209314391	/nfs/dbraw/zinc/31/43/91/209314391.db2.gz	GDWWIULKFMLVBC-UHFFFAOYSA-N	-1	0	388.383	2.029	50	10		GECARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)cc1	ZINC000001197356	209313467	/nfs/dbraw/zinc/31/34/67/209313467.db2.gz	NIYLZYCUNNTERQ-LICLKQGHSA-N	-1	0	396.399	2.374	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OC)C2=O)cc1	ZINC000001192439	209311864	/nfs/dbraw/zinc/31/18/64/209311864.db2.gz	RMFDEMMHWRVKJI-RVDMUPIBSA-N	-1	0	382.372	2.379	50	10		GECARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000001066996	209295245	/nfs/dbraw/zinc/29/52/45/209295245.db2.gz	JTVBLQYVMYWICV-OVCLIPMQSA-N	-1	0	380.356	2.086	50	10		GECARM
COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000000969848	209284611	/nfs/dbraw/zinc/28/46/11/209284611.db2.gz	OJZNPCRNWONEBY-XYOKQWHBSA-N	-1	0	383.447	2.388	50	10		GECARM
CN(C)/N=N/c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000000850346	209271294	/nfs/dbraw/zinc/27/12/94/209271294.db2.gz	DOMVEXKTZKRJQW-IGGDJGDASA-N	-1	0	376.438	2.221	50	10		GECARM
O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1ccco1	ZINC000000824604	209269059	/nfs/dbraw/zinc/26/90/59/209269059.db2.gz	ICXSQLMTZJHQAZ-WQLSENKSSA-N	-1	0	380.141	2.346	50	10		GECARM
COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000004813719	570407709	/nfs/dbraw/zinc/40/77/09/570407709.db2.gz	WNFOHGBBVVHJFR-RIYZIHGNSA-N	-1	0	384.344	2.019	50	10		GECARM
O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1	ZINC000004598886	570631604	/nfs/dbraw/zinc/63/16/04/570631604.db2.gz	OBAKMGSMGISYOD-UHFFFAOYSA-N	-1	0	375.384	2.470	50	10		GECARM
COc1ccccc1-c1nn(-c2ccccc2)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000241466209	570687042	/nfs/dbraw/zinc/68/70/42/570687042.db2.gz	NVOIJOLJCPCJDA-UHFFFAOYSA-N	-1	0	388.383	2.297	50	10		GECARM
O=C1[N-]C(=O)C(=CNc2cc(C(F)(F)F)ccc2N2CCCCC2)C(=O)N1	ZINC000007737305	571027741	/nfs/dbraw/zinc/02/77/41/571027741.db2.gz	PXAWXBXJWBXHKG-UHFFFAOYSA-N	-1	0	382.342	2.358	50	10		GECARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(O)c(Cl)c1	ZINC000015013023	210143240	/nfs/dbraw/zinc/14/32/40/210143240.db2.gz	PFPHTZUQXVGUFH-WZUFQYTHSA-N	-1	0	386.747	2.441	50	10		GECARM
O=C1c2ccccc2C(=O)c2c(Br)cc(S(=O)(=O)[O-])c(O)c21	ZINC000004016166	531510400	/nfs/dbraw/zinc/51/04/00/531510400.db2.gz	XCFYQFDCLHYOQD-UHFFFAOYSA-N	-1	0	383.175	2.177	50	10		GECARM
CN1C(=O)C(=Cc2cc(Cl)c([O-])c(Br)c2)C(=O)N(C)C1=S	ZINC000009311491	531550056	/nfs/dbraw/zinc/55/00/56/531550056.db2.gz	JJMHXSJTWDCGRU-UHFFFAOYSA-N	-1	0	389.658	2.407	50	10		GECARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3cccc(OC)c3O)C2=O)cc1	ZINC000001191645	209312230	/nfs/dbraw/zinc/31/22/30/209312230.db2.gz	GLWOGKIZYURPSC-RVDMUPIBSA-N	-1	0	382.372	2.039	50	10		GECARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000001153591	209307898	/nfs/dbraw/zinc/30/78/98/209307898.db2.gz	GUECJCAIFGYAEH-NBVRZTHBSA-N	-1	0	383.448	2.318	50	10		GECARM
CC(C)c1ccc(N2C(=O)C(=CNCCCn3ccnc3)C(=O)[N-]C2=S)cc1	ZINC000020025822	210312302	/nfs/dbraw/zinc/31/23/02/210312302.db2.gz	XWACFPZWIGTJRC-SFQUDFHCSA-N	-1	0	397.504	2.318	50	10		GECARM
Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3nc(-c4ccccn4)cs3)cc21	ZINC000006659103	570486304	/nfs/dbraw/zinc/48/63/04/570486304.db2.gz	DYUQTKINXYBPKG-UHFFFAOYSA-N	-1	0	388.430	2.451	50	10		GECARM
Cc1ccc(C(=O)n2[n-]c(-c3ccccc3O)c(CN3CCOCC3)c2=O)cc1	ZINC000248137241	570721006	/nfs/dbraw/zinc/72/10/06/570721006.db2.gz	DCETZMIMCNOGBU-GOSISDBHSA-N	-1	0	393.443	2.036	50	10		GECARM
CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000170594356	570852317	/nfs/dbraw/zinc/85/23/17/570852317.db2.gz	LCFATDAVVDZLMU-UHFFFAOYSA-N	-1	0	384.341	2.417	50	10		GECARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1	ZINC000004755049	570966861	/nfs/dbraw/zinc/96/68/61/570966861.db2.gz	YKKGJGVYVHILBJ-QPEQYQDCSA-N	-1	0	396.355	2.099	50	10		GECARM
O=C([O-])CCNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	ZINC000002707625	531504612	/nfs/dbraw/zinc/50/46/12/531504612.db2.gz	CMDKMMIILOBBMW-XOHVCTMJSA-N	-1	0	376.459	2.035	50	10		GECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S	ZINC000001235884	209317380	/nfs/dbraw/zinc/31/73/80/209317380.db2.gz	ICRQMQBVDGOOFY-KLDSGFLGSA-N	-1	0	376.459	2.344	50	10	in-vitro	GECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C1\C(=O)Nc2ccc(Br)cc21	ZINC000019831009	210299967	/nfs/dbraw/zinc/29/99/67/210299967.db2.gz	HGCFBROYEGRIDV-YPKPFQOOSA-N	-1	0	384.189	2.233	50	10		GECARM
COc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c1	ZINC000002892664	136193556	/nfs/dbraw/zinc/19/35/56/136193556.db2.gz	VRLDHTBXWUVFPS-KAMYIIQDSA-N	-1	0	383.429	2.448	50	10		GECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)cc1C	ZINC000001093102	136196252	/nfs/dbraw/zinc/19/62/52/136196252.db2.gz	VBXTVVKOHLNUQK-SFQUDFHCSA-N	-1	0	395.415	2.399	50	10		GECARM
