smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[N-]C(=O)c1ccccc1Br	ZINC000832845312	604263580	/nfs/dbraw/zinc/26/35/80/604263580.db2.gz	ASDLEWTXFGAURA-UHFFFAOYSA-N	-2	3	380.198	2.167	20	50		GEGDHL
O=C([O-])N1CCSC[C@@H]1CC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000831414418	605602943	/nfs/dbraw/zinc/60/29/43/605602943.db2.gz	NUUSXZLXPGLVSX-VIFPVBQESA-N	-2	3	392.264	2.240	20	50		GEGDHL
N#CC(=Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826379162	608217343	/nfs/dbraw/zinc/21/73/43/608217343.db2.gz	KRXHQPCLZJSSCB-NVNXTCNLSA-N	-2	3	375.344	2.120	20	50		GEGDHL
N#CC(=Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826379162	608217344	/nfs/dbraw/zinc/21/73/44/608217344.db2.gz	KRXHQPCLZJSSCB-NVNXTCNLSA-N	-2	3	375.344	2.120	20	50		GEGDHL
O=C([O-])N[C@@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)Cc1ccccc1	ZINC000832104169	603435289	/nfs/dbraw/zinc/43/52/89/603435289.db2.gz	DYVDTWTUTGGFEO-MRXNPFEDSA-N	-2	3	392.415	2.265	20	50		GEGDHL
COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(=O)c1ccccc1[O-]	ZINC000829187185	603435820	/nfs/dbraw/zinc/43/58/20/603435820.db2.gz	GDMIURDMHQYLRL-UHFFFAOYSA-N	-2	3	379.756	2.219	20	50		GEGDHL
N#CC(=Cc1cccc(OCC(=O)[O-])c1)C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826379663	608215866	/nfs/dbraw/zinc/21/58/66/608215866.db2.gz	YIKWLIQDPDWGJS-VIZOYTHASA-N	-2	3	375.344	2.120	20	50		GEGDHL
N#CC(=Cc1cccc(OCC(=O)[O-])c1)C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826379663	608215867	/nfs/dbraw/zinc/21/58/67/608215867.db2.gz	YIKWLIQDPDWGJS-VIZOYTHASA-N	-2	3	375.344	2.120	20	50		GEGDHL
O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000832475153	604188907	/nfs/dbraw/zinc/18/89/07/604188907.db2.gz	LOBFUFZZMMMJGX-QPUJVOFHSA-N	-2	3	389.239	2.374	20	50		GEGDHL
COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000832143056	600929434	/nfs/dbraw/zinc/92/94/34/600929434.db2.gz	JFMNKVGJWZLVHN-NXEZZACHSA-N	-2	3	399.241	2.110	20	50		GEGDHL
C[C@H](CN(C)C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl	ZINC000824868138	604150359	/nfs/dbraw/zinc/15/03/59/604150359.db2.gz	JLJHUVWBUOCBIO-SSDOTTSWSA-N	-2	3	392.637	2.109	20	50		GEGDHL
Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)NN=c2nc(C)cc(C)[n-]2)c1	ZINC000833754486	604737459	/nfs/dbraw/zinc/73/74/59/604737459.db2.gz	QRZTYRJYCXWSSA-UHFFFAOYSA-N	-2	3	381.396	2.434	20	50		GEGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-c2ccccn2)ccc1Cl	ZINC000834232778	605981050	/nfs/dbraw/zinc/98/10/50/605981050.db2.gz	XRRWIMDKKGCTST-UHFFFAOYSA-N	-2	3	376.800	2.211	20	50		GEGDHL
CC(C)(CNC(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl	ZINC000823964449	603657554	/nfs/dbraw/zinc/65/75/54/603657554.db2.gz	GMGVOTIYPSVURX-UHFFFAOYSA-N	-2	3	392.637	2.157	20	50		GEGDHL
C[C@@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824672151	604281706	/nfs/dbraw/zinc/28/17/06/604281706.db2.gz	RZHUILGRZSENLL-ZFWWWQNUSA-N	-2	3	384.436	2.412	20	50		GEGDHL
O=C([O-])N[C@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)c1ccccc1	ZINC000832105820	605563653	/nfs/dbraw/zinc/56/36/53/605563653.db2.gz	RCRGCZHWPMFRAL-QGZVFWFLSA-N	-2	3	378.388	2.395	20	50		GEGDHL
O=C([O-])N[C@@H](CC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1)c1ccccc1	ZINC000834126338	605613050	/nfs/dbraw/zinc/61/30/50/605613050.db2.gz	KSLQZRCYDJLYFE-KRWDZBQOSA-N	-2	3	393.403	2.032	20	50		GEGDHL
O=C([N-]NC(=O)c1ccc(Cl)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823277544	606685313	/nfs/dbraw/zinc/68/53/13/606685313.db2.gz	PJMULIODDFYDSB-UHFFFAOYSA-N	-2	3	396.716	2.012	20	50		GEGDHL
