smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)c2cccs2)s1	ZINC000083150788	185214521	/nfs/dbraw/zinc/21/45/21/185214521.db2.gz	MBSQDNKUZZQXGS-UHFFFAOYSA-N	-1	0	302.402	2.515	40	30		DFEBRM
O=C([N-]S(=O)(=O)c1cccc2cccnc21)c1cccs1	ZINC000078814595	398989993	/nfs/dbraw/zinc/98/99/93/398989993.db2.gz	XVJOLDDKXYXJPJ-UHFFFAOYSA-N	-1	0	318.379	2.990	40	30		DFEBRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1	ZINC000084185465	542506927	/nfs/dbraw/zinc/50/69/27/542506927.db2.gz	FZQUEABVXRQNHK-UHFFFAOYSA-N	-1	0	322.386	2.656	40	30		DFEBRM
NC(=O)Cn1cc(/C=N/c2cccc(C(=O)[O-])c2)c2ccccc21	ZINC000409385054	257220046	/nfs/dbraw/zinc/22/00/46/257220046.db2.gz	ILFKELKGJFQGIE-AWQFTUOYSA-N	-1	0	321.336	2.575	40	30		DFEBRM
COC(=O)c1cccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000409108323	257222764	/nfs/dbraw/zinc/22/27/64/257222764.db2.gz	VZBPCACJWYAJEK-SXGWCWSVSA-N	-1	0	300.270	2.838	40	30		DFEBRM
O=C([O-])c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1	ZINC000408931727	257225289	/nfs/dbraw/zinc/22/52/89/257225289.db2.gz	PLEZMXRDJVEWJM-CPNJWEJPSA-N	-1	0	310.353	2.972	40	30		DFEBRM
C=CCn1c(C)c([C@H]2N[C@H](C(=O)[O-])CS2)c2ccccc21	ZINC000408810866	257226820	/nfs/dbraw/zinc/22/68/20/257226820.db2.gz	JWWOWBCULATBSH-WFASDCNBSA-N	-1	0	302.399	2.924	40	30		DFEBRM
C/C(=N\c1cccc(N)c1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362627	257232298	/nfs/dbraw/zinc/23/22/98/257232298.db2.gz	BWIQTVUYNVMRKR-RGVLZGJSSA-N	-1	0	307.353	2.967	40	30		DFEBRM
O=C(N=S(=O)([O-])c1ccc2c(c1)CCC2)NC1CCCCC1	ZINC000000001515	425529445	/nfs/dbraw/zinc/52/94/45/425529445.db2.gz	NFRPNQDSKJJQGV-UHFFFAOYSA-N	-1	0	322.430	2.700	40	30	in-man	DFEBRM
N#CC(=NNc1ccc(C(=O)[O-])cc1)c1nc2ccccc2[nH]1	ZINC000005729135	425625566	/nfs/dbraw/zinc/62/55/66/425625566.db2.gz	WVAYDMXHOUHCIA-KGENOOAVSA-N	-1	0	305.297	2.601	40	30		DFEBRM
C#CC(CC)(CC)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000225787619	426612278	/nfs/dbraw/zinc/61/22/78/426612278.db2.gz	ZICYFJFBRYHUNY-VRKREXBASA-N	-1	0	317.429	2.988	40	30		DFEBRM
N#Cc1c(N)nc2c(c1-c1ccc([O-])c([N+](=O)[O-])c1)CCCC2	ZINC000408980712	428675575	/nfs/dbraw/zinc/67/55/75/428675575.db2.gz	SOWUUYSDIXBLMX-UHFFFAOYSA-N	-1	0	310.313	2.695	40	30		DFEBRM
C=CCNC(=S)N/N=C\c1cc(Cl)c([O-])c(Cl)c1	ZINC000035409481	518948519	/nfs/dbraw/zinc/94/85/19/518948519.db2.gz	KETFSPZZZXUMQB-UUASQNMZSA-N	-1	0	304.202	2.683	40	30		DFEBRM
N=C1SC(=Cc2ccc(O)cc2O)C([O-])=C1c1nccs1	ZINC000108057575	398706502	/nfs/dbraw/zinc/70/65/02/398706502.db2.gz	JDLGCZOOMNRUMM-NANCZRHCSA-N	-1	0	318.379	2.972	40	30		DFEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)ON=C2CCCCC2)cc1	ZINC000016310273	182039780	/nfs/dbraw/zinc/03/97/80/182039780.db2.gz	MLZQVBGRNAYWFQ-UHFFFAOYSA-N	-1	0	310.375	2.730	40	30		DFEBRM
COc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)c(O)c1	ZINC000007890660	425653741	/nfs/dbraw/zinc/65/37/41/425653741.db2.gz	OMJCHZSIEAYFBS-LICLKQGHSA-N	-1	0	300.314	2.935	40	30		DFEBRM
CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccccc1COC	ZINC000079037149	521534021	/nfs/dbraw/zinc/53/40/21/521534021.db2.gz	CDAKZRWFGOXLOC-UHFFFAOYSA-N	-1	0	313.419	2.904	40	30		DFEBRM
CCC(CC)CS(=O)(=O)[N-]C(=O)CCc1cscn1	ZINC000079102111	521534296	/nfs/dbraw/zinc/53/42/96/521534296.db2.gz	LOVWHPNVAQUJBS-UHFFFAOYSA-N	-1	0	304.437	2.798	40	30		DFEBRM
COc1ccccc1NC(=O)COc1ccccc1/C=N\[O-]	ZINC000108095006	398706677	/nfs/dbraw/zinc/70/66/77/398706677.db2.gz	RJMRSNMZXRQFRB-YVLHZVERSA-N	-1	0	300.314	2.521	40	30		DFEBRM
Cc1ccc2nc3[n-]c(NN=Cc4ccncc4)nnc-3c2c1	ZINC000004611308	181129245	/nfs/dbraw/zinc/12/92/45/181129245.db2.gz	LXHKBUUTMDVKFG-GIJQJNRQSA-N	-1	0	303.329	2.656	40	30		DFEBRM
COc1ccccc1-c1c(C)[n-]n2c1nc(C)c(CCC#N)c2=O	ZINC000010338588	181666868	/nfs/dbraw/zinc/66/68/68/181666868.db2.gz	UWFGIWWTOZQZJH-UHFFFAOYSA-N	-1	0	322.368	2.771	40	30		DFEBRM
CC=C(CC1=C([O-])c2ccccc2C(=O)C1=O)C(=O)OCC	ZINC000016951433	182065815	/nfs/dbraw/zinc/06/58/15/182065815.db2.gz	OHPSXRRMWYCTQO-XCVCLJGOSA-N	-1	0	300.310	2.777	40	30		DFEBRM
CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(C(C)C)n1	ZINC000083769347	542503564	/nfs/dbraw/zinc/50/35/64/542503564.db2.gz	MTZIGIVRUFLCMA-GFCCVEGCSA-N	-1	0	315.439	2.727	40	30		DFEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(N2CCOCC2)o1	ZINC000409009200	257224979	/nfs/dbraw/zinc/22/49/79/257224979.db2.gz	BZDAYUMRAQOKOT-WOJGMQOQSA-N	-1	0	314.341	2.873	40	30		DFEBRM
[O-]/N=C(Sc1ccccn1)/C(=N/O)Sc1ccccn1	ZINC000104232249	257232585	/nfs/dbraw/zinc/23/25/85/257232585.db2.gz	LWIGRSUVENCDQK-NFLUSIDLSA-N	-1	0	306.372	2.936	40	30		DFEBRM
O=C1C=C([O-])C(=CC=CC=Cc2c(O)cc(O)cc2O)C(=O)C1	ZINC000104047055	425957834	/nfs/dbraw/zinc/95/78/34/425957834.db2.gz	DVRDGJBDBGWKTN-AHRIBXHZSA-N	-1	0	314.293	2.766	40	30		DFEBRM
C=C(C)[C@H]1CCC2=Cc3c(cc(C)n(CC(=O)[O-])c3=O)O[C@H]2C1	ZINC000257221351	427312884	/nfs/dbraw/zinc/31/28/84/427312884.db2.gz	DORFHTYJEGHHKT-WFASDCNBSA-N	-1	0	315.369	2.762	40	30		DFEBRM
COc1ccc(/C=C/C(=O)c2ccccc2)cc1S(=O)(=O)[O-]	ZINC000005361305	181234613	/nfs/dbraw/zinc/23/46/13/181234613.db2.gz	WFSONVOFPNEDOA-VQHVLOKHSA-N	-1	0	318.350	2.838	40	30		DFEBRM
COC(=O)c1ccc(/N=C/c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000005527224	181253806	/nfs/dbraw/zinc/25/38/06/181253806.db2.gz	JHKBMTZKDKCPHG-VCHYOVAHSA-N	-1	0	313.309	2.931	40	30		DFEBRM
Cn1c2ccccc2nc1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000052412216	398839847	/nfs/dbraw/zinc/83/98/47/398839847.db2.gz	PWTCBSZSLMKTBV-CXUHLZMHSA-N	-1	0	311.301	2.633	40	30		DFEBRM
CC(=Cc1ccc(N(C)C(C)C)nc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193611261	201086059	/nfs/dbraw/zinc/08/60/59/201086059.db2.gz	SBRGUKALPWRMMN-XYOKQWHBSA-N	-1	0	323.400	2.750	40	30		DFEBRM
C#C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000219609768	201559350	/nfs/dbraw/zinc/55/93/50/201559350.db2.gz	YDYYJONIMPFXRE-QGZVFWFLSA-N	-1	0	321.332	2.612	40	30		DFEBRM
COc1cccc(C=NNc2ccccc2)c1O[C@H](C)C(=O)[O-]	ZINC000409239133	257220892	/nfs/dbraw/zinc/22/08/92/257220892.db2.gz	CAZQPYNMBXLZBF-MBNTZHJCSA-N	-1	0	314.341	2.993	40	30		DFEBRM
C=CCN1C(=O)S/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000409073667	257223262	/nfs/dbraw/zinc/22/32/62/257223262.db2.gz	RAGVHMREDDBMQY-YRNVUSSQSA-N	-1	0	306.299	2.523	40	30		DFEBRM
N#Cc1c(SCC(=O)[O-])nc2c(c1-c1cccnc1)CCC2	ZINC000002218310	425591480	/nfs/dbraw/zinc/59/14/80/425591480.db2.gz	QDYRCCIXQOHGKJ-UHFFFAOYSA-N	-1	0	311.366	2.681	40	30		DFEBRM
COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000007419192	425643941	/nfs/dbraw/zinc/64/39/41/425643941.db2.gz	OOJUNQXMLNQFQV-UHFFFAOYSA-N	-1	0	302.355	2.676	40	30		DFEBRM
CC(C)N1c2ccccc2C(=NNc2ccc(C(=O)[O-])cc2)C1=O	ZINC000007890728	425653900	/nfs/dbraw/zinc/65/39/00/425653900.db2.gz	SKPRHIYCODILRB-SILNSSARSA-N	-1	0	323.352	2.956	40	30		DFEBRM
CC1=NN(c2ccccc2)C(=O)/C1=C1\[N-]c2ccccc2C1=O	ZINC000100593595	426482609	/nfs/dbraw/zinc/48/26/09/426482609.db2.gz	GRECQWAWKXUHPP-NXVVXOECSA-N	-1	0	303.321	2.972	40	30		DFEBRM
CC(C)CCS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccco1	ZINC000079350758	519675862	/nfs/dbraw/zinc/67/58/62/519675862.db2.gz	YAULXUSAEUHXOL-UHFFFAOYSA-N	-1	0	312.347	2.615	40	30		DFEBRM