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1	ZINC000004456509	570375630	/nfs/dbraw/zinc/37/56/30/570375630.db2.gz	HTWCYUCFLQNYEI-ZSOIEALJSA-N	-1	0	382.397	2.255	50	10		GECARM
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)[N-]C2=S)cc1	ZINC000005044076	570405254	/nfs/dbraw/zinc/40/52/54/570405254.db2.gz	NMWCLRVVXULFKV-WQLSENKSSA-N	-1	0	389.414	2.496	50	10		GECARM
COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000005611534	570668543	/nfs/dbraw/zinc/66/85/43/570668543.db2.gz	OGPRHIYGNAHNIX-JLHYYAGUSA-N	-1	0	382.332	2.182	50	10		GECARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000101052129	570788281	/nfs/dbraw/zinc/78/82/81/570788281.db2.gz	JRMDLOAMGUBYNV-LICLKQGHSA-N	-1	0	396.378	2.359	50	10		GECARM
[O-]c1c(Br)cc(Br)cc1CN1CCN(CCO)CC1	ZINC000022586634	642408713	/nfs/dbraw/zinc/40/87/13/642408713.db2.gz	IKFLRSVQSSENPO-UHFFFAOYSA-N	-1	0	394.107	2.027	50	10		GECARM
COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000013693501	210080720	/nfs/dbraw/zinc/08/07/20/210080720.db2.gz	LZRRNNQKQHFDJQ-IZZDOVSWSA-N	-1	0	376.415	2.240	50	10		GECARM
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(O)=C1SC(=S)[N-]C1=O	ZINC000138038937	532291075	/nfs/dbraw/zinc/29/10/75/532291075.db2.gz	PGTCGZXNHREYSE-MRVPVSSYSA-N	-1	0	382.772	2.383	50	10		GECARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1	ZINC000001213932	209315153	/nfs/dbraw/zinc/31/51/53/209315153.db2.gz	MHBUUPGUNAGPHY-KPKJPENVSA-N	-1	0	375.178	2.322	50	10		GECARM
Cc1cc(=O)oc2c1ccc([O-])c2CN1CCn2c(nnc2C(F)(F)F)C1	ZINC000095480183	211248932	/nfs/dbraw/zinc/24/89/32/211248932.db2.gz	ZXBIJHRPVLMUTM-UHFFFAOYSA-N	-1	0	380.326	2.433	50	10		GECARM
COC(=O)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000012363730	221184388	/nfs/dbraw/zinc/18/43/88/221184388.db2.gz	XLUQWNKHOKHJOD-RAXLEYEMSA-N	-1	0	384.388	2.444	50	10		GECARM
O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000006276562	570240900	/nfs/dbraw/zinc/24/09/00/570240900.db2.gz	MDNZROCOAKNSHW-OQLLNIDSSA-N	-1	0	399.403	2.263	50	10		GECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1C	ZINC000006131732	570276303	/nfs/dbraw/zinc/27/63/03/570276303.db2.gz	GUEPIWDKJAEBFE-MHWRWJLKSA-N	-1	0	393.399	2.289	50	10		GECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N(C)C)cc3)C2=O)c1	ZINC000004852163	570347451	/nfs/dbraw/zinc/34/74/51/570347451.db2.gz	PAQVTMLPCYVPLB-ATVHPVEESA-N	-1	0	392.415	2.276	50	10		GECARM
O=C1/C(=C/c2ccccn2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000005478376	570608539	/nfs/dbraw/zinc/60/85/39/570608539.db2.gz	NSADENOHRVDXBR-RAXLEYEMSA-N	-1	0	377.472	2.176	50	10		GECARM
CCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)[O-]	ZINC000004610608	570667588	/nfs/dbraw/zinc/66/75/88/570667588.db2.gz	XBPWTKOMNMPTHD-OAHLLOKOSA-N	-1	0	387.413	2.457	50	10		GECARM
Cc1cc(C)c(N2C(=O)C(=CNCc3cccnc3)C(=O)[N-]C2=S)c(C)c1	ZINC000005625872	570672379	/nfs/dbraw/zinc/67/23/79/570672379.db2.gz	ZTIPKRJQDWFAMZ-LFIBNONCSA-N	-1	0	380.473	2.428	50	10		GECARM
Cc1ccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1	ZINC000005626003	570673525	/nfs/dbraw/zinc/67/35/25/570673525.db2.gz	YSNJJEMLIAIXSX-GDNBJRDFSA-N	-1	0	395.440	2.145	50	10		GECARM
CCN(CC)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2)cc1	ZINC000101495627	570825568	/nfs/dbraw/zinc/82/55/68/570825568.db2.gz	GZTBPKWHLVRHNT-AWEZNQCLSA-N	-1	0	387.509	2.444	50	10		GECARM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(CCCC(=O)[O-])C2=O)C1=O	ZINC000016661286	210192882	/nfs/dbraw/zinc/19/28/82/210192882.db2.gz	LFKCTVGHCSUFQG-YPKPFQOOSA-N	-1	0	390.442	2.016	50	10		GECARM
COc1cc(N2CCCC2)ccc1/C=C1/C(=O)[N-]C(=O)N(c2cccnc2)C1=O	ZINC000015013710	210142929	/nfs/dbraw/zinc/14/29/29/210142929.db2.gz	QGXQSKYBDKAICI-BOPFTXTBSA-N	-1	0	392.415	2.357	50	10		GECARM
COc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000012504552	209964618	/nfs/dbraw/zinc/96/46/18/209964618.db2.gz	OJZNPCRNWONEBY-WQLSENKSSA-N	-1	0	383.447	2.388	50	10		GECARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)c1	ZINC000001067055	209295408	/nfs/dbraw/zinc/29/54/08/209295408.db2.gz	RVQNFKFJIJQYKL-CXUHLZMHSA-N	-1	0	382.372	2.379	50	10		GECARM
COc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000009245097	209255507	/nfs/dbraw/zinc/25/55/07/209255507.db2.gz	DDAKOTHPMXHPST-NRFANRHFSA-N	-1	0	379.416	2.265	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3OC)C2=O)cc1	ZINC000334161292	209177893	/nfs/dbraw/zinc/17/78/93/209177893.db2.gz	YRTHVMKUSGISJQ-XNTDXEJSSA-N	-1	0	397.343	2.278	50	10		GECARM
O=C(C(=C([O-])c1cccs1)C1(O)C(=O)c2ccccc2C1=O)C(F)(F)F	ZINC000102440023	211411694	/nfs/dbraw/zinc/41/16/94/211411694.db2.gz	RLEPVAHMXNIUNG-NSHDSACASA-N	-1	0	382.315	2.489	50	10		GECARM