O=C([N-]N=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000826445791	608630622	/nfs/dbraw/zinc/63/06/22/608630622.db2.gz	KDMHGFMRYUGDPD-UHFFFAOYSA-N	-2	3	395.166	2.234	20	50		GEGDHL
CN(C(=O)COC(=O)/C(C#N)=C\c1ccc([O-])cc1)c1ccccc1C(=O)[O-]	ZINC000830485685	601590172	/nfs/dbraw/zinc/59/01/72/601590172.db2.gz	MUPDQYIMDSFEAX-UVTDQMKNSA-N	-2	3	380.356	2.204	20	50		GEGDHL
C[C@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824672149	604281786	/nfs/dbraw/zinc/28/17/86/604281786.db2.gz	RZHUILGRZSENLL-HIFRSBDPSA-N	-2	3	384.436	2.412	20	50		GEGDHL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(Br)cn3ccnc23)cc1F	ZINC000833148507	604304165	/nfs/dbraw/zinc/30/41/65/604304165.db2.gz	LCKYRSZGEIRNJT-UHFFFAOYSA-N	-2	3	394.160	2.086	20	50		GEGDHL
O=C([N-]NC(=O)c1cc2c(s1)CCCCC2)c1ccc(-c2nn[n-]n2)s1	ZINC000823277549	606520793	/nfs/dbraw/zinc/52/07/93/606520793.db2.gz	PQXUGVLSLYXBMX-UHFFFAOYSA-N	-2	3	388.478	2.333	20	50		GEGDHL
O=C([N-]N=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc(F)c(F)c(F)c1F	ZINC000826445778	608628493	/nfs/dbraw/zinc/62/84/93/608628493.db2.gz	JKKCJWDYTOAQBI-UHFFFAOYSA-N	-2	3	387.684	2.228	20	50		GEGDHL
C[C@H](OC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000827803214	601590025	/nfs/dbraw/zinc/59/00/25/601590025.db2.gz	KVIQAGVMLZSHOS-VZWMTCDZSA-N	-2	3	394.383	2.245	20	50		GEGDHL
CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(C(=O)[O-])ccc1F	ZINC000825028760	607930934	/nfs/dbraw/zinc/93/09/34/607930934.db2.gz	KDPNCWXFXXMRDP-UHFFFAOYSA-N	-2	3	382.355	2.248	20	50		GEGDHL
CCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(C(=O)[O-])ccc1F	ZINC000825028760	607930935	/nfs/dbraw/zinc/93/09/35/607930935.db2.gz	KDPNCWXFXXMRDP-UHFFFAOYSA-N	-2	3	382.355	2.248	20	50		GEGDHL
Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2[O-])cc(-c2nn[n-]n2)n1C	ZINC000826235876	607996940	/nfs/dbraw/zinc/99/69/40/607996940.db2.gz	TXCSMJRRJQAGEV-WDZFZDKYSA-N	-2	3	383.799	2.418	20	50		GEGDHL
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc2c(cc1[O-])CCCC2	ZINC000826445793	608573790	/nfs/dbraw/zinc/57/37/90/608573790.db2.gz	KLHDMMXKVXAZDF-UHFFFAOYSA-N	-2	3	385.815	2.256	20	50		GEGDHL
N#CC(=Cc1ccc([O-])cc1)C(=O)OCC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000833063813	601590676	/nfs/dbraw/zinc/59/06/76/601590676.db2.gz	MJQLXFFNIASNIQ-OQLLNIDSSA-N	-2	3	395.371	2.249	20	50		GEGDHL
O=C([O-])N(CC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1	ZINC000831451520	605238176	/nfs/dbraw/zinc/23/81/76/605238176.db2.gz	YXJDDGUELSPOEE-UHFFFAOYSA-N	-2	3	392.209	2.395	20	50		GEGDHL
O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(CCCl)cc1	ZINC000823583565	606212393	/nfs/dbraw/zinc/21/23/93/606212393.db2.gz	UNQHBSKWIQFZEV-UHFFFAOYSA-N	-2	3	379.829	2.154	20	50		GEGDHL
O=C([N-]NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823277563	606554396	/nfs/dbraw/zinc/55/43/96/606554396.db2.gz	QERJTUUAAVSSPC-UHFFFAOYSA-N	-2	3	382.327	2.022	20	50		GEGDHL
CC(C)c1nc(-c2nnn[n-]2)c(N[N-]C(=O)C(F)(F)c2ccccc2F)o1	ZINC000824352363	608237396	/nfs/dbraw/zinc/23/73/96/608237396.db2.gz	BBFBLPZNABRLRV-UHFFFAOYSA-N	-2	3	381.318	2.352	20	50		GEGDHL
CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823948725	609159170	/nfs/dbraw/zinc/15/91/70/609159170.db2.gz	VFRMIDCMKDFVAR-UHFFFAOYSA-N	-2	3	383.343	2.250	20	50		GEGDHL
CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823948725	609159172	/nfs/dbraw/zinc/15/91/72/609159172.db2.gz	VFRMIDCMKDFVAR-UHFFFAOYSA-N	-2	3	383.343	2.250	20	50		GEGDHL