CCC(CC)CS(=O)(=O)[N-]C(=O)Cc1ccc(OC)cc1	ZINC000079037126	521535128	/nfs/dbraw/zinc/53/51/28/521535128.db2.gz	JXJNIBQZRRDUMK-UHFFFAOYSA-N	-1	0	313.419	2.960	40	30		DFEBRM
Cc1cc(=O)[n-]c(SCC(=O)c2ccc(F)cc2)c1C#N	ZINC000005401587	181239538	/nfs/dbraw/zinc/23/95/38/181239538.db2.gz	JAIIWPPZTGBSIB-UHFFFAOYSA-N	-1	0	302.330	2.669	40	30		DFEBRM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1	ZINC000195573237	201416004	/nfs/dbraw/zinc/41/60/04/201416004.db2.gz	YPJQSZKTPHJURJ-NSHDSACASA-N	-1	0	318.402	2.606	40	30		DFEBRM
N#Cc1cc([N+](=O)[O-])ccc1Sc1ncccc1C(=O)[O-]	ZINC000016386044	264023439	/nfs/dbraw/zinc/02/34/39/264023439.db2.gz	MCKQKPVIWMWIQX-UHFFFAOYSA-N	-1	0	301.283	2.711	40	30		DFEBRM
N#Cc1ccc(-c2ccc(I)cc2)[n-]c1=O	ZINC000016429394	264023572	/nfs/dbraw/zinc/02/35/72/264023572.db2.gz	DCPQKMROZGNMPE-UHFFFAOYSA-N	-1	0	322.105	2.518	40	30		DFEBRM
CC(C)(C)OC(=O)N1C[C@@H](c2cccc(C#N)c2)[C@H](C(=O)[O-])C1	ZINC000004241686	425618837	/nfs/dbraw/zinc/61/88/37/425618837.db2.gz	ZHFKFVXDOBTIEP-UONOGXRCSA-N	-1	0	316.357	2.593	40	30		DFEBRM
O=c1[n-]c(=S)[nH]nc1-c1ccccc1N=Cc1ccc(O)cc1	ZINC000005594920	425626050	/nfs/dbraw/zinc/62/60/50/425626050.db2.gz	MQFGUKHKQTUPPV-RQZCQDPDSA-N	-1	0	324.365	2.989	40	30		DFEBRM
CC/N=C1/S/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1CC	ZINC000103439044	425947774	/nfs/dbraw/zinc/94/77/74/425947774.db2.gz	HPBMOCKZRVMJFE-JDHQLRNLSA-N	-1	0	304.371	2.697	40	30		DFEBRM
O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000076261859	426105692	/nfs/dbraw/zinc/10/56/92/426105692.db2.gz	NNOLTLSUGKKKTN-RIYZIHGNSA-N	-1	0	302.246	2.655	40	30		DFEBRM
COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1/C2=N/[O-]	ZINC000103114060	295043524	/nfs/dbraw/zinc/04/35/24/295043524.db2.gz	OQBWOFIJTJSWDX-PFONDFGASA-N	-1	0	315.241	2.719	40	30		DFEBRM
Cc1cc(S[C@@H](C)C(=O)[O-])n2c3ccccc3nc2c1C#N	ZINC000006683327	301403358	/nfs/dbraw/zinc/40/33/58/301403358.db2.gz	CAUUPVQSWSYRID-JTQLQIEISA-O	-1	0	312.374	2.652	40	30		DFEBRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(C(C)C)s1	ZINC000079053044	185149720	/nfs/dbraw/zinc/14/97/20/185149720.db2.gz	WRDQJILXNFIJLS-UHFFFAOYSA-N	-1	0	322.415	2.642	40	30		DFEBRM
NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000006276590	181325494	/nfs/dbraw/zinc/32/54/94/181325494.db2.gz	PZBOHYPPJJWHJW-LZYBPNLTSA-N	-1	0	316.342	2.707	40	30		DFEBRM
CC(=O)C(C(=O)Nc1ccc(C)cc1)=C1SC(C(=O)[O-])S1	ZINC000062716060	257128855	/nfs/dbraw/zinc/12/88/55/257128855.db2.gz	CZJCUZHHTHRGRJ-UHFFFAOYSA-N	-1	0	323.395	2.625	40	30		DFEBRM
O=C([O-])C(C(=O)/C=C/c1ccccn1)=C1SCCCS1	ZINC000062716098	257128952	/nfs/dbraw/zinc/12/89/52/257128952.db2.gz	WAONTRJJKJBVTD-AATRIKPKSA-N	-1	0	307.396	2.830	40	30		DFEBRM
O=C([O-])c1cccc(/N=C/c2ccc(N3CCOCC3)o2)c1	ZINC000409011714	257224058	/nfs/dbraw/zinc/22/40/58/257224058.db2.gz	IENBKTDUIQOMPZ-GZTJUZNOSA-N	-1	0	300.314	2.565	40	30		DFEBRM
COc1cc(/C=N/c2cccnc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409015253	257224412	/nfs/dbraw/zinc/22/44/12/257224412.db2.gz	AZUMZWWSXFHZFC-KECVIQKOSA-N	-1	0	300.314	2.693	40	30		DFEBRM
C/C(=N\CCc1ccccn1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362618	257232230	/nfs/dbraw/zinc/23/22/30/257232230.db2.gz	OEORNQZRCZGPBD-DEDYPNTBSA-N	-1	0	321.380	2.691	40	30		DFEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCCO2	ZINC000007890719	425655163	/nfs/dbraw/zinc/65/51/63/425655163.db2.gz	NBWKRJVDSXJNSY-WOJGMQOQSA-N	-1	0	312.325	2.992	40	30		DFEBRM
C=CCOc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1	ZINC000012351550	425724127	/nfs/dbraw/zinc/72/41/27/425724127.db2.gz	LLEUDAJPBFQTRL-CQSZACIVSA-N	-1	0	321.373	2.772	40	30		DFEBRM
O=C([O-])C(=CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	ZINC000033337478	425842024	/nfs/dbraw/zinc/84/20/24/425842024.db2.gz	GWEQEBHRKPKIOK-GXDHUFHOSA-N	-1	0	312.281	2.858	40	30		DFEBRM
O=[N+]([O-])c1cc(/C=N\NC(=S)Nc2ccccc2)ccc1[O-]	ZINC000038163363	425850670	/nfs/dbraw/zinc/85/06/70/425850670.db2.gz	SNSHLQDBSPWTLH-DHDCSXOGSA-N	-1	0	316.342	2.621	40	30		DFEBRM
CCCCCCCCS(=O)(=O)NCCCCCC(=O)[O-]	ZINC000100922043	426483401	/nfs/dbraw/zinc/48/34/01/426483401.db2.gz	BDDNHEZSPITCOF-UHFFFAOYSA-N	-1	0	307.456	2.911	40	30		DFEBRM
CCCCCCCCCCNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225748838	426609896	/nfs/dbraw/zinc/60/98/96/426609896.db2.gz	GEFQZXHANGGTQE-JJXSEGSLSA-N	-1	0	323.433	2.898	40	30		DFEBRM
N#Cc1c(N)[n-]c(=O)c(C#N)c1-c1cccc(Br)c1	ZINC000012428637	303177152	/nfs/dbraw/zinc/17/71/52/303177152.db2.gz	ZICFKONHZHMJND-UHFFFAOYSA-N	-1	0	315.130	2.542	40	30		DFEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000036107824	304802839	/nfs/dbraw/zinc/80/28/39/304802839.db2.gz	RBLSIINLCLPCFS-ZSOIEALJSA-N	-1	0	302.246	2.655	40	30		DFEBRM
CCN(C)c1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cn1	ZINC000390833699	323342905	/nfs/dbraw/zinc/34/29/05/323342905.db2.gz	LRLXGVSEIMAVRU-QPJJXVBHSA-N	-1	0	308.341	2.673	40	30		DFEBRM
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)CC2CCCC2)s1	ZINC000083150921	526737136	/nfs/dbraw/zinc/73/71/36/526737136.db2.gz	STHMQJMVRHVAMB-UHFFFAOYSA-N	-1	0	302.421	2.985	40	30		DFEBRM
O=C([O-])COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000137859217	398876738	/nfs/dbraw/zinc/87/67/38/398876738.db2.gz	UQEVUGNREIMPKX-SXGWCWSVSA-N	-1	0	315.285	2.504	40	30		DFEBRM
C=CCOc1c(I)cc(F)cc1C(=O)[O-]	ZINC000225278064	201692042	/nfs/dbraw/zinc/69/20/42/201692042.db2.gz	OWWZRKVJSKZNKS-UHFFFAOYSA-N	-1	0	322.073	2.693	40	30		DFEBRM
C=CCc1cc(C=Nn2c(CC)n[n-]c2=S)cc(OC)c1O	ZINC000060799271	399143867	/nfs/dbraw/zinc/14/38/67/399143867.db2.gz	BJCDGMJLQTZRAH-CXUHLZMHSA-N	-1	0	318.402	2.828	40	30		DFEBRM
[O-]/N=C(Sc1ccccn1)/C(=N\O)Sc1ccccn1	ZINC000017140291	182077073	/nfs/dbraw/zinc/07/70/73/182077073.db2.gz	LWIGRSUVENCDQK-UKVBVZPVSA-N	-1	0	306.372	2.936	40	30		DFEBRM
COC(=O)c1ccccc1/N=C\C(Cl)=C(/Cl)C(=O)[O-]	ZINC000017060302	182074200	/nfs/dbraw/zinc/07/42/00/182074200.db2.gz	ODIYBWWTIRBXNY-UYLAUCBISA-N	-1	0	302.113	2.949	40	30		DFEBRM
COc1cc(OC)c(C(=O)/C=C/c2ccncc2)cc1C(=O)[O-]	ZINC000017107647	182075109	/nfs/dbraw/zinc/07/51/09/182075109.db2.gz	LNVCIUHRYWSXSO-ONEGZZNKSA-N	-1	0	313.309	2.693	40	30		DFEBRM
CCCCCCCCCSc1nc(N)n(CC(=O)[O-])n1	ZINC000103764380	256577426	/nfs/dbraw/zinc/57/74/26/256577426.db2.gz	GSKULNZBARGURX-UHFFFAOYSA-N	-1	0	300.428	2.788	40	30		DFEBRM
O=C([O-])COc1ccccc1/C=N/c1ccc([N+](=O)[O-])cc1	ZINC000409049768	257224293	/nfs/dbraw/zinc/22/42/93/257224293.db2.gz	YLULVCSXHZXECE-CXUHLZMHSA-N	-1	0	300.270	2.809	40	30		DFEBRM
O=C([O-])c1ccc(-c2ccc(/C=N\n3cnnc3)o2)cc1Cl	ZINC000000565895	425569968	/nfs/dbraw/zinc/56/99/68/425569968.db2.gz	SHLMHTDBSPTFHH-FXBPXSCXSA-N	-1	0	316.704	2.772	40	30		DFEBRM
CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1OCC(=O)[O-]	ZINC000001638353	425585263	/nfs/dbraw/zinc/58/52/63/425585263.db2.gz	CWCKYSOKAILEQL-UHFFFAOYSA-N	-1	0	300.310	2.777	40	30	in-vitro	DFEBRM
Cc1cc(C)n(-c2n[n-]c(=S)n2N=Cc2ccc(F)cc2)n1	ZINC000007757090	425650705	/nfs/dbraw/zinc/65/07/05/425650705.db2.gz	JDVIJJNUXNUZAS-LZYBPNLTSA-N	-1	0	316.365	2.765	40	30		DFEBRM
O=C1c2ccccc2C(=O)C([C@H](O)C(Cl)(Cl)Cl)=C1[O-]	ZINC000008619391	425673219	/nfs/dbraw/zinc/67/32/19/425673219.db2.gz	IMOLAKQAOWORIC-NSHDSACASA-N	-1	0	321.543	2.609	40	30		DFEBRM