COc1ccccc1C=C1C(=O)NN=C1c1c([O-])c2ccccc2n(C)c1=O	ZINC000100287986	211386326	/nfs/dbraw/zinc/38/63/26/211386326.db2.gz	ZJGRYAFEOTWHEF-KAMYIIQDSA-N	-1	0	375.384	2.170	50	10		GECARM
COc1cccc(C=C2C(=O)NN=C2c2c([O-])c3ccccc3n(C)c2=O)c1	ZINC000100353698	211386111	/nfs/dbraw/zinc/38/61/11/211386111.db2.gz	MIKXUMLYOXYPDW-PTNGSMBKSA-N	-1	0	375.384	2.170	50	10		GECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1	ZINC000012659378	136200627	/nfs/dbraw/zinc/20/06/27/136200627.db2.gz	NDDMIHNQRKCUAR-HGLWPWQMSA-N	-1	0	391.431	2.280	50	10		GECARM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000002975175	570321263	/nfs/dbraw/zinc/32/12/63/570321263.db2.gz	AQZRGGQBZPNMJB-UHFFFAOYSA-N	-1	0	381.388	2.226	50	10		GECARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1	ZINC000001155778	570537450	/nfs/dbraw/zinc/53/74/50/570537450.db2.gz	OUOLMNSJHNTLKQ-WJDWOHSUSA-N	-1	0	395.415	2.436	50	10		GECARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1	ZINC000034926546	570548276	/nfs/dbraw/zinc/54/82/76/570548276.db2.gz	SNBXYXXJLCYGHH-UHFFFAOYSA-N	-1	0	397.475	2.243	50	10		GECARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000005472909	570605450	/nfs/dbraw/zinc/60/54/50/570605450.db2.gz	ICPQYYKRCGLZAA-WJDWOHSUSA-N	-1	0	396.399	2.099	50	10		GECARM
Cc1cccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)c1	ZINC000005626108	570674539	/nfs/dbraw/zinc/67/45/39/570674539.db2.gz	YGTGUWUWPFQPJL-GDNBJRDFSA-N	-1	0	395.440	2.145	50	10		GECARM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(-n3cncn3)c(F)c2)SC1=S	ZINC000024929592	642419780	/nfs/dbraw/zinc/41/97/80/642419780.db2.gz	HDLJNZMVZMITBF-WUXMJOGZSA-N	-1	0	378.410	2.082	50	10		GECARM
C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)ccc2O1	ZINC000016810417	210197196	/nfs/dbraw/zinc/19/71/96/210197196.db2.gz	NZABWYPZUVESCR-LMRAXHDRSA-N	-1	0	385.488	2.099	50	10		GECARM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c1O	ZINC000013892675	210095909	/nfs/dbraw/zinc/09/59/09/210095909.db2.gz	UURQDOCRRKLJNP-NVNXTCNLSA-N	-1	0	383.360	2.387	50	10		GECARM
CCc1nnc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)s1	ZINC000013564321	210068349	/nfs/dbraw/zinc/06/83/49/210068349.db2.gz	UZGIJNFMPKZIGX-YFHOEESVSA-N	-1	0	377.813	2.333	50	10		GECARM
CN(C)c1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c1	ZINC000002892742	209394872	/nfs/dbraw/zinc/39/48/72/209394872.db2.gz	VYFKUNAHIPZZMF-BOPFTXTBSA-N	-1	0	382.395	2.466	50	10		GECARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1	ZINC000002308574	209356635	/nfs/dbraw/zinc/35/66/35/209356635.db2.gz	PUBQRFATGGQQGW-AQTBWJFISA-N	-1	0	392.415	2.262	50	10		GECARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S	ZINC000001236232	209317700	/nfs/dbraw/zinc/31/77/00/209317700.db2.gz	PFVQMUISTIVVHL-IBPBOOLHSA-N	-1	0	376.459	2.488	50	10		GECARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000001213709	209314717	/nfs/dbraw/zinc/31/47/17/209314717.db2.gz	HQXHWFYOZSVAOL-UUILKARUSA-N	-1	0	387.735	2.438	50	10		GECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1	ZINC000008995915	136195918	/nfs/dbraw/zinc/19/59/18/136195918.db2.gz	NDDMIHNQRKCUAR-UMADGWCESA-N	-1	0	391.431	2.485	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000002892883	536655732	/nfs/dbraw/zinc/65/57/32/536655732.db2.gz	IEYSCFSSKQSULR-WJDWOHSUSA-N	-1	0	383.429	2.448	50	10		GECARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCCO2	ZINC000004470363	570376227	/nfs/dbraw/zinc/37/62/27/570376227.db2.gz	HHLLOWQVGBNJEL-ZROIWOOFSA-N	-1	0	384.388	2.428	50	10		GECARM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O	ZINC000004704546	570395898	/nfs/dbraw/zinc/39/58/98/570395898.db2.gz	JQKOPTXJJMPRIZ-QPEQYQDCSA-N	-1	0	396.355	2.186	50	10		GECARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cccc(OC)c3O)C2=O)cc1	ZINC000005009697	570423736	/nfs/dbraw/zinc/42/37/36/570423736.db2.gz	GLWOGKIZYURPSC-PTNGSMBKSA-N	-1	0	382.372	2.039	50	10		GECARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2c[nH]c3ccccc23)cc1	ZINC000034926460	570548136	/nfs/dbraw/zinc/54/81/36/570548136.db2.gz	VNNUZACGEINLBI-UHFFFAOYSA-N	-1	0	381.432	2.426	50	10		GECARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000004472035	570798244	/nfs/dbraw/zinc/79/82/44/570798244.db2.gz	FOYGTYZIEKLYKP-DHDCSXOGSA-N	-1	0	382.347	2.259	50	10		GECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N(C)C)cc3)C2=O)c1	ZINC000101350793	570821047	/nfs/dbraw/zinc/82/10/47/570821047.db2.gz	PAQVTMLPCYVPLB-SFQUDFHCSA-N	-1	0	392.415	2.276	50	10		GECARM
Cc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000015945541	210180215	/nfs/dbraw/zinc/18/02/15/210180215.db2.gz	ABBLQNFYNFVEPW-OAHLLOKOSA-N	-1	0	395.404	2.454	50	10		GECARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1	ZINC000002892841	209395681	/nfs/dbraw/zinc/39/56/81/209395681.db2.gz	OAFJVHAORSPMAI-BOPFTXTBSA-N	-1	0	399.378	2.099	50	10		GECARM
COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000001406525	209326082	/nfs/dbraw/zinc/32/60/82/209326082.db2.gz	YJTLEJCPPKCEQB-LFIBNONCSA-N	-1	0	396.424	2.313	50	10		GECARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C2/c3ccccc3N(C)C2=O)SC1=S	ZINC000001793731	211509087	/nfs/dbraw/zinc/50/90/87/211509087.db2.gz	PFVQMUISTIVVHL-GXZRWPEMSA-N	-1	0	376.459	2.488	50	10		GECARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1nc(N2CCCC2)ncc1Cl	ZINC000048165093	211456826	/nfs/dbraw/zinc/45/68/26/211456826.db2.gz	AJNSCHSGNRQSKY-UHFFFAOYSA-N	-1	0	377.788	2.274	50	10		GECARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1	ZINC000020841869	210363072	/nfs/dbraw/zinc/36/30/72/210363072.db2.gz	VPLAOHISIALBSP-DNKLCNGGSA-N	-1	0	397.479	2.408	50	10		GECARM
O=C([O-])CCc1cc2n(n1)CCN(C1CCN(c3ccc4c(c3)OCO4)CC1)C2	ZINC000072169975	136167407	/nfs/dbraw/zinc/16/74/07/136167407.db2.gz	HTTSOIIUFLPODT-UHFFFAOYSA-N	-1	0	398.463	2.114	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1	ZINC000004752166	136194058	/nfs/dbraw/zinc/19/40/58/136194058.db2.gz	MZDYZVLIYFBLOE-YBEGLDIGSA-N	-1	0	382.372	2.379	50	10		GECARM
O=c1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2[nH]1	ZINC000005799404	136195033	/nfs/dbraw/zinc/19/50/33/136195033.db2.gz	LTMINBSQCXAWMQ-XYOKQWHBSA-N	-1	0	397.778	2.088	50	10		GECARM
CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000004672745	570392216	/nfs/dbraw/zinc/39/22/16/570392216.db2.gz	MLFRSUDADPLIRU-XNTDXEJSSA-N	-1	0	396.424	2.220	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1	ZINC000005101803	570429322	/nfs/dbraw/zinc/42/93/22/570429322.db2.gz	CNTCWQXGEZAJLX-PTNGSMBKSA-N	-1	0	397.387	2.291	50	10		GECARM
COc1ccc(-c2ccc(C=C3C(=O)N(c4nnn[n-]4)N=C3C)o2)c([N+](=O)[O-])c1	ZINC000012412886	570656563	/nfs/dbraw/zinc/65/65/63/570656563.db2.gz	TZPFZPCTXQXZPS-QPEQYQDCSA-N	-1	0	395.335	2.183	50	10		GECARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C	ZINC000103783743	570888943	/nfs/dbraw/zinc/88/89/43/570888943.db2.gz	FNFNMTURLFJUGO-MHWRWJLKSA-N	-1	0	390.399	2.381	50	10		GECARM
COc1ccc(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)cc1	ZINC000006267760	531523023	/nfs/dbraw/zinc/52/30/23/531523023.db2.gz	TZXFZUFEWIBFFR-UHFFFAOYSA-N	-1	0	378.435	2.471	50	10		GECARM
CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1	ZINC000002443954	209363975	/nfs/dbraw/zinc/36/39/75/209363975.db2.gz	QKDIBUHZNYNBQZ-LICLKQGHSA-N	-1	0	380.404	2.349	50	10		GECARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1	ZINC000001197351	209312844	/nfs/dbraw/zinc/31/28/44/209312844.db2.gz	JMMYRHOBBMFGBE-OQLLNIDSSA-N	-1	0	382.372	2.071	50	10		GECARM
CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(C(=O)OC)cc3)C2=O)ccc1O	ZINC000000995421	209287877	/nfs/dbraw/zinc/28/78/77/209287877.db2.gz	RLQJOYQHDLWGOD-XNTDXEJSSA-N	-1	0	382.372	2.039	50	10		GECARM
COc1ccc(CC(=O)c2ccc([O-])c(CN3CCOCC3)c2O)cc1OC	ZINC000023135356	209238692	/nfs/dbraw/zinc/23/86/92/209238692.db2.gz	LAELWEXHTCNOJM-UHFFFAOYSA-N	-1	0	387.432	2.373	50	10		GECARM
CN(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC000006319914	209233014	/nfs/dbraw/zinc/23/30/14/209233014.db2.gz	MKKKFEUIYXLGKU-XYOKQWHBSA-N	-1	0	381.435	2.337	50	10		GECARM
CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000064980674	136158435	/nfs/dbraw/zinc/15/84/35/136158435.db2.gz	WZSRGGXVKLYYEC-UHFFFAOYSA-N	-1	0	385.464	2.415	50	10		GECARM
Cc1cc2ncc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)n2[n-]1	ZINC000101788019	136189877	/nfs/dbraw/zinc/18/98/77/136189877.db2.gz	BNKCFYKFAJVFCO-AWEZNQCLSA-N	-1	0	379.464	2.497	50	10		GECARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])c1	ZINC000100640691	536655389	/nfs/dbraw/zinc/65/53/89/536655389.db2.gz	QRFXOWANQNEVSD-RAXLEYEMSA-N	-1	0	382.332	2.182	50	10		GECARM
COc1cc(CC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1OC	ZINC000035325366	570338093	/nfs/dbraw/zinc/33/80/93/570338093.db2.gz	LFQKJGCNTJYMLF-UHFFFAOYSA-N	-1	0	376.365	2.185	50	10		GECARM
O=C(c1ccncc1)n1[n-]c(-c2ccccc2O)c(C[NH+]2CCCCC2)c1=O	ZINC000005717190	570452560	/nfs/dbraw/zinc/45/25/60/570452560.db2.gz	KEWDPHSWHUFBEU-KRWDZBQOSA-N	-1	0	378.432	2.276	50	10		GECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)cc1C	ZINC000005753696	570455410	/nfs/dbraw/zinc/45/54/10/570455410.db2.gz	VBXTVVKOHLNUQK-ATVHPVEESA-N	-1	0	395.415	2.399	50	10		GECARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(N2CCCC2)o1	ZINC000006243418	570473935	/nfs/dbraw/zinc/47/39/35/570473935.db2.gz	AKOJYKJGTDIWTK-UVTDQMKNSA-N	-1	0	395.371	2.275	50	10		GECARM