O=C([O-])c1cc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)ccn1	ZINC000833149311	601284792	/nfs/dbraw/zinc/28/47/92/601284792.db2.gz	MCUMTZIXYDVODD-UHFFFAOYSA-N	-2	3	398.600	2.271	20	50		GEGDHL
O=C([O-])NC[C@H](C(=O)N[N-]C(=O)c1ccc2ccccc2n1)c1ccccc1	ZINC000832407202	603210539	/nfs/dbraw/zinc/21/05/39/603210539.db2.gz	HJUAPDFTQSIXSV-HNNXBMFYSA-N	-2	3	378.388	2.047	20	50		GEGDHL
CC(C)c1nc(C(=O)[N-]N=c2ccc(C(=O)[O-])c[nH]2)nn1-c1cccc(F)c1	ZINC000833511400	604806820	/nfs/dbraw/zinc/80/68/20/604806820.db2.gz	PWSJQMSCLIEODS-UHFFFAOYSA-N	-2	3	384.371	2.380	20	50		GEGDHL
O=C([O-])NN=C([O-])NCCOc1ccc(Br)cc1C(F)(F)F	ZINC000834251521	605941617	/nfs/dbraw/zinc/94/16/17/605941617.db2.gz	WRFDUAYXUHZZLM-UHFFFAOYSA-N	-2	3	386.124	2.329	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000826379039	608876808	/nfs/dbraw/zinc/87/68/08/608876808.db2.gz	HUYUEMQUUSXKBO-XFFZJAGNSA-N	-2	3	378.323	2.250	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000826379039	608876810	/nfs/dbraw/zinc/87/68/10/608876810.db2.gz	HUYUEMQUUSXKBO-XFFZJAGNSA-N	-2	3	378.323	2.250	20	50		GEGDHL
COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000832143059	600929672	/nfs/dbraw/zinc/92/96/72/600929672.db2.gz	JFMNKVGJWZLVHN-ZJUUUORDSA-N	-2	3	399.241	2.110	20	50		GEGDHL
CC(C)c1nc(C(=O)[N-]N=c2ccc(C(=O)[O-])c[nH]2)nn1-c1ccccc1F	ZINC000833511439	604800958	/nfs/dbraw/zinc/80/09/58/604800958.db2.gz	RZKJJNWIQICVHJ-UHFFFAOYSA-N	-2	3	384.371	2.380	20	50		GEGDHL
O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)o1	ZINC000823277665	606364111	/nfs/dbraw/zinc/36/41/11/606364111.db2.gz	UJIMBUUTEWRAFL-UHFFFAOYSA-N	-2	3	390.359	2.327	20	50		GEGDHL
O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)o1	ZINC000823277665	606364112	/nfs/dbraw/zinc/36/41/12/606364112.db2.gz	UJIMBUUTEWRAFL-UHFFFAOYSA-N	-2	3	390.359	2.327	20	50		GEGDHL
N#CC(=Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826379163	608217038	/nfs/dbraw/zinc/21/70/38/608217038.db2.gz	KRXHQPCLZJSSCB-OVCLIPMQSA-N	-2	3	375.344	2.120	20	50		GEGDHL
N#CC(=Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826379163	608217040	/nfs/dbraw/zinc/21/70/40/608217040.db2.gz	KRXHQPCLZJSSCB-OVCLIPMQSA-N	-2	3	375.344	2.120	20	50		GEGDHL
O=C([O-])[C@@H]1CCC[C@H](C(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1	ZINC000833148922	600898708	/nfs/dbraw/zinc/89/87/08/600898708.db2.gz	BIETXKGEZRCKIV-DTWKUNHWSA-N	-2	3	387.205	2.240	20	50		GEGDHL
C[C@@H](OC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000827803212	601590091	/nfs/dbraw/zinc/59/00/91/601590091.db2.gz	KVIQAGVMLZSHOS-OMJMQIJPSA-N	-2	3	394.383	2.245	20	50		GEGDHL
CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2ccc(C(=O)[O-])c(F)c2)o1	ZINC000829680417	604950357	/nfs/dbraw/zinc/95/03/57/604950357.db2.gz	ZROACNPWBZEOLR-UHFFFAOYSA-N	-2	3	377.372	2.034	20	50		GEGDHL
Cc1ccc(Sc2ncccc2C(=O)[N-]NC(=O)CCNC(=O)[O-])c(C)c1	ZINC000833907354	605844130	/nfs/dbraw/zinc/84/41/30/605844130.db2.gz	HKIQVBGDBBRTFU-UHFFFAOYSA-N	-2	3	388.449	2.268	20	50		GEGDHL
O=C([N-]NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cc2ccccc2o1	ZINC000823281550	606619325	/nfs/dbraw/zinc/61/93/25/606619325.db2.gz	UXFQWYVVSMLQRH-UHFFFAOYSA-N	-2	3	379.405	2.244	20	50		GEGDHL
O=C([N-]NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cc2ccccc2o1	ZINC000823281550	606619327	/nfs/dbraw/zinc/61/93/27/606619327.db2.gz	UXFQWYVVSMLQRH-UHFFFAOYSA-N	-2	3	379.405	2.244	20	50		GEGDHL
Cc1oc(S(=O)(=O)[N-][N-]C(=O)CC23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-]	ZINC000833027900	601231403	/nfs/dbraw/zinc/23/14/03/601231403.db2.gz	ZUPMKMIEERCPEC-UHFFFAOYSA-N	-3	3	396.465	2.202	20	50		GEGDHL