CCCCCCCCCCNC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000097941833	426475874	/nfs/dbraw/zinc/47/58/74/426475874.db2.gz	GEFQZXHANGGTQE-UGUYLWEFSA-N	-1	0	323.433	2.898	40	30		DFEBRM
C=CCNc1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)[O-]	ZINC000256048494	398427062	/nfs/dbraw/zinc/42/70/62/398427062.db2.gz	UAJCNWPCLYMKOJ-UHFFFAOYSA-N	-1	0	312.251	2.582	40	30		DFEBRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1	ZINC000079014813	399007998	/nfs/dbraw/zinc/00/79/98/399007998.db2.gz	KHIOQHZYCFRNOP-UHFFFAOYSA-N	-1	0	319.386	2.543	40	30		DFEBRM
C#C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000218800313	201544305	/nfs/dbraw/zinc/54/43/05/201544305.db2.gz	YDYYJONIMPFXRE-KRWDZBQOSA-N	-1	0	321.332	2.612	40	30		DFEBRM
Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1O	ZINC000051376663	425883213	/nfs/dbraw/zinc/88/32/13/425883213.db2.gz	JJOFSOYFIWZFQU-SXGWCWSVSA-N	-1	0	312.354	2.901	40	30		DFEBRM
CCCCCCCCCCCC(=O)N1CC[C@@H](O)[C@H]1C(=O)[O-]	ZINC000100047417	256559543	/nfs/dbraw/zinc/55/95/43/256559543.db2.gz	ASHVYUAVTJHCGJ-ZBFHGGJFSA-N	-1	0	313.438	2.954	40	30		DFEBRM
O=S(=O)(Oc1cccc(/C=N\[O-])c1)c1ccc(Cl)cc1	ZINC000409066729	257223467	/nfs/dbraw/zinc/22/34/67/257223467.db2.gz	MDNWVLBGCHIJNQ-DHDCSXOGSA-N	-1	0	311.746	2.916	40	30		DFEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(N2CCOCC2)o1	ZINC000409020333	257224009	/nfs/dbraw/zinc/22/40/09/257224009.db2.gz	OBDIBNREMKEYNY-WQRHYEAKSA-N	-1	0	314.341	2.873	40	30		DFEBRM
CC/N=C1/S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1CC	ZINC000408932422	257225200	/nfs/dbraw/zinc/22/52/00/257225200.db2.gz	WXXGMMIFGJIFEQ-CCQVQAEASA-N	-1	0	321.358	2.613	40	30		DFEBRM
Cn1c2ccccc2s/c1=N\N=C\c1ccccc1C(=O)[O-]	ZINC000012648745	302903259	/nfs/dbraw/zinc/90/32/59/302903259.db2.gz	ILNDGJBAJFOIBE-IUMGADTDSA-N	-1	0	311.366	2.873	40	30		DFEBRM
O=[N+]([O-])c1ccc(NN=Cc2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000035191246	304802892	/nfs/dbraw/zinc/80/28/92/304802892.db2.gz	UMVNXCZRVFYWPS-RIYZIHGNSA-N	-1	0	302.246	2.655	40	30		DFEBRM
CCCC/C(CC)=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004523317	181119733	/nfs/dbraw/zinc/11/97/33/181119733.db2.gz	MYOUXXKNMPSOTD-KAMYIIQDSA-N	-1	0	313.379	2.829	40	30		DFEBRM
COc1cc(C2(C(=O)[N-]S(C)(=O)=O)CCCC2)ccc1C	ZINC000078715024	191916908	/nfs/dbraw/zinc/91/69/08/191916908.db2.gz	HFQWODYMYCGCIV-UHFFFAOYSA-N	-1	0	311.403	2.732	40	30		DFEBRM
COc1ccc(/C(=N/[O-])c2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000005526740	181253828	/nfs/dbraw/zinc/25/38/28/181253828.db2.gz	IMRHWLDIKPVALB-FOCLMDBBSA-N	-1	0	302.286	2.839	40	30		DFEBRM
Cc1ccc(-c2ccc(CN=Nc3nnn[n-]3)o2)cc1Cl	ZINC000005795390	181284948	/nfs/dbraw/zinc/28/49/48/181284948.db2.gz	VQWAKAQZYQSEBR-VIZOYTHASA-N	-1	0	302.725	2.868	40	30		DFEBRM
COc1ccc(/C=C2/Oc3cc(O)cc(O)c3C2=O)cc1OC	ZINC000148497937	398915114	/nfs/dbraw/zinc/91/51/14/398915114.db2.gz	BZIWUSANDYRNLN-GIDUJCDVSA-N	-1	0	314.293	2.731	40	30		DFEBRM
C#CCOc1ccccc1CCCCCC(=O)[N-]S(C)(=O)=O	ZINC000064858403	184304951	/nfs/dbraw/zinc/30/49/51/184304951.db2.gz	REUHFEYPDFRRGJ-UHFFFAOYSA-N	-1	0	323.414	2.718	40	30	in-vitro	DFEBRM
C=CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000409107925	257222804	/nfs/dbraw/zinc/22/28/04/257222804.db2.gz	YELIBRBIBXQFMU-YRNVUSSQSA-N	-1	0	306.299	2.523	40	30		DFEBRM
O=C([O-])COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1	ZINC000409063541	257223456	/nfs/dbraw/zinc/22/34/56/257223456.db2.gz	BYRFJGHVSCJVCF-SXGWCWSVSA-N	-1	0	300.270	2.809	40	30		DFEBRM
COc1cc(/C=N/c2cccnc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409015255	257224158	/nfs/dbraw/zinc/22/41/58/257224158.db2.gz	AZUMZWWSXFHZFC-PBFYJAPKSA-N	-1	0	300.314	2.693	40	30		DFEBRM
C=CCN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408963037	257225097	/nfs/dbraw/zinc/22/50/97/257225097.db2.gz	LTGSKFIRYSVHJE-XFFZJAGNSA-N	-1	0	306.299	2.523	40	30		DFEBRM
CC/N=C1/S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1CC	ZINC000408929989	257225231	/nfs/dbraw/zinc/22/52/31/257225231.db2.gz	QOFGLKAJGZQTGM-CCQVQAEASA-N	-1	0	321.358	2.613	40	30		DFEBRM
C/C(=N\c1ccccc1N)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362631	257232303	/nfs/dbraw/zinc/23/23/03/257232303.db2.gz	DFYYROPWCDTUHO-RGVLZGJSSA-N	-1	0	307.353	2.967	40	30		DFEBRM
CCOc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1O	ZINC000006537525	336396627	/nfs/dbraw/zinc/39/66/27/336396627.db2.gz	BIRXLOBZQIHBPV-LICLKQGHSA-N	-1	0	300.314	2.935	40	30		DFEBRM
CCC(CC)CS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000079037177	521535251	/nfs/dbraw/zinc/53/52/51/521535251.db2.gz	YVIQSLRABYCCJP-UHFFFAOYSA-N	-1	0	324.402	2.660	40	30		DFEBRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)CCc2cccc(F)c2)c1	ZINC000079306273	525708608	/nfs/dbraw/zinc/70/86/08/525708608.db2.gz	SBATUICRIZXIFE-UHFFFAOYSA-N	-1	0	322.361	2.807	40	30		DFEBRM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)cn1	ZINC000079306281	185164173	/nfs/dbraw/zinc/16/41/73/185164173.db2.gz	WMVPOLQFOROZNA-UHFFFAOYSA-N	-1	0	311.725	2.547	40	30		DFEBRM
C=CCNc1nn(-c2ccccc2C(F)(F)F)nc1C(=O)[O-]	ZINC000256045642	398426489	/nfs/dbraw/zinc/42/64/89/398426489.db2.gz	AGIJKODQBAPDDW-UHFFFAOYSA-N	-1	0	312.251	2.582	40	30		DFEBRM
O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1	ZINC000004754997	181148469	/nfs/dbraw/zinc/14/84/69/181148469.db2.gz	GLZSDIMNGWESIQ-YVLHZVERSA-N	-1	0	324.365	2.814	40	30		DFEBRM
C[C@@H](SC1=CC(=O)c2c(Cl)ccc(O)c2C1=O)C(=O)[O-]	ZINC000006442679	181341601	/nfs/dbraw/zinc/34/16/01/181341601.db2.gz	HFVPFHIMWZJVRA-RXMQYKEDSA-N	-1	0	312.730	2.515	40	30		DFEBRM
CCOc1cc(/C=N/[O-])ccc1OS(=O)(=O)c1ccccc1	ZINC000409071972	257223532	/nfs/dbraw/zinc/22/35/32/257223532.db2.gz	AAKSIYWKIJGBDU-LFIBNONCSA-N	-1	0	321.354	2.661	40	30		DFEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2)C1=O	ZINC000408526453	257230442	/nfs/dbraw/zinc/23/04/42/257230442.db2.gz	BAOKLMIPMVTNDF-CQSZACIVSA-N	-1	0	321.336	2.597	40	30		DFEBRM
[O-]/N=C(Sc1ccccn1)\C(=N/O)Sc1ccccn1	ZINC000104232244	257232612	/nfs/dbraw/zinc/23/26/12/257232612.db2.gz	LWIGRSUVENCDQK-JOBJLJCHSA-N	-1	0	306.372	2.936	40	30		DFEBRM
O=C1c2ccccc2C(=O)C([C@@H](O)C(Cl)(Cl)Cl)=C1[O-]	ZINC000008619393	425672590	/nfs/dbraw/zinc/67/25/90/425672590.db2.gz	IMOLAKQAOWORIC-LLVKDONJSA-N	-1	0	321.543	2.609	40	30		DFEBRM
Cn1c(=O)cc(/C=N/c2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000001700632	302893097	/nfs/dbraw/zinc/89/30/97/302893097.db2.gz	IBMFGLKOJVMGOQ-YBFXNURJSA-N	-1	0	306.321	2.987	40	30		DFEBRM
C#Cc1ccc([C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000242390231	398379466	/nfs/dbraw/zinc/37/94/66/398379466.db2.gz	AFUVOYNXOJPAPC-GUYCJALGSA-N	-1	0	301.342	2.503	40	30		DFEBRM
Cc1ccc(NC(=O)[C@]23C[C@H]2/C(=N\[O-])c2ccccc2O3)cc1	ZINC000066259496	542458303	/nfs/dbraw/zinc/45/83/03/542458303.db2.gz	VKCTUZKPBYSTDW-GJZUERPMSA-N	-1	0	308.337	2.963	40	30	in-vitro	DFEBRM
O=[N+]([O-])c1cccc(/C=N\NC(=S)Nc2ccccc2)c1[O-]	ZINC000409068449	257223564	/nfs/dbraw/zinc/22/35/64/257223564.db2.gz	SRFKQYCVVFRNLH-DHDCSXOGSA-N	-1	0	316.342	2.621	40	30		DFEBRM
C=CCOc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000222785571	542884148	/nfs/dbraw/zinc/88/41/48/542884148.db2.gz	RGVLVAIFFXQUOK-UHFFFAOYSA-N	-1	0	308.359	2.657	40	30		DFEBRM