NC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc3c(c1)OCCCO3)CCC2	ZINC000006623244	570506876	/nfs/dbraw/zinc/50/68/76/570506876.db2.gz	DDZIEJORLOTQOB-UHFFFAOYSA-N	-1	0	394.474	2.298	50	10		GECARM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000004740077	570953860	/nfs/dbraw/zinc/95/38/60/570953860.db2.gz	NQNRDFFDLHDUGQ-YBEGLDIGSA-N	-1	0	395.415	2.219	50	10		GECARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccccc1	ZINC000004182125	570983238	/nfs/dbraw/zinc/98/32/38/570983238.db2.gz	ONYVKRFKTXPPIH-UHFFFAOYSA-N	-1	0	396.399	2.293	50	10		GECARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)c1	ZINC000009360318	212184740	/nfs/dbraw/zinc/18/47/40/212184740.db2.gz	KIKWNTXCYZMILC-MDWZMJQESA-N	-1	0	398.371	2.084	50	10		GECARM
O=C1/C(=C/c2ccncc2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000005249815	220850339	/nfs/dbraw/zinc/85/03/39/220850339.db2.gz	YASIQVFCTGOITA-RAXLEYEMSA-N	-1	0	377.472	2.176	50	10		GECARM
COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000011612308	221116972	/nfs/dbraw/zinc/11/69/72/221116972.db2.gz	DSVNBGXMRCQUTO-UHFFFAOYSA-N	-1	0	388.383	2.297	50	10		GECARM
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000013597130	221277474	/nfs/dbraw/zinc/27/74/74/221277474.db2.gz	HDDVQIOYAZUUDN-QPEQYQDCSA-N	-1	0	383.447	2.388	50	10		GECARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000013570388	221274528	/nfs/dbraw/zinc/27/45/28/221274528.db2.gz	QHZQCENWLDOONJ-FOWTUZBSSA-N	-1	0	397.456	2.256	50	10		GECARM
Cn1cccc1/C=C1\SC(=S)N([N-]S(=O)(=O)c2ccccc2)C1=O	ZINC000013769360	221288615	/nfs/dbraw/zinc/28/86/15/221288615.db2.gz	OQACHWZJCGNOQE-RAXLEYEMSA-N	-1	0	379.488	2.120	50	10		GECARM
COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc(OC)c1OC	ZINC000015357256	221335296	/nfs/dbraw/zinc/33/52/96/221335296.db2.gz	WCAHFSNHSNCRPZ-OTIXFSKASA-N	-1	0	383.447	2.387	50	10		GECARM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1F	ZINC000015013709	221326639	/nfs/dbraw/zinc/32/66/39/221326639.db2.gz	CNAPITPZJMHVPK-YBEGLDIGSA-N	-1	0	380.379	2.487	50	10		GECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1	ZINC000012659379	136200569	/nfs/dbraw/zinc/20/05/69/136200569.db2.gz	NDDMIHNQRKCUAR-DNKLCNGGSA-N	-1	0	391.431	2.280	50	10		GECARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNCCCn1ccnc1	ZINC000019997201	570234498	/nfs/dbraw/zinc/23/44/98/570234498.db2.gz	HESSWMWQAKVCBM-LGMDPLHJSA-N	-1	0	389.415	2.183	50	10		GECARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000006186916	570318084	/nfs/dbraw/zinc/31/80/84/570318084.db2.gz	WPSFHHJLGBVTNM-ATVHPVEESA-N	-1	0	381.436	2.153	50	10		GECARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)cc1	ZINC000006196212	570471567	/nfs/dbraw/zinc/47/15/67/570471567.db2.gz	JJEWIXZZUYBPEQ-UHFFFAOYSA-N	-1	0	393.490	2.485	50	10		GECARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000001155120	570758234	/nfs/dbraw/zinc/75/82/34/570758234.db2.gz	ZDSMLPSHNVQKPC-XMHGGMMESA-N	-1	0	391.427	2.185	50	10		GECARM
CN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Br)c2)C(=O)NC1=S	ZINC000004682211	531516766	/nfs/dbraw/zinc/51/67/66/531516766.db2.gz	QIZLAXFSVHYZMG-KXFIGUGUSA-N	-1	0	375.631	2.065	50	10		GECARM
O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c2)N1	ZINC000021713597	531587485	/nfs/dbraw/zinc/58/74/85/531587485.db2.gz	XOOCRKZKYRWZDG-OAHLLOKOSA-N	-1	0	392.487	2.354	50	10		GECARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1OC	ZINC000001228825	212231504	/nfs/dbraw/zinc/23/15/04/212231504.db2.gz	OYJZYNWXOBTPOI-JLHYYAGUSA-N	-1	0	382.372	2.379	50	10		GECARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000001213998	212229287	/nfs/dbraw/zinc/22/92/87/212229287.db2.gz	DACLZVNBOMWKQD-ZROIWOOFSA-N	-1	0	381.344	2.265	50	10		GECARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000001022768	212205390	/nfs/dbraw/zinc/20/53/90/212205390.db2.gz	LORMZRZBNYUZJN-LFIBNONCSA-N	-1	0	396.399	2.342	50	10		GECARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S	ZINC000096947682	212156606	/nfs/dbraw/zinc/15/66/06/212156606.db2.gz	HDLJNZMVZMITBF-SDQBBNPISA-N	-1	0	378.410	2.082	50	10		GECARM
CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=O	ZINC000002972689	220591200	/nfs/dbraw/zinc/59/12/00/220591200.db2.gz	WHVLAOFNLATLMU-UHFFFAOYSA-N	-1	0	394.383	2.398	50	10		GECARM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(F)c3)C1=O)OCO2	ZINC000014010847	221296303	/nfs/dbraw/zinc/29/63/03/221296303.db2.gz	ZTHMTWVDOFDVOM-ACAGNQJTSA-N	-1	0	384.319	2.229	50	10		GECARM
O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cccc2nsnc21	ZINC000019079691	221395788	/nfs/dbraw/zinc/39/57/88/221395788.db2.gz	XBYUHKHRRYHGPX-UHFFFAOYSA-N	-1	0	399.461	2.481	50	10		GECARM