O=C([O-])Nc1ccc(C(=O)NN=c2[n-]c(Br)cn3ccnc23)cc1	ZINC000832839421	604069441	/nfs/dbraw/zinc/06/94/41/604069441.db2.gz	XTKZZFBJISMUIM-UHFFFAOYSA-N	-2	3	391.185	2.339	20	50		GEGDHL
O=C(NN=c1[n-]c(-c2ccc(Cl)cc2)no1)c1cc(-c2nnn[n-]2)cs1	ZINC000823280884	606572546	/nfs/dbraw/zinc/57/25/46/606572546.db2.gz	HQKCFYKNTJTNEE-UHFFFAOYSA-N	-2	3	388.800	2.389	20	50		GEGDHL
O=C(NN=c1[n-]c(-c2ccc(Cl)cc2)no1)c1cc(-c2nn[n-]n2)cs1	ZINC000823280884	606572548	/nfs/dbraw/zinc/57/25/48/606572548.db2.gz	HQKCFYKNTJTNEE-UHFFFAOYSA-N	-2	3	388.800	2.389	20	50		GEGDHL
COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1[O-]	ZINC000826179115	608216360	/nfs/dbraw/zinc/21/63/60/608216360.db2.gz	ZUVCLRZVDFDFTB-ACAGNQJTSA-N	-2	3	392.331	2.279	20	50		GEGDHL
COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1[O-]	ZINC000826179115	608216362	/nfs/dbraw/zinc/21/63/62/608216362.db2.gz	ZUVCLRZVDFDFTB-ACAGNQJTSA-N	-2	3	392.331	2.279	20	50		GEGDHL
COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000832143057	600929677	/nfs/dbraw/zinc/92/96/77/600929677.db2.gz	JFMNKVGJWZLVHN-UWVGGRQHSA-N	-2	3	399.241	2.110	20	50		GEGDHL
O=C([O-])N(CC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl)C1CC1	ZINC000834000954	605973400	/nfs/dbraw/zinc/97/34/00/605973400.db2.gz	DIHRBQKZFPRZIN-UHFFFAOYSA-N	-2	3	390.621	2.006	20	50		GEGDHL
Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2[O-])cc(-c2nn[n-]n2)n1C	ZINC000826235875	607996751	/nfs/dbraw/zinc/99/67/51/607996751.db2.gz	TXCSMJRRJQAGEV-IZZDOVSWSA-N	-2	3	383.799	2.418	20	50		GEGDHL
C[C@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)C1CCN(C(=O)[O-])CC1	ZINC000824671980	604633958	/nfs/dbraw/zinc/63/39/58/604633958.db2.gz	OSTTWLZAGRBIAY-CYBMUJFWSA-N	-2	3	384.436	2.412	20	50		GEGDHL
C[C@@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)C1CCN(C(=O)[O-])CC1	ZINC000824671981	604634397	/nfs/dbraw/zinc/63/43/97/604634397.db2.gz	OSTTWLZAGRBIAY-ZDUSSCGKSA-N	-2	3	384.436	2.412	20	50		GEGDHL
O=C([O-])N[C@H](CC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1)c1ccccc1	ZINC000834126341	605613106	/nfs/dbraw/zinc/61/31/06/605613106.db2.gz	KSLQZRCYDJLYFE-QGZVFWFLSA-N	-2	3	393.403	2.032	20	50		GEGDHL
Cc1cccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)c1C(=O)[O-]	ZINC000832972492	601335637	/nfs/dbraw/zinc/33/56/37/601335637.db2.gz	DCLMETJBROFKRC-UHFFFAOYSA-N	-3	3	386.788	2.109	20	50		GEGDHL
CC(C)(CNC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl)C(=O)[O-]	ZINC000826584545	601670936	/nfs/dbraw/zinc/67/09/36/601670936.db2.gz	BIBIWDDBEWMIHO-UHFFFAOYSA-N	-2	3	392.637	2.157	20	50		GEGDHL
O=C([O-])Nc1cc(C(=O)NN=C([O-])NCC(F)(F)F)cc(C(F)(F)F)c1	ZINC000833282579	602062260	/nfs/dbraw/zinc/06/22/60/602062260.db2.gz	ZFCZNTOGBSPUEI-UHFFFAOYSA-N	-2	3	388.224	2.302	20	50		GEGDHL
O=C([O-])Nc1cc(C(=O)N[N-]C(=O)NCC(F)(F)F)cc(C(F)(F)F)c1	ZINC000833282579	602062262	/nfs/dbraw/zinc/06/22/62/602062262.db2.gz	ZFCZNTOGBSPUEI-UHFFFAOYSA-N	-2	3	388.224	2.302	20	50		GEGDHL
O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000832475152	604188567	/nfs/dbraw/zinc/18/85/67/604188567.db2.gz	LOBFUFZZMMMJGX-PRHODGIISA-N	-2	3	389.239	2.374	20	50		GEGDHL
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[N-]C(=O)c1ccc(F)cc1Br	ZINC000832845600	604286778	/nfs/dbraw/zinc/28/67/78/604286778.db2.gz	IIVWINJECNOKRD-UHFFFAOYSA-N	-2	3	398.188	2.306	20	50		GEGDHL
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2ccccc2Br)cc1F	ZINC000833149704	604807195	/nfs/dbraw/zinc/80/71/95/604807195.db2.gz	ZHGUYOFJQBYJJB-UHFFFAOYSA-N	-2	3	381.157	2.361	20	50		GEGDHL