Cc1c(C#N)c(=O)n(C)c([O-])c1/C=C1\Sc2ccccc2C1=O	ZINC000016249313	425786279	/nfs/dbraw/zinc/78/62/79/425786279.db2.gz	PXXLHJOPALLCGL-AUWJEWJLSA-N	-1	0	324.361	2.601	40	30		DFEBRM
CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(C(=O)[O-])c(O)c2)o1	ZINC000013494440	425755056	/nfs/dbraw/zinc/75/50/56/425755056.db2.gz	HIBNAPUXIOSFGH-GHXNOFRVSA-N	-1	0	313.265	2.667	40	30		DFEBRM
C=CCN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000033650650	425842251	/nfs/dbraw/zinc/84/22/51/425842251.db2.gz	QHWYZTATEHVTHK-YRNVUSSQSA-N	-1	0	322.367	2.688	40	30		DFEBRM
COc1cc2c(cc1OCc1ccccc1)[n-]cc(C#N)c2=O	ZINC000095937891	426375258	/nfs/dbraw/zinc/37/52/58/426375258.db2.gz	WRAPTBOWJHVKIF-UHFFFAOYSA-N	-1	0	306.321	2.987	40	30		DFEBRM
CCN(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(Cl)s1	ZINC000078984810	185140412	/nfs/dbraw/zinc/14/04/12/185140412.db2.gz	AYNOIRWBRBMYEO-UHFFFAOYSA-N	-1	0	324.855	2.877	40	30		DFEBRM
CCOc1cccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1	ZINC000031638520	182618206	/nfs/dbraw/zinc/61/82/06/182618206.db2.gz	SUVUBDCISWQYPB-WJDWOHSUSA-N	-1	0	320.370	2.778	40	30		DFEBRM
CC/N=C1/S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C(=O)N1CC	ZINC000408932355	257225434	/nfs/dbraw/zinc/22/54/34/257225434.db2.gz	WBMZPPRHKZRBFQ-IIXCLMFLSA-N	-1	0	321.358	2.613	40	30		DFEBRM
COc1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cn1	ZINC000408842737	257226408	/nfs/dbraw/zinc/22/64/08/257226408.db2.gz	AXHMLIDFUPWVMX-PKSBALPTSA-N	-1	0	300.314	2.693	40	30		DFEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)c1	ZINC000408526500	257230360	/nfs/dbraw/zinc/23/03/60/257230360.db2.gz	CMAYOCPDZZVYQT-HNNXBMFYSA-N	-1	0	321.336	2.597	40	30		DFEBRM
O=C1CSC(=S)N1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000001711091	425585514	/nfs/dbraw/zinc/58/55/14/425585514.db2.gz	OQQGCUKLWVHEBC-QLKAYGNNSA-N	-1	0	321.210	2.893	40	30		DFEBRM
CCc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cc1)C(=O)N2	ZINC000008445904	425669327	/nfs/dbraw/zinc/66/93/27/425669327.db2.gz	ABCYMSQNGFCVHO-UHFFFAOYSA-N	-1	0	309.325	2.716	40	30		DFEBRM
CC(C)(C)OC(=O)N1C[C@@H](c2ccc(C#N)cc2)[C@H](C(=O)[O-])C1	ZINC000004241691	425618960	/nfs/dbraw/zinc/61/89/60/425618960.db2.gz	FXCGBFMJOLRFEI-UONOGXRCSA-N	-1	0	316.357	2.593	40	30		DFEBRM
COc1ccc(/C=C\C(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000006172442	425624965	/nfs/dbraw/zinc/62/49/65/425624965.db2.gz	GDVXNIUZGNCPOX-XQRVVYSFSA-N	-1	0	316.309	2.567	40	30		DFEBRM
C/C(=N\[O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000104248660	425962022	/nfs/dbraw/zinc/96/20/22/425962022.db2.gz	MRCWNYYSRXPLTO-XNTDXEJSSA-N	-1	0	320.326	2.626	40	30		DFEBRM
Cc1ccc(C(=O)C=CN[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000016291703	190641411	/nfs/dbraw/zinc/64/14/11/190641411.db2.gz	MTXHITDXSOUXMD-CPFIRTDXSA-N	-1	0	309.365	2.977	40	30		DFEBRM
COC(=O)c1ccccc1/N=C\C(Cl)=C(\Cl)C(=O)[O-]	ZINC000005410723	181239831	/nfs/dbraw/zinc/23/98/31/181239831.db2.gz	ODIYBWWTIRBXNY-UKFQCQMBSA-N	-1	0	302.113	2.949	40	30		DFEBRM
COc1cccc(C=Nn2c(=S)[n-]nc2C(C)C)c1OC	ZINC000005841866	181288218	/nfs/dbraw/zinc/28/82/18/181288218.db2.gz	GOAXMBRVWOBJGF-OVCLIPMQSA-N	-1	0	306.391	2.963	40	30		DFEBRM
COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2C(C)C)cc1	ZINC000006240270	181322135	/nfs/dbraw/zinc/32/21/35/181322135.db2.gz	IQAJJWAQPZOKLQ-OVCLIPMQSA-N	-1	0	304.375	2.733	40	30		DFEBRM
CCCS(=O)(=O)[N-]C(=O)Cc1csc(C(C)(C)C)n1	ZINC000078868921	398993071	/nfs/dbraw/zinc/99/30/71/398993071.db2.gz	ZSBOTOCCPPMOEG-UHFFFAOYSA-N	-1	0	304.437	2.679	40	30		DFEBRM
COc1ccccc1[C@H](C#N)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000195563610	399186326	/nfs/dbraw/zinc/18/63/26/399186326.db2.gz	YYHMISNEMZUEPN-ZDUSSCGKSA-N	-1	0	318.279	2.674	40	30		DFEBRM
O=C1CSC(=S)N1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000016922702	182064328	/nfs/dbraw/zinc/06/43/28/182064328.db2.gz	OQQGCUKLWVHEBC-DXNYSGJVSA-N	-1	0	321.210	2.893	40	30		DFEBRM
COc1cccc(C=NNc2ccccc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409239130	257220890	/nfs/dbraw/zinc/22/08/90/257220890.db2.gz	CAZQPYNMBXLZBF-HWQJWEFDSA-N	-1	0	314.341	2.993	40	30		DFEBRM
O=C([O-])c1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1	ZINC000409088926	257223581	/nfs/dbraw/zinc/22/35/81/257223581.db2.gz	MIHLOASVLUROQY-CPNJWEJPSA-N	-1	0	310.353	2.972	40	30		DFEBRM
COc1cccc(/C=N/[O-])c1OCc1ccc([N+](=O)[O-])cc1	ZINC000103851689	425955143	/nfs/dbraw/zinc/95/51/43/425955143.db2.gz	NSEWWGAOFBQFFX-CXUHLZMHSA-N	-1	0	302.286	2.991	40	30		DFEBRM
O=C([O-])CC1=C(c2ccccc2)[C@](O)(c2ccccc2)CC1=O	ZINC000005542505	304044002	/nfs/dbraw/zinc/04/40/02/304044002.db2.gz	CVXVASZAXUJKJP-LJQANCHMSA-N	-1	0	308.333	2.776	40	30		DFEBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N\n3cnnc3)o2)c1	ZINC000014137800	181928639	/nfs/dbraw/zinc/92/86/39/181928639.db2.gz	NDKXYEWYHPKRNR-FXBPXSCXSA-N	-1	0	316.704	2.772	40	30		DFEBRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1	ZINC000084185467	542506867	/nfs/dbraw/zinc/50/68/67/542506867.db2.gz	GVCMWNWBLVRGMO-UHFFFAOYSA-N	-1	0	322.386	2.656	40	30		DFEBRM
O=C(N=C([O-])Nc1cc(F)ccc1F)C(F)(F)C(F)(F)F	ZINC000001866117	425586658	/nfs/dbraw/zinc/58/66/58/425586658.db2.gz	SVCHDGILWOYKJS-UHFFFAOYSA-N	-1	0	318.148	2.811	40	30		DFEBRM
COc1cc(/C=N\[O-])ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000012729766	425735778	/nfs/dbraw/zinc/73/57/78/425735778.db2.gz	DSURLSDBSHMHDJ-YBEGLDIGSA-N	-1	0	321.354	2.579	40	30		DFEBRM
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2C(=O)[O-]	ZINC000020568354	425792415	/nfs/dbraw/zinc/79/24/15/425792415.db2.gz	XZVXEFPJOAAOGQ-UHFFFAOYSA-N	-1	0	317.385	2.577	40	30		DFEBRM
CCCC(=O)C(CC)=C([O-])C(=O)Nc1nc([N+](=O)[O-])cs1	ZINC000031817888	425837000	/nfs/dbraw/zinc/83/70/00/425837000.db2.gz	XBZWYXJQOCVSRE-ZETCQYMHSA-N	-1	0	313.335	2.604	40	30		DFEBRM
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C=Cc2ccco2)s1	ZINC000083150919	526737323	/nfs/dbraw/zinc/73/73/23/526737323.db2.gz	SMYLWNOZVRMMNB-AATRIKPKSA-N	-1	0	312.372	2.712	40	30		DFEBRM
N#Cc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1	ZINC000004557838	181124686	/nfs/dbraw/zinc/12/46/86/181124686.db2.gz	GWARUCNRVQKFCI-VXLYETTFSA-N	-1	0	313.324	2.824	40	30		DFEBRM
O=C([O-])c1ccc(Cl)cc1-c1ccc(/C=N/n2cnnc2)o1	ZINC000006220161	181320174	/nfs/dbraw/zinc/32/01/74/181320174.db2.gz	IGGOXPUMOGYCOY-NGYBGAFCSA-N	-1	0	316.704	2.772	40	30		DFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C1=O	ZINC000006262675	181324522	/nfs/dbraw/zinc/32/45/22/181324522.db2.gz	YSUDFRURILLBOP-KAMYIIQDSA-N	-1	0	312.369	2.632	40	30		DFEBRM
CC(=O)Nc1ccc(F)c(C([O-])=C(C#N)c2ccc(F)cn2)c1	ZINC000078984861	399005526	/nfs/dbraw/zinc/00/55/26/399005526.db2.gz	IQOXNPGEQNQHTQ-ZDUSSCGKSA-N	-1	0	315.279	2.808	40	30		DFEBRM
C#CCOc1c(Br)cc(/C=C/C(=O)[O-])cc1OC	ZINC000035160096	256532397	/nfs/dbraw/zinc/53/23/97/256532397.db2.gz	KKLMWAAISTWMIF-SNAWJCMRSA-N	-1	0	311.131	2.568	40	30		DFEBRM
NC(=O)Cn1cc(/C=N/c2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000409384394	257220005	/nfs/dbraw/zinc/22/00/05/257220005.db2.gz	ATNAJRAGDHJZJC-AWQFTUOYSA-N	-1	0	321.336	2.575	40	30		DFEBRM
COc1cc2c(cc1/C=N/c1ccc(O)c(C(=O)[O-])c1)OCO2	ZINC000409108565	257223128	/nfs/dbraw/zinc/22/31/28/257223128.db2.gz	VGKDHUOPRUZNPD-REZTVBANSA-N	-1	0	315.281	2.578	40	30		DFEBRM