N=C1/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)N=C2SC(c3ccncc3)=NN21	ZINC000049735079	222001426	/nfs/dbraw/zinc/00/14/26/222001426.db2.gz	RDPJDBKEEBIUOB-KOKPZHPOSA-N	-1	0	377.385	2.447	50	10		GECARM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000002246192	570280515	/nfs/dbraw/zinc/28/05/15/570280515.db2.gz	ORJMIJJVYBEJQQ-OQLLNIDSSA-N	-1	0	397.456	2.357	50	10		GECARM
CCN(CC)c1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2)cc1	ZINC000101495628	570825643	/nfs/dbraw/zinc/82/56/43/570825643.db2.gz	GZTBPKWHLVRHNT-CQSZACIVSA-N	-1	0	387.509	2.444	50	10		GECARM
CN(C)c1ccc([C@@H]2[C@@H](S(=O)(=O)NCc3ccccc3)CON2C)cc1	ZINC000105025069	570913216	/nfs/dbraw/zinc/91/32/16/570913216.db2.gz	IXYXABYOUUTKPQ-RBUKOAKNSA-N	-1	0	375.494	2.159	50	10		GECARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)c1	ZINC000004808278	570997324	/nfs/dbraw/zinc/99/73/24/570997324.db2.gz	KIKWNTXCYZMILC-JYRVWZFOSA-N	-1	0	398.371	2.084	50	10		GECARM
Cc1c(N=Nc2c(O)n(-c3ccccc3)[n-]c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000252621108	571033061	/nfs/dbraw/zinc/03/30/61/571033061.db2.gz	MTEYYJNYFBVUHD-QGZVFWFLSA-N	-1	0	390.403	2.015	50	10		GECARM
CCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000002688845	531506617	/nfs/dbraw/zinc/50/66/17/531506617.db2.gz	QWAAJTMVZZFKAP-YPKPFQOOSA-N	-1	0	376.459	2.489	50	10		GECARM
CN(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC000021548969	531588441	/nfs/dbraw/zinc/58/84/41/531588441.db2.gz	MKKKFEUIYXLGKU-WQLSENKSSA-N	-1	0	381.435	2.337	50	10		GECARM
CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)o2)C(=O)O1	ZINC000001890416	212259412	/nfs/dbraw/zinc/25/94/12/212259412.db2.gz	HJPKENCZCNOAJU-UHFFFAOYSA-N	-1	0	378.358	2.413	50	10		GECARM
COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)SC1=S	ZINC000009189314	221073170	/nfs/dbraw/zinc/07/31/70/221073170.db2.gz	NPTUXHWOGJQSMC-ZROIWOOFSA-N	-1	0	397.474	2.396	50	10		GECARM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000016225209	221359666	/nfs/dbraw/zinc/35/96/66/221359666.db2.gz	YCBBZAYCYJLFDO-ZSOIEALJSA-N	-1	0	383.360	2.382	50	10		GECARM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	ZINC000016347945	221360278	/nfs/dbraw/zinc/36/02/78/221360278.db2.gz	NRMZMASPFDODEZ-RIYZIHGNSA-N	-1	0	379.336	2.482	50	10		GECARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1	ZINC000004989688	136194308	/nfs/dbraw/zinc/19/43/08/136194308.db2.gz	PCPXPBWRJFPNEW-ZSOIEALJSA-N	-1	0	397.343	2.278	50	10		GECARM
Cc1ccccc1N1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)[N-]C1=S	ZINC000101086053	136196248	/nfs/dbraw/zinc/19/62/48/136196248.db2.gz	IQFZZNLXEHYUFI-GXDHUFHOSA-N	-1	0	395.440	2.145	50	10		GECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1	ZINC000005531682	136196810	/nfs/dbraw/zinc/19/68/10/136196810.db2.gz	CHWJTGRMGVWYNH-XMHGGMMESA-N	-1	0	391.427	2.498	50	10		GECARM
O=C([O-])C1CCN(C(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)CC1	ZINC000005349206	570562840	/nfs/dbraw/zinc/56/28/40/570562840.db2.gz	JVIPPGHMSCPMSL-RAXLEYEMSA-N	-1	0	394.474	2.194	50	10		GECARM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)o1	ZINC000102653635	570855997	/nfs/dbraw/zinc/85/59/97/570855997.db2.gz	FNDTZAPFQFWNHX-MDWZMJQESA-N	-1	0	395.335	2.183	50	10		GECARM
O=C([O-])CCn1c(/C=C/c2cnc(N3CCCC3)nc2)nc2ccccc2c1=O	ZINC000044026648	570856646	/nfs/dbraw/zinc/85/66/46/570856646.db2.gz	GWGFEOLZAJASQW-BQYQJAHWSA-N	-1	0	391.431	2.432	50	10		GECARM
Cc1oc(C(N)=O)cc1-c1csc([N-]S(=O)(=O)c2cccc(C)c2)n1	ZINC000089677913	531924657	/nfs/dbraw/zinc/92/46/57/531924657.db2.gz	WVPDYZHKOGSEKH-UHFFFAOYSA-N	-1	0	377.447	2.920	50	10		GECARM
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C)C3=O)c2C)c(C)c1	ZINC000001175635	212225853	/nfs/dbraw/zinc/22/58/53/212225853.db2.gz	JDVLZTDNDAHTBN-MHWRWJLKSA-N	-1	0	395.415	2.281	50	10		GECARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(OC)ccc3OC)C2=O)cc1	ZINC000001066983	212212707	/nfs/dbraw/zinc/21/27/07/212212707.db2.gz	WCRQADSFHWNYFQ-GZTJUZNOSA-N	-1	0	396.399	2.374	50	10		GECARM
O=c1c(-c2ccccc2)coc2c1ccc([O-])c2CN1CCN(CCO)CC1	ZINC000020358251	212152243	/nfs/dbraw/zinc/15/22/43/212152243.db2.gz	UUGDLPUVHSHPPB-UHFFFAOYSA-N	-1	0	380.444	2.276	50	10		GECARM
COc1ccc(N2CCN(c3nc(=O)c(Cc4ccccc4)n[n-]3)CC2)cc1	ZINC000009304614	221076911	/nfs/dbraw/zinc/07/69/11/221076911.db2.gz	PVSBYMWIRIYFAH-UHFFFAOYSA-N	-1	0	377.448	2.091	50	10		GECARM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)o1	ZINC000012412882	221189529	/nfs/dbraw/zinc/18/95/29/221189529.db2.gz	FNDTZAPFQFWNHX-JYRVWZFOSA-N	-1	0	395.335	2.183	50	10		GECARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNN1CCCCC1	ZINC000017162410	221380466	/nfs/dbraw/zinc/38/04/66/221380466.db2.gz	XBXAOUCTQWGBIO-RAXLEYEMSA-N	-1	0	382.342	2.367	50	10		GECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)c1	ZINC000002285536	136193496	/nfs/dbraw/zinc/19/34/96/136193496.db2.gz	IDIGBPJPEGXFHG-MHWRWJLKSA-N	-1	0	380.356	2.125	50	10		GECARM