O=C([O-])Nc1ccc(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)c([O-])c1	ZINC000834254709	605628496	/nfs/dbraw/zinc/62/84/96/605628496.db2.gz	BRODROIWEUBVPO-UHFFFAOYSA-N	-3	3	382.332	2.212	20	50		GEGDHL
COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1[O-]	ZINC000826179116	608216681	/nfs/dbraw/zinc/21/66/81/608216681.db2.gz	ZUVCLRZVDFDFTB-WLRTZDKTSA-N	-2	3	392.331	2.279	20	50		GEGDHL
COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1[O-]	ZINC000826179116	608216683	/nfs/dbraw/zinc/21/66/83/608216683.db2.gz	ZUVCLRZVDFDFTB-WLRTZDKTSA-N	-2	3	392.331	2.279	20	50		GEGDHL
O=C([O-])N1CC[C@]2(C1)CC(=NNC(=O)c1ccccc1[O-])c1ccccc1O2	ZINC000834044961	605623006	/nfs/dbraw/zinc/62/30/06/605623006.db2.gz	JUTMXSLZOGGDNN-HXUWFJFHSA-N	-2	3	381.388	2.431	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000826379347	608874879	/nfs/dbraw/zinc/87/48/79/608874879.db2.gz	PMCIWEIZXKBCPI-GHXNOFRVSA-N	-2	3	378.323	2.250	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000826379347	608874881	/nfs/dbraw/zinc/87/48/81/608874881.db2.gz	PMCIWEIZXKBCPI-GHXNOFRVSA-N	-2	3	378.323	2.250	20	50		GEGDHL
Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC000832915022	601141803	/nfs/dbraw/zinc/14/18/03/601141803.db2.gz	BBPOXTSARXYNJG-OVCLIPMQSA-N	-2	3	380.356	2.488	20	50		GEGDHL
O=C([O-])Nc1cccc(C(=O)NN=c2[n-]c(Br)cn3ccnc23)c1	ZINC000833291659	601453918	/nfs/dbraw/zinc/45/39/18/601453918.db2.gz	NWJZMYAJGRODID-UHFFFAOYSA-N	-2	3	391.185	2.339	20	50		GEGDHL
O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1[O-]	ZINC000826446403	607563609	/nfs/dbraw/zinc/56/36/09/607563609.db2.gz	KBSDETOYCLEULA-UHFFFAOYSA-N	-2	3	382.277	2.487	20	50		GEGDHL
O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1[O-]	ZINC000826446403	607563611	/nfs/dbraw/zinc/56/36/11/607563611.db2.gz	KBSDETOYCLEULA-UHFFFAOYSA-N	-2	3	382.277	2.487	20	50		GEGDHL
Cc1ccc(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)cc1NC(=O)[O-]	ZINC000830225670	602928734	/nfs/dbraw/zinc/92/87/34/602928734.db2.gz	SLXMFYYRCVMDBE-UHFFFAOYSA-N	-2	3	379.376	2.345	20	50		GEGDHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000826117301	603634848	/nfs/dbraw/zinc/63/48/48/603634848.db2.gz	YKTAQPVOCXTPJG-CPCISQLKSA-N	-2	3	390.223	2.258	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000826379040	608877415	/nfs/dbraw/zinc/87/74/15/608877415.db2.gz	HUYUEMQUUSXKBO-YRNVUSSQSA-N	-2	3	378.323	2.250	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000826379040	608877416	/nfs/dbraw/zinc/87/74/16/608877416.db2.gz	HUYUEMQUUSXKBO-YRNVUSSQSA-N	-2	3	378.323	2.250	20	50		GEGDHL
CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823948401	609276639	/nfs/dbraw/zinc/27/66/39/609276639.db2.gz	KVIKSCDWCIEOCQ-UHFFFAOYSA-N	-2	3	383.343	2.250	20	50		GEGDHL
CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823948401	609276640	/nfs/dbraw/zinc/27/66/40/609276640.db2.gz	KVIKSCDWCIEOCQ-UHFFFAOYSA-N	-2	3	383.343	2.250	20	50		GEGDHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000826117304	603634866	/nfs/dbraw/zinc/63/48/66/603634866.db2.gz	YKTAQPVOCXTPJG-WRWORJQWSA-N	-2	3	390.223	2.258	20	50		GEGDHL
O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000832475151	604188648	/nfs/dbraw/zinc/18/86/48/604188648.db2.gz	LOBFUFZZMMMJGX-PELKAZGASA-N	-2	3	389.239	2.374	20	50		GEGDHL
O=C([O-])N1CC[C@@]2(C1)CC(=NNC(=O)c1ccc([O-])cc1)c1ccccc1O2	ZINC000834044981	605623315	/nfs/dbraw/zinc/62/33/15/605623315.db2.gz	KMOWTPAWROVMMI-FQEVSTJZSA-N	-2	3	381.388	2.431	20	50		GEGDHL
O=C([O-])N1CC[C@]2(C1)CC(=NNC(=O)c1ccc([O-])cc1)c1ccccc1O2	ZINC000834044982	605623454	/nfs/dbraw/zinc/62/34/54/605623454.db2.gz	KMOWTPAWROVMMI-HXUWFJFHSA-N	-2	3	381.388	2.431	20	50		GEGDHL