O=S(=O)(Oc1ccc(Cl)cc1/C=N/[O-])c1ccccc1	ZINC000409065502	257223667	/nfs/dbraw/zinc/22/36/67/257223667.db2.gz	IXFZRMZQBLTCMM-OQLLNIDSSA-N	-1	0	311.746	2.916	40	30		DFEBRM
CCn1c(=O)c(/C=N/c2nnc(C)s2)c([O-])c2ccccc21	ZINC000100192914	426481385	/nfs/dbraw/zinc/48/13/85/426481385.db2.gz	ZAFHCBDLUNUQNR-LZYBPNLTSA-N	-1	0	314.370	2.638	40	30		DFEBRM
C=CCOc1c(C)cc(I)cc1C(=O)[O-]	ZINC000225279185	426597718	/nfs/dbraw/zinc/59/77/18/426597718.db2.gz	ABYIYUJZIQNHRC-UHFFFAOYSA-N	-1	0	318.110	2.863	40	30		DFEBRM
Cc1ccc(NC(=O)[C@@]23C[C@@H]2/C(=N\[O-])c2ccccc2O3)cc1	ZINC000066259495	301642857	/nfs/dbraw/zinc/64/28/57/301642857.db2.gz	VKCTUZKPBYSTDW-CMQPTGAZSA-N	-1	0	308.337	2.963	40	30	in-vitro	DFEBRM
C=C(Cl)CN1C(=O)CCc2cc(OCCC(=O)[O-])ccc21	ZINC000218787014	333332998	/nfs/dbraw/zinc/33/29/98/333332998.db2.gz	RHFXYTHAIBCFBH-UHFFFAOYSA-N	-1	0	309.749	2.572	40	30		DFEBRM
C#Cc1ccc([C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000242390232	398379445	/nfs/dbraw/zinc/37/94/45/398379445.db2.gz	AFUVOYNXOJPAPC-SUMWQHHRSA-N	-1	0	301.342	2.503	40	30		DFEBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccccc1	ZINC000004966263	181180619	/nfs/dbraw/zinc/18/06/19/181180619.db2.gz	QUGZLHGYJPKPKA-UHFFFAOYSA-N	-1	0	320.326	2.597	40	30		DFEBRM
COc1cc(OC)c(C(=O)/C=C\c2ccncc2)cc1C(=O)[O-]	ZINC000005389924	181238097	/nfs/dbraw/zinc/23/80/97/181238097.db2.gz	LNVCIUHRYWSXSO-ARJAWSKDSA-N	-1	0	313.309	2.693	40	30		DFEBRM
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c(C)c1C	ZINC000006295132	181327126	/nfs/dbraw/zinc/32/71/26/181327126.db2.gz	MMFBGUWNLUBNGX-UHFFFAOYSA-N	-1	0	318.402	2.624	40	30		DFEBRM
COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408904498	257226012	/nfs/dbraw/zinc/22/60/12/257226012.db2.gz	KJYARTICJUPZAT-NVNXTCNLSA-N	-1	0	317.257	2.968	40	30		DFEBRM
CC/N=C1/S[C@H](CC(=O)[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000008236288	425664883	/nfs/dbraw/zinc/66/48/83/425664883.db2.gz	YNZCXRNZEXCJEH-NIZNLAEJSA-N	-1	0	312.778	2.639	40	30		DFEBRM
Cc1cc(S[C@H](C)C(=O)[O-])n2c3ccccc3nc2c1C#N	ZINC000006683328	301403166	/nfs/dbraw/zinc/40/31/66/301403166.db2.gz	CAUUPVQSWSYRID-SNVBAGLBSA-O	-1	0	312.374	2.652	40	30		DFEBRM
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)CCc2ccco2)s1	ZINC000083150707	526737694	/nfs/dbraw/zinc/73/76/94/526737694.db2.gz	ODNHSKCPPKDCRF-UHFFFAOYSA-N	-1	0	314.388	2.631	40	30		DFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2cccs2)s1	ZINC000225661188	186287582	/nfs/dbraw/zinc/28/75/82/186287582.db2.gz	NAGYVLVQMAOQBM-UHFFFAOYSA-N	-1	0	319.458	2.679	40	30		DFEBRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1Cl	ZINC000080923602	192201379	/nfs/dbraw/zinc/20/13/79/192201379.db2.gz	RNZOEBRMRDHUGW-UHFFFAOYSA-N	-1	0	308.746	2.718	40	30		DFEBRM
C/C(=N\Cc1ccncc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362635	257232247	/nfs/dbraw/zinc/23/22/47/257232247.db2.gz	MHAAQUJKUUNJOY-UDWIEESQSA-N	-1	0	307.353	2.648	40	30		DFEBRM
COC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000005248406	292006525	/nfs/dbraw/zinc/00/65/25/292006525.db2.gz	QCFSMXATTZGSCP-CXUHLZMHSA-N	-1	0	300.270	2.838	40	30		DFEBRM
COc1ccc(O)c(C(C)=NNc2cccc(C(=O)[O-])c2)c1	ZINC000013351541	425753835	/nfs/dbraw/zinc/75/38/35/425753835.db2.gz	VFYWWEKMKOCFEZ-LICLKQGHSA-N	-1	0	300.314	2.935	40	30		DFEBRM
C=CCn1c(SCCC(=O)[O-])nc2sc(C)c(C)c2c1=O	ZINC000096305867	426413129	/nfs/dbraw/zinc/41/31/29/426413129.db2.gz	VLVRBGRLJDYEHE-UHFFFAOYSA-N	-1	0	324.427	2.828	40	30		DFEBRM
CN(C)C(=O)c1ccc(NC=CC(=O)c2ccccc2[O-])cc1	ZINC000101635275	426485715	/nfs/dbraw/zinc/48/57/15/426485715.db2.gz	WLOLNETVSFBZCH-VAWYXSNFSA-N	-1	0	310.353	2.903	40	30		DFEBRM
O=C([O-])C(CC(=O)c1ccccc1)=Nc1ccc([N+](=O)[O-])cc1	ZINC000004535099	181120751	/nfs/dbraw/zinc/12/07/51/181120751.db2.gz	SIUJGWJCPDBKIC-UVTDQMKNSA-N	-1	0	312.281	2.858	40	30		DFEBRM
C[C@H](SC1=CC(=O)c2c(Cl)ccc(O)c2C1=O)C(=O)[O-]	ZINC000001617042	425583728	/nfs/dbraw/zinc/58/37/28/425583728.db2.gz	HFVPFHIMWZJVRA-YFKPBYRVSA-N	-1	0	312.730	2.515	40	30		DFEBRM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001727726	425587643	/nfs/dbraw/zinc/58/76/43/425587643.db2.gz	UIVBALBJIQFSFO-UHFFFAOYSA-N	-1	0	305.355	2.697	40	30		DFEBRM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000222982164	426587120	/nfs/dbraw/zinc/58/71/20/426587120.db2.gz	OSFVAAHFPFJXQH-UHFFFAOYSA-N	-1	0	316.382	2.871	40	30		DFEBRM
C#CC(CC)(CC)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000225787597	277669194	/nfs/dbraw/zinc/66/91/94/277669194.db2.gz	ZICYFJFBRYHUNY-CLWVCHIJSA-N	-1	0	317.429	2.988	40	30		DFEBRM
N#Cc1ccnc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000195578598	323285151	/nfs/dbraw/zinc/28/51/51/323285151.db2.gz	RDKCIKGFGHLNNS-UHFFFAOYSA-N	-1	0	309.350	2.907	40	30		DFEBRM
CCCN1CC[C@@]2(C/C(=N\[O-])c3ccccc3O2)CCC1=O	ZINC000013570043	283351575	/nfs/dbraw/zinc/35/15/75/283351575.db2.gz	QLFSOCIPTJLUGW-SOGDLCAJSA-N	-1	0	302.374	2.809	40	30		DFEBRM
Oc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1O	ZINC000020932508	182255434	/nfs/dbraw/zinc/25/54/34/182255434.db2.gz	SBZYLNPUKABZAP-CXUHLZMHSA-N	-1	0	312.354	2.901	40	30		DFEBRM
COC(=O)c1ccccc1/N=C/C(Cl)=C(\Cl)C(=O)[O-]	ZINC000001556450	425583392	/nfs/dbraw/zinc/58/33/92/425583392.db2.gz	ODIYBWWTIRBXNY-VJAZQTGESA-N	-1	0	302.113	2.949	40	30		DFEBRM
O=C([O-])c1ccc2nc(CC(=O)c3cccs3)c(=O)[nH]c2c1	ZINC000006745202	425629176	/nfs/dbraw/zinc/62/91/76/425629176.db2.gz	IGOGFKVVYFXWOJ-XFFZJAGNSA-N	-1	0	314.322	2.577	40	30		DFEBRM
CCCCCCCCCCNC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000097941832	426475878	/nfs/dbraw/zinc/47/58/78/426475878.db2.gz	GEFQZXHANGGTQE-QXSJWSMHSA-N	-1	0	323.433	2.898	40	30		DFEBRM
O=C([N-]S(=O)(=O)CCc1ccccc1)c1ccccc1F	ZINC000079330624	527178320	/nfs/dbraw/zinc/17/83/20/527178320.db2.gz	FMKIQVHJFGLNQS-UHFFFAOYSA-N	-1	0	307.346	2.703	40	30		DFEBRM
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-]	ZINC000008109766	398369729	/nfs/dbraw/zinc/36/97/29/398369729.db2.gz	QIDMABYBLWWVFL-OVCLIPMQSA-N	-1	0	317.257	2.968	40	30		DFEBRM
C#Cc1ccc([C@H]2C[C@]2(NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000242390229	398379463	/nfs/dbraw/zinc/37/94/63/398379463.db2.gz	AFUVOYNXOJPAPC-CXAGYDPISA-N	-1	0	301.342	2.503	40	30		DFEBRM
CCCC(=O)C(CC)=C([O-])C(=O)Nc1nc([N+](=O)[O-])cs1	ZINC000031817884	282597665	/nfs/dbraw/zinc/59/76/65/282597665.db2.gz	XBZWYXJQOCVSRE-SSDOTTSWSA-N	-1	0	313.335	2.604	40	30		DFEBRM
CCCN1CC[C@]2(C/C(=N\[O-])c3ccccc3O2)CCC1=O	ZINC000013570041	283353409	/nfs/dbraw/zinc/35/34/09/283353409.db2.gz	QLFSOCIPTJLUGW-AATZCTEQSA-N	-1	0	302.374	2.809	40	30		DFEBRM
C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408962387	257225404	/nfs/dbraw/zinc/22/54/04/257225404.db2.gz	HZBCEFFVEQNVKU-HLPMDPMVSA-N	-1	0	320.326	2.911	40	30		DFEBRM
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(OC)c1	ZINC000007890446	425655271	/nfs/dbraw/zinc/65/52/71/425655271.db2.gz	ZMESHUHSVJDNKX-LICLKQGHSA-N	-1	0	300.314	2.848	40	30		DFEBRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000074934638	191389651	/nfs/dbraw/zinc/38/96/51/191389651.db2.gz	IEUZQILZXYNHCC-UHFFFAOYSA-N	-1	0	306.318	2.507	40	30		DFEBRM