CN(C)c1ccc(C=C2C(=O)NN=C2c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000100252484	570270244	/nfs/dbraw/zinc/27/02/44/570270244.db2.gz	GXCUAHKPUVMJDO-VBKFSLOCSA-N	-1	0	388.427	2.228	50	10		GECARM
Nc1cc(N)c(S(=O)(=O)[O-])cc1NN=C1C=C([N+](=O)[O-])C=C([N+](=O)[O-])C1=O	ZINC000004235568	570363364	/nfs/dbraw/zinc/36/33/64/570363364.db2.gz	YELYYJBDBXBBTL-FOCLMDBBSA-N	-1	0	398.313	2.035	50	10		GECARM
O=C(NCc1ccccc1)c1cc2ccccc2c(CN2CCNC(=O)C2)c1[O-]	ZINC000023873304	570374498	/nfs/dbraw/zinc/37/44/98/570374498.db2.gz	GEYQCOOTCQJAFJ-UHFFFAOYSA-N	-1	0	389.455	2.407	50	10		GECARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000005009996	570395404	/nfs/dbraw/zinc/39/54/04/570395404.db2.gz	LORMZRZBNYUZJN-WJDWOHSUSA-N	-1	0	396.399	2.342	50	10		GECARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1	ZINC000001191958	212226572	/nfs/dbraw/zinc/22/65/72/212226572.db2.gz	VKZNINAGAOPTKU-WJDWOHSUSA-N	-1	0	396.399	2.429	50	10		GECARM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(OC)c1O	ZINC000004558002	220730427	/nfs/dbraw/zinc/73/04/27/220730427.db2.gz	YJJFLRZVFLZEPC-MDWZMJQESA-N	-1	0	384.413	2.241	50	10		GECARM
CCOC(=O)c1cc(-c2ccccc2)sc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008477345	221041552	/nfs/dbraw/zinc/04/15/52/221041552.db2.gz	CUXUZYIQMXGWHE-UHFFFAOYSA-N	-1	0	385.401	2.254	50	10		GECARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000100497234	570272673	/nfs/dbraw/zinc/27/26/73/570272673.db2.gz	XCDOFIHFTRMLGU-QGOAFFKASA-N	-1	0	385.445	2.171	50	10		GECARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(N(C)C)cc2)C1=O	ZINC000002832206	570305697	/nfs/dbraw/zinc/30/56/97/570305697.db2.gz	VTBDVWGOVFDOPD-QINSGFPZSA-N	-1	0	380.404	2.340	50	10		GECARM
COc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1	ZINC000100335331	570353481	/nfs/dbraw/zinc/35/34/81/570353481.db2.gz	YYFZGROHKKXYOU-GXDHUFHOSA-N	-1	0	385.351	2.422	50	10		GECARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(C)C	ZINC000001156858	570758499	/nfs/dbraw/zinc/75/84/99/570758499.db2.gz	RPKVXGBLVJLQSD-UHFFFAOYSA-N	-1	0	397.225	2.242	50	10		GECARM
Cc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000102085513	570840623	/nfs/dbraw/zinc/84/06/23/570840623.db2.gz	ABBLQNFYNFVEPW-HNNXBMFYSA-N	-1	0	395.404	2.454	50	10		GECARM
O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1	ZINC000005741250	570920001	/nfs/dbraw/zinc/92/00/01/570920001.db2.gz	CKIOLMJDMPNSRL-UHFFFAOYSA-N	-1	0	390.355	2.347	50	10		GECARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1	ZINC000006153274	531522472	/nfs/dbraw/zinc/52/24/72/531522472.db2.gz	ACRYOSHVBPNPTB-ZROIWOOFSA-N	-1	0	391.499	2.485	50	10		GECARM
Cn1cccc1/C=C1/SC(=S)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000001875761	212258392	/nfs/dbraw/zinc/25/83/92/212258392.db2.gz	MLSZUORBKLDDQP-UKTHLTGXSA-N	-1	0	388.430	2.480	50	10		GECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S	ZINC000001235886	212232174	/nfs/dbraw/zinc/23/21/74/212232174.db2.gz	ICRQMQBVDGOOFY-NPRUJURCSA-N	-1	0	376.459	2.344	50	10	in-vitro	GECARM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000000980526	212201841	/nfs/dbraw/zinc/20/18/41/212201841.db2.gz	MLMYFMPQZHJXTK-OQLLNIDSSA-N	-1	0	383.429	2.049	50	10		GECARM
O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)ccc1Cl	ZINC000000809291	212184179	/nfs/dbraw/zinc/18/41/79/212184179.db2.gz	SYFNAFOYNDUJIV-UHFFFAOYSA-N	-1	0	376.777	2.213	50	10		GECARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1COC(C)=O	ZINC000006296255	220927177	/nfs/dbraw/zinc/92/71/77/220927177.db2.gz	NVHQPCHOZBXYLR-AWNIVKPZSA-N	-1	0	381.431	2.044	50	10		GECARM
COc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C(=O)[N-]C2=S)c1	ZINC000013571696	221274044	/nfs/dbraw/zinc/27/40/44/221274044.db2.gz	WWMYVOKFZNTQFE-XYOKQWHBSA-N	-1	0	389.414	2.496	50	10		GECARM
CCOC(=O)COc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(F)cc2)C1=O	ZINC000017150106	221379338	/nfs/dbraw/zinc/37/93/38/221379338.db2.gz	WUNROSJEPBTSTM-WJDWOHSUSA-N	-1	0	384.363	2.229	50	10		GECARM
COCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1C(=O)[O-]	ZINC000064589857	136157088	/nfs/dbraw/zinc/15/70/88/136157088.db2.gz	HBDIKMMZAFNFAL-UHFFFAOYSA-N	-1	0	399.447	2.305	50	10		GECARM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000002082270	570273916	/nfs/dbraw/zinc/27/39/16/570273916.db2.gz	MWCRHYPMXWHAFH-RAXLEYEMSA-N	-1	0	382.332	2.182	50	10		GECARM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000002892727	570316967	/nfs/dbraw/zinc/31/69/67/570316967.db2.gz	LKASZKBLDUULDJ-UVTDQMKNSA-N	-1	0	385.351	2.422	50	10		GECARM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000002990352	570323587	/nfs/dbraw/zinc/32/35/87/570323587.db2.gz	MFCHIHFUTQAPDU-SDNWHVSQSA-N	-1	0	381.413	2.217	50	10		GECARM