O=C([N-]NC(=S)Nc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823281243	606131961	/nfs/dbraw/zinc/13/19/61/606131961.db2.gz	PUXBYIVECCTZGD-UHFFFAOYSA-N	-2	3	379.858	2.213	20	50		GEGDHL
CCC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(C(=O)[O-])ccc1F	ZINC000825027969	607930773	/nfs/dbraw/zinc/93/07/73/607930773.db2.gz	ATNHGQKEHNBLPD-UHFFFAOYSA-N	-2	3	382.355	2.248	20	50		GEGDHL
CCC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(C(=O)[O-])ccc1F	ZINC000825027969	607930774	/nfs/dbraw/zinc/93/07/74/607930774.db2.gz	ATNHGQKEHNBLPD-UHFFFAOYSA-N	-2	3	382.355	2.248	20	50		GEGDHL
O=C([O-])[C@H]1CCC[C@@H](C(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1	ZINC000833148915	600898938	/nfs/dbraw/zinc/89/89/38/600898938.db2.gz	BIETXKGEZRCKIV-BDAKNGLRSA-N	-2	3	387.205	2.240	20	50		GEGDHL
O=C([O-])N1CCSC[C@H]1CC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000831414417	605602598	/nfs/dbraw/zinc/60/25/98/605602598.db2.gz	NUUSXZLXPGLVSX-SECBINFHSA-N	-2	3	392.264	2.240	20	50		GEGDHL
C[C@H](OC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000827803211	601589851	/nfs/dbraw/zinc/58/98/51/601589851.db2.gz	KVIQAGVMLZSHOS-NWRYFCBHSA-N	-2	3	394.383	2.245	20	50		GEGDHL
N#CC(=Cc1ccc([O-])cc1)C(=O)OCC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000833063809	601590477	/nfs/dbraw/zinc/59/04/77/601590477.db2.gz	MJQLXFFNIASNIQ-DHDCSXOGSA-N	-2	3	395.371	2.249	20	50		GEGDHL
O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)CCC1CCCCC1	ZINC000833096273	601839952	/nfs/dbraw/zinc/83/99/52/601839952.db2.gz	CUXDDIBDHOJAHC-UHFFFAOYSA-N	-3	3	389.861	2.103	20	50		GEGDHL
C[C@H](CC(=O)[O-])C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000827304485	602297970	/nfs/dbraw/zinc/29/79/70/602297970.db2.gz	VZXDNUULJRXYOL-GFCCVEGCSA-N	-2	3	377.422	2.041	20	50		GEGDHL
O=C([O-])NCCCCC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl	ZINC000834234308	605903907	/nfs/dbraw/zinc/90/39/07/605903907.db2.gz	OLVQNMWXZIPXJE-UHFFFAOYSA-N	-2	3	392.637	2.301	20	50		GEGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cnc2ccccc2c1C(F)(F)F	ZINC000834229688	605979289	/nfs/dbraw/zinc/97/92/89/605979289.db2.gz	FXFSCYDKGSVRBP-UHFFFAOYSA-N	-2	3	384.314	2.062	20	50		GEGDHL
CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)NN=c2ccc(Cl)n[n-]2)s1	ZINC000833447018	605482224	/nfs/dbraw/zinc/48/22/24/605482224.db2.gz	VYRCIFOMGPQNLB-UHFFFAOYSA-N	-2	3	397.844	2.269	20	50		GEGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(-c2ccc(F)cc2)cc1F	ZINC000834230077	605979276	/nfs/dbraw/zinc/97/92/76/605979276.db2.gz	PLZUCPBAGQOVOW-UHFFFAOYSA-N	-2	3	377.347	2.441	20	50		GEGDHL
CC(C)c1nc(-c2nnn[n-]2)c(N[N-]C(=O)C(F)(F)c2c(F)cccc2F)o1	ZINC000824352615	607936301	/nfs/dbraw/zinc/93/63/01/607936301.db2.gz	KMMSTBGLRFDLPA-UHFFFAOYSA-N	-2	3	399.308	2.491	20	50		GEGDHL
CC(C)c1nc(-c2nn[n-]n2)c(N[N-]C(=O)C(F)(F)c2c(F)cccc2F)o1	ZINC000824352615	607936302	/nfs/dbraw/zinc/93/63/02/607936302.db2.gz	KMMSTBGLRFDLPA-UHFFFAOYSA-N	-2	3	399.308	2.491	20	50		GEGDHL
Cc1cc(C(=O)N[N-]C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c(C)o1	ZINC000826259760	607964184	/nfs/dbraw/zinc/96/41/84/607964184.db2.gz	DNSJTHBDQDBRKN-UHFFFAOYSA-N	-2	3	395.206	2.458	20	50		GEGDHL
C[C@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824672150	604281598	/nfs/dbraw/zinc/28/15/98/604281598.db2.gz	RZHUILGRZSENLL-UKRRQHHQSA-N	-2	3	384.436	2.412	20	50		GEGDHL
CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1ccc(F)cc1Br	ZINC000833454663	605702738	/nfs/dbraw/zinc/70/27/38/605702738.db2.gz	RKCMGRBRSSKCNS-UHFFFAOYSA-N	-2	3	375.194	2.240	20	50		GEGDHL
COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000832143058	600929686	/nfs/dbraw/zinc/92/96/86/600929686.db2.gz	JFMNKVGJWZLVHN-VHSXEESVSA-N	-2	3	399.241	2.110	20	50		GEGDHL
C[C@@H](OC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000827803213	601589902	/nfs/dbraw/zinc/58/99/02/601589902.db2.gz	KVIQAGVMLZSHOS-VGSSETLESA-N	-2	3	394.383	2.245	20	50		GEGDHL
Cc1cc(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc(C)c1OCC(=O)[O-]	ZINC000832864680	601674058	/nfs/dbraw/zinc/67/40/58/601674058.db2.gz	RDHQCCHFCRWIIU-UHFFFAOYSA-N	-2	3	393.399	2.390	20	50		GEGDHL
C[C@@H](CN(C)C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl	ZINC000824868139	604150435	/nfs/dbraw/zinc/15/04/35/604150435.db2.gz	JLJHUVWBUOCBIO-ZETCQYMHSA-N	-2	3	392.637	2.109	20	50		GEGDHL
O=C([O-])N1CC[C@@]2(C1)CC(=NNC(=O)c1ccccc1[O-])c1ccccc1O2	ZINC000834044960	605623213	/nfs/dbraw/zinc/62/32/13/605623213.db2.gz	JUTMXSLZOGGDNN-FQEVSTJZSA-N	-2	3	381.388	2.431	20	50		GEGDHL
CC(C)(C)n1cc(C(=O)[N-]N=c2ccc(C(=O)[O-])c[nH]2)c(Br)n1	ZINC000833453119	605719539	/nfs/dbraw/zinc/71/95/39/605719539.db2.gz	UBDSVCCBJWOPBD-UHFFFAOYSA-N	-2	3	382.218	2.251	20	50		GEGDHL
O=C([N-]NC(=O)c1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl	ZINC000826445429	607832724	/nfs/dbraw/zinc/83/27/24/607832724.db2.gz	UJIPXIXQFQJPRP-UHFFFAOYSA-N	-2	3	377.191	2.248	20	50		GEGDHL
O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)ns1	ZINC000823277564	599700403	/nfs/dbraw/zinc/70/04/03/599700403.db2.gz	QHASRQUKWIIJML-UHFFFAOYSA-N	-2	3	391.416	2.065	20	50		GEGDHL
O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)ns1	ZINC000823277564	599700404	/nfs/dbraw/zinc/70/04/04/599700404.db2.gz	QHASRQUKWIIJML-UHFFFAOYSA-N	-2	3	391.416	2.065	20	50		GEGDHL
O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)c1cc(-c2nn[n-]n2)cs1	ZINC000823277559	606534351	/nfs/dbraw/zinc/53/43/51/606534351.db2.gz	PVDVQCVLKIMMAO-UHFFFAOYSA-N	-2	3	383.220	2.310	20	50		GEGDHL
O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1[O-]	ZINC000826448872	607464386	/nfs/dbraw/zinc/46/43/86/607464386.db2.gz	PYRXLTXVGRTTKR-UHFFFAOYSA-N	-2	3	375.186	2.092	20	50		GEGDHL
O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1[O-]	ZINC000826448872	607464388	/nfs/dbraw/zinc/46/43/88/607464388.db2.gz	PYRXLTXVGRTTKR-UHFFFAOYSA-N	-2	3	375.186	2.092	20	50		GEGDHL
O=C([O-])[C@H]1CCC[C@H](C(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1	ZINC000833148923	600898884	/nfs/dbraw/zinc/89/88/84/600898884.db2.gz	BIETXKGEZRCKIV-IUCAKERBSA-N	-2	3	387.205	2.240	20	50		GEGDHL
Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC000832915021	601141793	/nfs/dbraw/zinc/14/17/93/601141793.db2.gz	BBPOXTSARXYNJG-NVNXTCNLSA-N	-2	3	380.356	2.488	20	50		GEGDHL
C[C@@H](CC(=O)[O-])C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000827304486	602298082	/nfs/dbraw/zinc/29/80/82/602298082.db2.gz	VZXDNUULJRXYOL-LBPRGKRZSA-N	-2	3	377.422	2.041	20	50		GEGDHL
O=C([O-])NC[C@@H](C(=O)N[N-]C(=O)c1ccc2ccccc2n1)c1ccccc1	ZINC000832407204	603210559	/nfs/dbraw/zinc/21/05/59/603210559.db2.gz	HJUAPDFTQSIXSV-OAHLLOKOSA-N	-2	3	378.388	2.047	20	50		GEGDHL
O=C([O-])N[C@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)Cc1ccccc1	ZINC000832104167	603435296	/nfs/dbraw/zinc/43/52/96/603435296.db2.gz	DYVDTWTUTGGFEO-INIZCTEOSA-N	-2	3	392.415	2.265	20	50		GEGDHL
O=C([O-])N(CCNC(=O)NNC(=O)c1ccccc1[O-])C1CCCCCC1	ZINC000831685071	604283163	/nfs/dbraw/zinc/28/31/63/604283163.db2.gz	JTQGSLOOLVRROM-UHFFFAOYSA-N	-2	3	378.429	2.039	20	50		GEGDHL