CC(=O)Nc1ccc(F)c(C([O-])=C(C#N)c2ccc(F)cn2)c1	ZINC000078984867	399005365	/nfs/dbraw/zinc/00/53/65/399005365.db2.gz	IQOXNPGEQNQHTQ-CYBMUJFWSA-N	-1	0	315.279	2.808	40	30		DFEBRM
COC(=O)c1ccccc1/N=C/C(Cl)=C(/Cl)C(=O)[O-]	ZINC000017060303	182074335	/nfs/dbraw/zinc/07/43/35/182074335.db2.gz	ODIYBWWTIRBXNY-HEWNGECSSA-N	-1	0	302.113	2.949	40	30		DFEBRM
C=CCN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000020130270	182189717	/nfs/dbraw/zinc/18/97/17/182189717.db2.gz	GKGZWOWRYAFHDQ-UHFFFAOYSA-N	-1	0	317.366	2.766	40	30		DFEBRM
Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(O)c1	ZINC000051376734	425883255	/nfs/dbraw/zinc/88/32/55/425883255.db2.gz	MVSQTHLGAZOAJC-SXGWCWSVSA-N	-1	0	312.354	2.901	40	30		DFEBRM
CC(=O)c1sc([N-]S(=O)(=O)c2ccccc2)c(C#N)c1C	ZINC000409060884	257223743	/nfs/dbraw/zinc/22/37/43/257223743.db2.gz	WWWKWFBKHDGUAF-UHFFFAOYSA-N	-1	0	320.395	2.932	40	30		DFEBRM
C/C(=N\c1ccc(N)cc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362623	257232273	/nfs/dbraw/zinc/23/22/73/257232273.db2.gz	KYABYTQPAQDVAC-RGVLZGJSSA-N	-1	0	307.353	2.967	40	30		DFEBRM
Cn1c(=O)cc(/C=N\c2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000104084374	425959094	/nfs/dbraw/zinc/95/90/94/425959094.db2.gz	IBMFGLKOJVMGOQ-ODLFYWEKSA-N	-1	0	306.321	2.987	40	30		DFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccccc2)s1	ZINC000224039207	426592245	/nfs/dbraw/zinc/59/22/45/426592245.db2.gz	VPZHTLWNIAVXGF-UHFFFAOYSA-N	-1	0	313.429	2.617	40	30		DFEBRM
C/C(=N/[O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000016943188	277731608	/nfs/dbraw/zinc/73/16/08/277731608.db2.gz	MRCWNYYSRXPLTO-GDNBJRDFSA-N	-1	0	320.326	2.626	40	30		DFEBRM
C#Cc1ccc([C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000242390230	398379413	/nfs/dbraw/zinc/37/94/13/398379413.db2.gz	AFUVOYNXOJPAPC-DYVFJYSZSA-N	-1	0	301.342	2.503	40	30		DFEBRM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)c1ccc(F)cc1	ZINC000016478678	182046323	/nfs/dbraw/zinc/04/63/23/182046323.db2.gz	YMQPPHFURZMQQE-BLIJAFNYSA-N	-1	0	313.328	2.808	40	30		DFEBRM
O=S(=O)(Oc1ccc(/C=N/[O-])cc1)c1ccc(Cl)cc1	ZINC000409070465	257223704	/nfs/dbraw/zinc/22/37/04/257223704.db2.gz	YBACFLFQMZTGJJ-OQLLNIDSSA-N	-1	0	311.746	2.916	40	30		DFEBRM
O=C([O-])CCCN1c2ccccc2C#Cc2ccccc2C1=O	ZINC000642881979	543504613	/nfs/dbraw/zinc/50/46/13/543504613.db2.gz	OEUXERWGISBANK-UHFFFAOYSA-N	-1	0	305.333	2.911	40	30		DFEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-]	ZINC000100844987	426483014	/nfs/dbraw/zinc/48/30/14/426483014.db2.gz	QRMNCEZIEKLMPK-OBGWFSINSA-N	-1	0	323.312	2.785	40	30		DFEBRM
O=C([O-])c1ccc(NC=C2C(=O)ON=C2c2ccccc2)cc1	ZINC000100814783	426483187	/nfs/dbraw/zinc/48/31/87/426483187.db2.gz	FHMPPTDVQILERR-UVTDQMKNSA-N	-1	0	308.293	2.642	40	30		DFEBRM
C/C(=N\Cc1ccccn1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101156858	426483927	/nfs/dbraw/zinc/48/39/27/426483927.db2.gz	AEZXWQYBHQEPLR-UDWIEESQSA-N	-1	0	307.353	2.648	40	30		DFEBRM
CC(C)N1c2ccccc2C(=NNc2cccc(C(=O)[O-])c2)C1=O	ZINC000013337356	279557651	/nfs/dbraw/zinc/55/76/51/279557651.db2.gz	ITBDCNCMXHPARH-SILNSSARSA-N	-1	0	323.352	2.956	40	30		DFEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cscn2)s1	ZINC000079101907	525483726	/nfs/dbraw/zinc/48/37/26/525483726.db2.gz	LLSLXGSZTFURMO-UHFFFAOYSA-N	-1	0	316.429	2.791	40	30		DFEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005717814	398352218	/nfs/dbraw/zinc/35/22/18/398352218.db2.gz	FZEIVAWJDQKACZ-AWNIVKPZSA-N	-1	0	311.754	2.947	40	30		DFEBRM
COc1ccccc1[C@@H](C#N)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000195563607	399186311	/nfs/dbraw/zinc/18/63/11/399186311.db2.gz	YYHMISNEMZUEPN-CYBMUJFWSA-N	-1	0	318.279	2.674	40	30		DFEBRM
C=CCOc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1	ZINC000057124091	184027202	/nfs/dbraw/zinc/02/72/02/184027202.db2.gz	JHCCTSPVMGLHQS-UHFFFAOYSA-N	-1	0	308.359	2.657	40	30		DFEBRM
CCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-]	ZINC000100921986	256566700	/nfs/dbraw/zinc/56/67/00/256566700.db2.gz	PLSDUNNAMBEXNC-UHFFFAOYSA-N	-1	0	307.456	2.911	40	30		DFEBRM
O=C1CSC(=S)N1/N=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409329217	257220023	/nfs/dbraw/zinc/22/00/23/257220023.db2.gz	CHPFXPAFAVWVCN-QLKAYGNNSA-N	-1	0	321.210	2.893	40	30		DFEBRM
COc1ccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cn1	ZINC000408854805	257226164	/nfs/dbraw/zinc/22/61/64/257226164.db2.gz	BQAOGURJHMNPLU-IDUWFGFVSA-N	-1	0	320.732	2.958	40	30		DFEBRM
CN(/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc([N+](=O)[O-])cc1	ZINC000408894463	257226330	/nfs/dbraw/zinc/22/63/30/257226330.db2.gz	QOHQVYNIVJBYLQ-OQLLNIDSSA-N	-1	0	316.273	2.679	40	30		DFEBRM
Cc1ccc(C(=O)C=CN[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000016291705	425785728	/nfs/dbraw/zinc/78/57/28/425785728.db2.gz	MTXHITDXSOUXMD-WFTPILKQSA-N	-1	0	309.365	2.977	40	30		DFEBRM
C=CCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000343044897	341840095	/nfs/dbraw/zinc/84/00/95/341840095.db2.gz	ZJEATBVYESJDOL-YVMONPNESA-N	-1	0	315.285	2.531	40	30		DFEBRM
CC(C(=O)c1ccc(F)cc1)=[N+]([O-])C/C(=N/[O-])c1ccccc1	ZINC000013816059	518474322	/nfs/dbraw/zinc/47/43/22/518474322.db2.gz	WTXDLQPAZMRHLT-PMRJYCJYSA-N	-1	0	314.316	2.858	40	30		DFEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1[O-]	ZINC000035188657	525557184	/nfs/dbraw/zinc/55/71/84/525557184.db2.gz	HOEJKBKJGVCTRJ-FRKPEAEDSA-N	-1	0	312.285	2.529	40	30		DFEBRM
N#CCCn1nc(SCc2ccccc2)c(=S)[n-]c1=O	ZINC000006575174	181356393	/nfs/dbraw/zinc/35/63/93/181356393.db2.gz	DNQASDJHVZHCPY-UHFFFAOYSA-N	-1	0	304.400	2.507	40	30		DFEBRM
COC(=O)c1cccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408965713	257225247	/nfs/dbraw/zinc/22/52/47/257225247.db2.gz	XIAVIAUHJJHFFL-SXGWCWSVSA-N	-1	0	300.270	2.838	40	30		DFEBRM
CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2C#N)[C@H](C(=O)[O-])C1	ZINC000004241682	425619761	/nfs/dbraw/zinc/61/97/61/425619761.db2.gz	BHWWHVJMCKAYGA-UONOGXRCSA-N	-1	0	316.357	2.593	40	30		DFEBRM
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)s1	ZINC000083150761	526736984	/nfs/dbraw/zinc/73/69/84/526736984.db2.gz	VQXQKHCINOGADW-JTQLQIEISA-N	-1	0	300.405	2.761	40	30		DFEBRM
COc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000137777063	398876810	/nfs/dbraw/zinc/87/68/10/398876810.db2.gz	NHFONEIHPABHRY-ZDLGFXPLSA-N	-1	0	314.341	2.829	40	30		DFEBRM
NC(=S)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000016384144	182042729	/nfs/dbraw/zinc/04/27/29/182042729.db2.gz	KYQOYZJYCQGYTC-LZYBPNLTSA-N	-1	0	316.342	2.707	40	30		DFEBRM
CCOC(=O)CSc1[n-]c(=O)c(-c2cccs2)cc1C#N	ZINC000016682867	182057249	/nfs/dbraw/zinc/05/72/49/182057249.db2.gz	JCZZNJJMDMQHJW-UHFFFAOYSA-N	-1	0	320.395	2.630	40	30		DFEBRM
CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cccc2)nc1	ZINC000084694846	542513848	/nfs/dbraw/zinc/51/38/48/542513848.db2.gz	FZJHJRWKAGOZEH-UHFFFAOYSA-N	-1	0	321.402	2.553	40	30		DFEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCO2	ZINC000102967075	425932700	/nfs/dbraw/zinc/93/27/00/425932700.db2.gz	MELIVFHSVDOGAB-MNDPQUGUSA-N	-1	0	322.324	2.606	40	30		DFEBRM