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000004620810	570388393	/nfs/dbraw/zinc/38/83/93/570388393.db2.gz	AVYRDPYOLJTXHT-UHFFFAOYSA-N	-1	0	397.456	2.391	50	10		GECARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1COc1ccc(F)cc1F	ZINC000004646527	570389051	/nfs/dbraw/zinc/38/90/51/570389051.db2.gz	PFOOCGLUQQFSAL-UHFFFAOYSA-N	-1	0	388.326	2.302	50	10		GECARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(SC)nc3)C2=O)cc1	ZINC000004754490	570403052	/nfs/dbraw/zinc/40/30/52/570403052.db2.gz	DOJLYQQNAPFUAN-ZSOIEALJSA-N	-1	0	384.417	2.264	50	10		GECARM
CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1	ZINC000101762117	570832518	/nfs/dbraw/zinc/83/25/18/570832518.db2.gz	YPIAQCQJNNGBNN-MRXNPFEDSA-N	-1	0	397.479	2.252	50	10		GECARM
CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N(C)C1=O	ZINC000002958898	220588389	/nfs/dbraw/zinc/58/83/89/220588389.db2.gz	VHBXKKSQYDFXMN-UHFFFAOYSA-N	-1	0	394.383	2.398	50	10		GECARM
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)SC1=S	ZINC000009189378	221073140	/nfs/dbraw/zinc/07/31/40/221073140.db2.gz	FHKHCJLGSNNGCP-JYRVWZFOSA-N	-1	0	383.447	2.006	50	10		GECARM
Cn1cccc1/C=C1\SC(=S)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000013769404	221288529	/nfs/dbraw/zinc/28/85/29/221288529.db2.gz	MLSZUORBKLDDQP-LCYFTJDESA-N	-1	0	388.430	2.480	50	10		GECARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(C(=O)OC)cc3)C2=O)ccc1O	ZINC000016688766	221367487	/nfs/dbraw/zinc/36/74/87/221367487.db2.gz	RLQJOYQHDLWGOD-GDNBJRDFSA-N	-1	0	382.372	2.039	50	10		GECARM
Cn1c(=O)c(C2=NNC(=O)C2=Cc2cccc([N+](=O)[O-])c2)c([O-])c2ccccc21	ZINC000100260913	534667717	/nfs/dbraw/zinc/66/77/17/534667717.db2.gz	RAESHXUVRBHMRM-UVTDQMKNSA-N	-1	0	390.355	2.070	50	10		GECARM
COCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C(=O)[O-])cc2C1=O	ZINC000002862468	570311694	/nfs/dbraw/zinc/31/16/94/570311694.db2.gz	JBBFKDLKRSUAJV-UHFFFAOYSA-N	-1	0	382.372	2.188	50	10		GECARM
CCC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)[O-]	ZINC000004610607	570667471	/nfs/dbraw/zinc/66/74/71/570667471.db2.gz	XBPWTKOMNMPTHD-HNNXBMFYSA-N	-1	0	387.413	2.457	50	10		GECARM
CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1	ZINC000101762110	570832936	/nfs/dbraw/zinc/83/29/36/570832936.db2.gz	YPIAQCQJNNGBNN-INIZCTEOSA-N	-1	0	397.479	2.252	50	10		GECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000004534855	570846560	/nfs/dbraw/zinc/84/65/60/570846560.db2.gz	BHJNSTGXBLWHPT-GDNBJRDFSA-N	-1	0	382.372	2.379	50	10		GECARM
O=C([O-])CCN1C(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S	ZINC000003959651	531511270	/nfs/dbraw/zinc/51/12/70/531511270.db2.gz	UKZPSSCBUIMLRD-ZHACJKMWSA-N	-1	0	379.375	2.243	50	10		GECARM
CCCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])NC1=S	ZINC000003662893	531510118	/nfs/dbraw/zinc/51/01/18/531510118.db2.gz	OHVXGFMIVDGXMU-XFFZJAGNSA-N	-1	0	399.266	2.380	50	10		GECARM
CCCN1c2ccccc2/C(=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)C1=O	ZINC000001281987	212234137	/nfs/dbraw/zinc/23/41/37/212234137.db2.gz	CHBPSJFLJDCGDA-LZTQFINJSA-N	-1	0	376.459	2.488	50	10		GECARM
O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	ZINC000001216021	212229416	/nfs/dbraw/zinc/22/94/16/212229416.db2.gz	SUKIGNZYFFRPOG-CYBMUJFWSA-N	-1	0	394.383	2.412	50	10		GECARM
Cc1cc(O)c(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)cc1NS(C)(=O)=O	ZINC000011615808	221118739	/nfs/dbraw/zinc/11/87/39/221118739.db2.gz	UDDJHKJAHTYANE-GFCCVEGCSA-N	-1	0	397.371	2.239	50	10		GECARM
COC(=O)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000013785706	221289242	/nfs/dbraw/zinc/28/92/42/221289242.db2.gz	TZBGSCSRUONRHV-WJDWOHSUSA-N	-1	0	380.356	2.148	50	10		GECARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNCCCn1ccnc1	ZINC000100778443	136196013	/nfs/dbraw/zinc/19/60/13/136196013.db2.gz	HESSWMWQAKVCBM-GHRIWEEISA-N	-1	0	389.415	2.183	50	10		GECARM
CCOC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000002710436	450597803	/nfs/dbraw/zinc/59/78/03/450597803.db2.gz	KGLATTHNTXFTRK-UHFFFAOYSA-N	-1	0	383.253	2.162	50	10		GECARM
COc1ccc(NNC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000004852136	570347432	/nfs/dbraw/zinc/34/74/32/570347432.db2.gz	CZHUFVGWMOAFFB-GDNBJRDFSA-N	-1	0	386.795	2.432	50	10		GECARM
CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1	ZINC000006394365	570403885	/nfs/dbraw/zinc/40/38/85/570403885.db2.gz	YCMLVPUESZZWHL-JWBCGAGPSA-N	-1	0	399.491	2.316	50	10		GECARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000004812288	570999276	/nfs/dbraw/zinc/99/92/76/570999276.db2.gz	ZPEQLQFAMWZOJF-LFIBNONCSA-N	-1	0	380.429	2.389	50	10		GECARM