O=C([O-])c1cccc(CC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1	ZINC000833765950	604716453	/nfs/dbraw/zinc/71/64/53/604716453.db2.gz	YXVVLCZDVMSNBB-UHFFFAOYSA-N	-2	3	395.184	2.290	20	50		GEGDHL
CC(C)(C(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])c1ccccc1	ZINC000833411611	605167638	/nfs/dbraw/zinc/16/76/38/605167638.db2.gz	KSWHUJPDJMVKHY-UHFFFAOYSA-N	-3	3	396.852	2.326	20	50		GEGDHL
C[C@@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824672148	604281608	/nfs/dbraw/zinc/28/16/08/604281608.db2.gz	RZHUILGRZSENLL-DZGCQCFKSA-N	-2	3	384.436	2.412	20	50		GEGDHL
O=C([O-])N[C@@H](CC(=O)N[N-]C(=O)c1ccc2ccccc2n1)c1ccccc1	ZINC000832105819	605563711	/nfs/dbraw/zinc/56/37/11/605563711.db2.gz	RCRGCZHWPMFRAL-KRWDZBQOSA-N	-2	3	378.388	2.395	20	50		GEGDHL
O=C([N-]N=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1nc(Cl)ccc1Cl	ZINC000826445715	608576439	/nfs/dbraw/zinc/57/64/39/608576439.db2.gz	GTSJRXPHCFLLHY-UHFFFAOYSA-N	-2	3	385.602	2.374	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000826379348	608874740	/nfs/dbraw/zinc/87/47/40/608874740.db2.gz	PMCIWEIZXKBCPI-KPKJPENVSA-N	-2	3	378.323	2.250	20	50		GEGDHL
N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000826379348	608874742	/nfs/dbraw/zinc/87/47/42/608874742.db2.gz	PMCIWEIZXKBCPI-KPKJPENVSA-N	-2	3	378.323	2.250	20	50		GEGDHL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000826117302	603634656	/nfs/dbraw/zinc/63/46/56/603634656.db2.gz	YKTAQPVOCXTPJG-HQJQHLMTSA-N	-2	3	390.223	2.258	20	50		GEGDHL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000826117303	603635172	/nfs/dbraw/zinc/63/51/72/603635172.db2.gz	YKTAQPVOCXTPJG-RDDDGLTNSA-N	-2	3	390.223	2.258	20	50		GEGDHL
Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)NN=c2ccc(Cl)n[n-]2)c1	ZINC000833754399	604737467	/nfs/dbraw/zinc/73/74/67/604737467.db2.gz	NRZFGYOOLZIXCQ-UHFFFAOYSA-N	-2	3	387.787	2.471	20	50		GEGDHL
O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000832475154	604188539	/nfs/dbraw/zinc/18/85/39/604188539.db2.gz	LOBFUFZZMMMJGX-UFBFGSQYSA-N	-2	3	389.239	2.374	20	50		GEGDHL
O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1	ZINC000833148924	600898928	/nfs/dbraw/zinc/89/89/28/600898928.db2.gz	BIETXKGEZRCKIV-RKDXNWHRSA-N	-2	3	387.205	2.240	20	50		GEGDHL
CN(C(=O)COC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccccc1C(=O)[O-]	ZINC000830485684	601590308	/nfs/dbraw/zinc/59/03/08/601590308.db2.gz	MUPDQYIMDSFEAX-GXDHUFHOSA-N	-2	3	380.356	2.204	20	50		GEGDHL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(Br)cn3ccnc23)s1	ZINC000833311203	601453840	/nfs/dbraw/zinc/45/38/40/601453840.db2.gz	CJBDXRJDEJGUCO-UHFFFAOYSA-N	-2	3	382.199	2.008	20	50		GEGDHL
O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N[N-]C(=O)c1ccc3ccccc3n1)C2	ZINC000831308224	603821895	/nfs/dbraw/zinc/82/18/95/603821895.db2.gz	OXSZVJFLCCYJFT-LQDVMPOASA-N	-2	3	382.420	2.307	20	50		GEGDHL
Cc1cc(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)ccc1NC(=O)[O-]	ZINC000829961540	605688614	/nfs/dbraw/zinc/68/86/14/605688614.db2.gz	JGWNXCXSRCLFHO-UHFFFAOYSA-N	-2	3	379.376	2.345	20	50		GEGDHL
N#CC(=Cc1cccc(OCC(=O)[O-])c1)C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826379662	608215871	/nfs/dbraw/zinc/21/58/71/608215871.db2.gz	YIKWLIQDPDWGJS-CHHVJCJISA-N	-2	3	375.344	2.120	20	50		GEGDHL
N#CC(=Cc1cccc(OCC(=O)[O-])c1)C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826379662	608215873	/nfs/dbraw/zinc/21/58/73/608215873.db2.gz	YIKWLIQDPDWGJS-CHHVJCJISA-N	-2	3	375.344	2.120	20	50		GEGDHL