CC/N=C1/S[C@@H](CC(=O)[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000008236286	425664861	/nfs/dbraw/zinc/66/48/61/425664861.db2.gz	YNZCXRNZEXCJEH-FIKMJJSBSA-N	-1	0	312.778	2.639	40	30		DFEBRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1csc(C)n1	ZINC000079029206	520632177	/nfs/dbraw/zinc/63/21/77/520632177.db2.gz	UZYAHGCIZUPTSE-SECBINFHSA-N	-1	0	304.437	2.717	40	30		DFEBRM
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)s1	ZINC000083150762	526737472	/nfs/dbraw/zinc/73/74/72/526737472.db2.gz	VQXQKHCINOGADW-SNVBAGLBSA-N	-1	0	300.405	2.761	40	30		DFEBRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1	ZINC000079108504	185158926	/nfs/dbraw/zinc/15/89/26/185158926.db2.gz	GGCKQIDHQVWGRN-UHFFFAOYSA-N	-1	0	318.402	2.589	40	30		DFEBRM
Cn1c2ccccc2[nH]c1=NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000007343304	398361328	/nfs/dbraw/zinc/36/13/28/398361328.db2.gz	XRQZLTVRORCFIV-CXUHLZMHSA-N	-1	0	311.301	2.633	40	30		DFEBRM
O=c1[nH][n-]c(C(F)(F)F)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000005568855	181258537	/nfs/dbraw/zinc/25/85/37/181258537.db2.gz	DTDTXIFLXNJGQI-UHFFFAOYSA-N	-1	0	324.184	2.521	40	30		DFEBRM
CC(C)C[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(C(C)C)n1	ZINC000083769348	542503912	/nfs/dbraw/zinc/50/39/12/542503912.db2.gz	MTZIGIVRUFLCMA-LBPRGKRZSA-N	-1	0	315.439	2.727	40	30		DFEBRM
Cc1c(/N=C/c2ccc(N3CCOCC3)o2)cccc1C(=O)[O-]	ZINC000409017028	257224098	/nfs/dbraw/zinc/22/40/98/257224098.db2.gz	UWZKXDJYYIQAGD-WOJGMQOQSA-N	-1	0	314.341	2.873	40	30		DFEBRM
C=CCn1c(C)c([C@@H]2N[C@H](C(=O)[O-])CS2)c2ccccc21	ZINC000408810860	257226672	/nfs/dbraw/zinc/22/66/72/257226672.db2.gz	JWWOWBCULATBSH-SWLSCSKDSA-N	-1	0	302.399	2.924	40	30		DFEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)cc1	ZINC000408526612	257230204	/nfs/dbraw/zinc/23/02/04/257230204.db2.gz	FMHQRMREMAZBRD-OAHLLOKOSA-N	-1	0	321.336	2.597	40	30		DFEBRM
Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-]	ZINC000004535145	425619325	/nfs/dbraw/zinc/61/93/25/425619325.db2.gz	SWMXNDUQHOWHJB-VIZOYTHASA-N	-1	0	302.246	2.541	40	30		DFEBRM
C#CC(CC)(CC)NC(=O)[C@H]1[C@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000017054388	425786844	/nfs/dbraw/zinc/78/68/44/425786844.db2.gz	ZICYFJFBRYHUNY-XRGAULLZSA-N	-1	0	317.429	2.988	40	30		DFEBRM
O=C1C=C([O-])C(=CC=CC=Cc2c(O)cc(O)cc2O)C(=O)C1	ZINC000102312117	426488516	/nfs/dbraw/zinc/48/85/16/426488516.db2.gz	DVRDGJBDBGWKTN-VRKNDVPDSA-N	-1	0	314.293	2.766	40	30		DFEBRM
CCCCCCCCCCCC(=O)N1CC[C@H](O)[C@H]1C(=O)[O-]	ZINC000100047414	426480631	/nfs/dbraw/zinc/48/06/31/426480631.db2.gz	ASHVYUAVTJHCGJ-HOCLYGCPSA-N	-1	0	313.438	2.954	40	30		DFEBRM
CCCCCCCCCCS(=O)(=O)N(CC)CC(=O)[O-]	ZINC000100921991	426483600	/nfs/dbraw/zinc/48/36/00/426483600.db2.gz	LNISTUTYPOSYKL-UHFFFAOYSA-N	-1	0	307.456	2.863	40	30		DFEBRM
Cc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c([O-])c([N+](=O)[O-])c1	ZINC000006796528	301037131	/nfs/dbraw/zinc/03/71/31/301037131.db2.gz	COQUSXDBBNMLNC-FRKPEAEDSA-N	-1	0	312.285	2.529	40	30		DFEBRM
CCc1n[n-]c(=S)n1N=Cc1cc(Cl)c(O)c(OC)c1	ZINC000008182918	333009263	/nfs/dbraw/zinc/00/92/63/333009263.db2.gz	RWUKEPXNERIGNP-MKMNVTDBSA-N	-1	0	312.782	2.753	40	30		DFEBRM
COc1ccccc1C[C@H](C)CC(=O)[N-]S(=O)(=O)C(C)C	ZINC000078657829	524506972	/nfs/dbraw/zinc/50/69/72/524506972.db2.gz	BRXBEQBCOVBHAY-LBPRGKRZSA-N	-1	0	313.419	2.959	40	30		DFEBRM
O=C([N-]S(=O)(=O)c1cccs1)c1nccc2ccccc21	ZINC000079101895	185158384	/nfs/dbraw/zinc/15/83/84/185158384.db2.gz	YCRPNFMRKNXWBD-UHFFFAOYSA-N	-1	0	318.379	2.990	40	30		DFEBRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cccs1	ZINC000079355783	185166544	/nfs/dbraw/zinc/16/65/44/185166544.db2.gz	WGCRECVUWHLKIG-UHFFFAOYSA-N	-1	0	306.368	2.622	40	30		DFEBRM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1	ZINC000195573236	201415784	/nfs/dbraw/zinc/41/57/84/201415784.db2.gz	YPJQSZKTPHJURJ-LLVKDONJSA-N	-1	0	318.402	2.606	40	30		DFEBRM
CCc1cccc2c1NC(=O)C2=NNc1ccc(C(=O)[O-])cc1	ZINC000223732307	201654733	/nfs/dbraw/zinc/65/47/33/201654733.db2.gz	JFAKBPIFBPDHPQ-UHFFFAOYSA-N	-1	0	309.325	2.716	40	30		DFEBRM
O=C([O-])COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409044411	257224145	/nfs/dbraw/zinc/22/41/45/257224145.db2.gz	BYKFAJCENHIGQV-CXUHLZMHSA-N	-1	0	300.270	2.809	40	30		DFEBRM
N/N=C(\c1ccccc1)c1c([O-])cc(-c2ccccc2)oc1=O	ZINC000006864564	425630239	/nfs/dbraw/zinc/63/02/39/425630239.db2.gz	GEHOGZSMRYNNMN-LVZFUZTISA-N	-1	0	306.321	2.724	40	30		DFEBRM
CCCCCCCCCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225748868	426609971	/nfs/dbraw/zinc/60/99/71/426609971.db2.gz	GEFQZXHANGGTQE-FZKCQIBNSA-N	-1	0	323.433	2.898	40	30		DFEBRM
C=CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000409404885	428675202	/nfs/dbraw/zinc/67/52/02/428675202.db2.gz	FFSXOVLBUZVYJS-LGMDPLHJSA-N	-1	0	320.348	2.713	40	30		DFEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\NC(=S)Nc2ccccc2)c1	ZINC000038200724	398556374	/nfs/dbraw/zinc/55/63/74/398556374.db2.gz	MBQALLXEFNLQIJ-DHDCSXOGSA-N	-1	0	316.342	2.621	40	30		DFEBRM
CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)C3CC=CC3)cc21	ZINC000083877996	192388613	/nfs/dbraw/zinc/38/86/13/192388613.db2.gz	VQYUOYYHLMCGND-UHFFFAOYSA-N	-1	0	320.414	2.680	40	30		DFEBRM
CCOc1cccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1	ZINC000005576355	181259204	/nfs/dbraw/zinc/25/92/04/181259204.db2.gz	SUVUBDCISWQYPB-LFIBNONCSA-N	-1	0	320.370	2.778	40	30		DFEBRM
N#CCCN(CCC#N)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000081284059	192244570	/nfs/dbraw/zinc/24/45/70/192244570.db2.gz	VTDJYEJNVIZVSR-UHFFFAOYSA-N	-1	0	300.343	2.760	40	30		DFEBRM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccncc1	ZINC000079052426	399011257	/nfs/dbraw/zinc/01/12/57/399011257.db2.gz	PXGRPULXCZQKTO-UHFFFAOYSA-N	-1	0	310.762	2.570	40	30		DFEBRM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)c1ccc(F)cc1	ZINC000016478681	182046895	/nfs/dbraw/zinc/04/68/95/182046895.db2.gz	YMQPPHFURZMQQE-SNGWPZLWSA-N	-1	0	313.328	2.808	40	30		DFEBRM
C#CC(CC)(CC)NC(=O)[C@@H]1[C@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000017054385	182071954	/nfs/dbraw/zinc/07/19/54/182071954.db2.gz	ZICYFJFBRYHUNY-XNISGKROSA-N	-1	0	317.429	2.988	40	30		DFEBRM
C=CCn1c(C)c([C@H]2N[C@@H](C(=O)[O-])CS2)c2ccccc21	ZINC000408810851	257226710	/nfs/dbraw/zinc/22/67/10/257226710.db2.gz	JWWOWBCULATBSH-DOMZBBRYSA-N	-1	0	302.399	2.924	40	30		DFEBRM
C/C(=N\Cc1cccnc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362639	257232232	/nfs/dbraw/zinc/23/22/32/257232232.db2.gz	ODCJEIGKZZYHCS-UDWIEESQSA-N	-1	0	307.353	2.648	40	30		DFEBRM
COC(=O)c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000059426302	425898749	/nfs/dbraw/zinc/89/87/49/425898749.db2.gz	AJPDUUFIRLSARN-CXUHLZMHSA-N	-1	0	300.270	2.838	40	30		DFEBRM
O=C([O-])c1ccc(/N=C2/C=C(c3ccccc3)OC2=O)cc1O	ZINC000078547354	426175413	/nfs/dbraw/zinc/17/54/13/426175413.db2.gz	FMIUVNRYHLOTMG-AQTBWJFISA-N	-1	0	309.277	2.761	40	30		DFEBRM
CCCCCCCCCCS(=O)(=O)NCCCC(=O)[O-]	ZINC000100922032	426483611	/nfs/dbraw/zinc/48/36/11/426483611.db2.gz	JDARMAVKLJBDDZ-UHFFFAOYSA-N	-1	0	307.456	2.911	40	30		DFEBRM
N#Cc1c2[nH]c(=O)cc([O-])c2sc1SCc1ccncc1	ZINC000004945406	181177590	/nfs/dbraw/zinc/17/75/90/181177590.db2.gz	MOJIFMJBQRLZID-UHFFFAOYSA-N	-1	0	315.379	2.854	40	30		DFEBRM
COc1ccc(C(=O)C=Cc2c([O-])c3cccnc3[nH]c2=O)cc1	ZINC000005386839	181237827	/nfs/dbraw/zinc/23/78/27/181237827.db2.gz	UXMOLBBEIGMCNI-CMDGGOBGSA-N	-1	0	322.320	2.533	40	30		DFEBRM
Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1	ZINC000080941416	192204637	/nfs/dbraw/zinc/20/46/37/192204637.db2.gz	DIICKQPLHZGRON-UHFFFAOYSA-N	-1	0	306.318	2.512	40	30		DFEBRM
C/C(=N\[O-])c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1O	ZINC000005929784	181297486	/nfs/dbraw/zinc/29/74/86/181297486.db2.gz	TYUQGNFYJYYZLL-LFIBNONCSA-N	-1	0	321.354	2.667	40	30		DFEBRM
O=C([N-]S(=O)(=O)Cc1ccon1)C1(c2ccccc2)CCC1	ZINC000078976584	399004099	/nfs/dbraw/zinc/00/40/99/399004099.db2.gz	GDTPGWIRHKEQRB-UHFFFAOYSA-N	-1	0	320.370	2.583	40	30		DFEBRM
COc1cc(Br)c(Br)c(/C=N/[O-])c1O	ZINC000020158688	182194023	/nfs/dbraw/zinc/19/40/23/182194023.db2.gz	CSEDQLPBEFLXDE-QDEBKDIKSA-N	-1	0	324.956	2.734	40	30		DFEBRM
N#CCCN(CCC(F)(F)F)C(=O)c1c([O-])cc(F)cc1F	ZINC000084335127	542507633	/nfs/dbraw/zinc/50/76/33/542507633.db2.gz	XTSLLMFLAJAYGC-UHFFFAOYSA-N	-1	0	322.233	2.979	40	30		DFEBRM
COC(=O)c1cccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000230216800	256599616	/nfs/dbraw/zinc/59/96/16/256599616.db2.gz	MXNDEUYUVHGWRV-SXGWCWSVSA-N	-1	0	300.270	2.838	40	30		DFEBRM
O=S(=O)(Oc1ccccc1/C=N/[O-])c1ccc(Cl)cc1	ZINC000409065113	257223389	/nfs/dbraw/zinc/22/33/89/257223389.db2.gz	HMPPXZXUYLZRNE-OQLLNIDSSA-N	-1	0	311.746	2.916	40	30		DFEBRM
C=C[C@H](C)N1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408962388	257225489	/nfs/dbraw/zinc/22/54/89/257225489.db2.gz	HZBCEFFVEQNVKU-VQLBTBKJSA-N	-1	0	320.326	2.911	40	30		DFEBRM
C=CCn1c(C)c([C@@H]2N[C@@H](C(=O)[O-])CS2)c2ccccc21	ZINC000408810858	257226535	/nfs/dbraw/zinc/22/65/35/257226535.db2.gz	JWWOWBCULATBSH-IUODEOHRSA-N	-1	0	302.399	2.924	40	30		DFEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)c1	ZINC000408526502	257230498	/nfs/dbraw/zinc/23/04/98/257230498.db2.gz	CMAYOCPDZZVYQT-OAHLLOKOSA-N	-1	0	321.336	2.597	40	30		DFEBRM
CN(C)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1	ZINC000000048482	425531203	/nfs/dbraw/zinc/53/12/03/425531203.db2.gz	GPJCOCLHHWONRW-APSNUPSMSA-N	-1	0	315.324	2.534	40	30		DFEBRM
C/C(=N\OCC(=O)Nc1ccccc1C(=O)[O-])c1cccs1	ZINC000012563390	425730789	/nfs/dbraw/zinc/73/07/89/425730789.db2.gz	JALSLBYAWNKONG-LICLKQGHSA-N	-1	0	318.354	2.826	40	30		DFEBRM
CCCCCCCCCCS(=O)(=O)c1nnc([N+](=O)[O-])[n-]1	ZINC000103764355	425954112	/nfs/dbraw/zinc/95/41/12/425954112.db2.gz	MVYOXTDNPPYWTO-UHFFFAOYSA-N	-1	0	318.399	2.627	40	30		DFEBRM
O=C([O-])CC1=C(c2ccccc2)[C@@](O)(c2ccccc2)CC1=O	ZINC000001603084	304044162	/nfs/dbraw/zinc/04/41/62/304044162.db2.gz	CVXVASZAXUJKJP-IBGZPJMESA-N	-1	0	308.333	2.776	40	30		DFEBRM
O=C([N-]S(=O)(=O)c1cccc(F)c1)c1ccnc(Cl)c1	ZINC000078949014	399001894	/nfs/dbraw/zinc/00/18/94/399001894.db2.gz	JUYHPDSXZWHDSY-UHFFFAOYSA-N	-1	0	314.725	2.568	40	30		DFEBRM
COc1ccc(NC(=O)COc2ccccc2/C=N\[O-])cc1	ZINC000409379287	257219996	/nfs/dbraw/zinc/21/99/96/257219996.db2.gz	VSMFQOOOAXLWAM-YVLHZVERSA-N	-1	0	300.314	2.521	40	30		DFEBRM
C=CCN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000409139815	257221843	/nfs/dbraw/zinc/22/18/43/257221843.db2.gz	OTWGHLJITRJAOL-BJMVGYQFSA-N	-1	0	313.140	2.778	40	30		DFEBRM
COC(=O)c1ccccc1/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408905126	257225978	/nfs/dbraw/zinc/22/59/78/257225978.db2.gz	UBLINNUCYUBPJK-SXGWCWSVSA-N	-1	0	300.270	2.838	40	30		DFEBRM
C=CCNC(=S)Nc1ccc(Br)cc1C(=O)[O-]	ZINC000196524329	426542756	/nfs/dbraw/zinc/54/27/56/426542756.db2.gz	LQPCMMJPLPFQBB-UHFFFAOYSA-N	-1	0	315.192	2.620	40	30		DFEBRM
O=C([O-])CN=NP(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000301054434	427772996	/nfs/dbraw/zinc/77/29/96/427772996.db2.gz	LTLXPZWOKSVOGM-UHFFFAOYSA-N	-1	0	320.241	2.913	40	30		DFEBRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1csc(C)n1	ZINC000079029209	521019520	/nfs/dbraw/zinc/01/95/20/521019520.db2.gz	UZYAHGCIZUPTSE-VIFPVBQESA-N	-1	0	304.437	2.717	40	30		DFEBRM
COc1ccccc1C[C@@H](C)CC(=O)[N-]S(=O)(=O)C(C)C	ZINC000078657832	524498368	/nfs/dbraw/zinc/49/83/68/524498368.db2.gz	BRXBEQBCOVBHAY-GFCCVEGCSA-N	-1	0	313.419	2.959	40	30		DFEBRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1sc(C)nc1C	ZINC000083150713	185214449	/nfs/dbraw/zinc/21/44/49/185214449.db2.gz	VHQPEMXRZVTWQR-UHFFFAOYSA-N	-1	0	316.429	2.823	40	30		DFEBRM
CCCCC/C(C)=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004523318	181119318	/nfs/dbraw/zinc/11/93/18/181119318.db2.gz	WTFVUVDDKLXJLH-KAMYIIQDSA-N	-1	0	313.379	2.829	40	30		DFEBRM
CC=C(CC1=C([O-])c2ccccc2C(=O)C1=O)C(=O)OCC	ZINC000004972267	181182094	/nfs/dbraw/zinc/18/20/94/181182094.db2.gz	OHPSXRRMWYCTQO-KMKOMSMNSA-N	-1	0	300.310	2.777	40	30		DFEBRM
Cc1ccc(C(=O)C=Cc2c([O-])c3cccnc3[nH]c2=O)cc1	ZINC000005387253	181238041	/nfs/dbraw/zinc/23/80/41/181238041.db2.gz	YISBEHGQXMJWKD-CMDGGOBGSA-N	-1	0	306.321	2.833	40	30		DFEBRM
CCOc1cccc(C=NNc2ccccc2)c1OCC(=O)[O-]	ZINC000409216722	257220642	/nfs/dbraw/zinc/22/06/42/257220642.db2.gz	KRGWHRRKMDJJJF-WQRHYEAKSA-N	-1	0	314.341	2.995	40	30		DFEBRM
COc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cn1	ZINC000408842734	257225991	/nfs/dbraw/zinc/22/59/91/257225991.db2.gz	AXHMLIDFUPWVMX-JWHLFPLYSA-N	-1	0	300.314	2.693	40	30		DFEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2)C1=O	ZINC000408526450	257230121	/nfs/dbraw/zinc/23/01/21/257230121.db2.gz	BAOKLMIPMVTNDF-AWEZNQCLSA-N	-1	0	321.336	2.597	40	30		DFEBRM
COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1/C2=N\[O-]	ZINC000022246659	295043549	/nfs/dbraw/zinc/04/35/49/295043549.db2.gz	OQBWOFIJTJSWDX-CCEZHUSRSA-N	-1	0	315.241	2.719	40	30		DFEBRM
Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C#N)c1C	ZINC000004143916	302880730	/nfs/dbraw/zinc/88/07/30/302880730.db2.gz	PWPPALRPZQVLHT-URBCHYCLSA-N	-1	0	316.382	2.698	40	30		DFEBRM
N#Cc1ccnc([N-]S(=O)(=O)c2cccc3ccccc32)c1	ZINC000195578595	323284758	/nfs/dbraw/zinc/28/47/58/323284758.db2.gz	BAHDUWCKQJMOMO-UHFFFAOYSA-N	-1	0	309.350	2.907	40	30		DFEBRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2sc(C)nc2C)c(C)o1	ZINC000083150982	185214490	/nfs/dbraw/zinc/21/44/90/185214490.db2.gz	JBBJBUCZMREEGZ-UHFFFAOYSA-N	-1	0	314.388	2.663	40	30		DFEBRM
CCCS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccc(C)cc1	ZINC000078948451	399001518	/nfs/dbraw/zinc/00/15/18/399001518.db2.gz	AJQIVFXVKLWTJU-UHFFFAOYSA-N	-1	0	308.359	2.694	40	30		DFEBRM
COc1ccsc1S(=O)(=O)[N-]c1ccccc1CC#N	ZINC000193360192	256591657	/nfs/dbraw/zinc/59/16/57/256591657.db2.gz	FRKGFQMTUOETFU-UHFFFAOYSA-N	-1	0	308.384	2.624	40	30		DFEBRM
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408915822	257225239	/nfs/dbraw/zinc/22/52/39/257225239.db2.gz	ZPQCYWLXKGIYHE-DNTJNYDQSA-N	-1	0	323.356	2.574	40	30		DFEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)cc1	ZINC000408526610	257230137	/nfs/dbraw/zinc/23/01/37/257230137.db2.gz	FMHQRMREMAZBRD-HNNXBMFYSA-N	-1	0	321.336	2.597	40	30		DFEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccnc1Cl	ZINC000100149854	426480923	/nfs/dbraw/zinc/48/09/23/426480923.db2.gz	DUFWEYCHIUFBMA-CPNJWEJPSA-N	-1	0	313.748	2.926	40	30		DFEBRM
Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C#N)c1C	ZINC000004143908	302880610	/nfs/dbraw/zinc/88/06/10/302880610.db2.gz	PWPPALRPZQVLHT-DNIRFERGSA-N	-1	0	316.382	2.698	40	30		DFEBRM