smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169021018 785017374 /nfs/dbraw/zinc/01/73/74/785017374.db2.gz NKDPZGLOCKIHHG-BFHYXJOUSA-N 1 2 322.409 2.242 20 5 DEBDLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169021018 785017382 /nfs/dbraw/zinc/01/73/82/785017382.db2.gz NKDPZGLOCKIHHG-BFHYXJOUSA-N 1 2 322.409 2.242 20 5 DEBDLO CSc1nc(Cl)nc(NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC001157531460 786532769 /nfs/dbraw/zinc/53/27/69/786532769.db2.gz LAPDNSWDXWSNTJ-UHFFFAOYSA-N 1 2 317.802 2.265 20 5 DEBDLO CCOC(=O)C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354503 786917930 /nfs/dbraw/zinc/91/79/30/786917930.db2.gz MIGFTUCDIVMZPT-LBPRGKRZSA-N 1 2 324.377 2.419 20 5 DEBDLO CCOC(=O)C[N@@H+](CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354503 786917933 /nfs/dbraw/zinc/91/79/33/786917933.db2.gz MIGFTUCDIVMZPT-LBPRGKRZSA-N 1 2 324.377 2.419 20 5 DEBDLO [CH2]CC[N@H+](CC[NH3+])[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181559 793620808 /nfs/dbraw/zinc/62/08/08/793620808.db2.gz GIXWMNQCYYEQFR-LLVKDONJSA-N 1 2 312.365 2.158 20 5 DEBDLO [CH2]CC[N@@H+](CC[NH3+])[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181559 793620813 /nfs/dbraw/zinc/62/08/13/793620813.db2.gz GIXWMNQCYYEQFR-LLVKDONJSA-N 1 2 312.365 2.158 20 5 DEBDLO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccccc1[N+](=O)[O-] ZINC001175897955 794308088 /nfs/dbraw/zinc/30/80/88/794308088.db2.gz HJBMBDDLMAYYQA-SNVBAGLBSA-N 1 2 324.358 2.442 20 5 DEBDLO C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001116494272 794960155 /nfs/dbraw/zinc/96/01/55/794960155.db2.gz CISHCGQJCLRDSW-JTQLQIEISA-N 1 2 322.752 2.365 20 5 DEBDLO Cc1cc(F)cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]1 ZINC001120856379 795544267 /nfs/dbraw/zinc/54/42/67/795544267.db2.gz BZRRMZZMIDWOBC-UHFFFAOYSA-N 1 2 317.324 2.159 20 5 DEBDLO Cc1noc(C[N@@H+](CCO)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC001192358383 797372167 /nfs/dbraw/zinc/37/21/67/797372167.db2.gz GMEBPKAYMCKNIF-GFCCVEGCSA-N 1 2 305.334 2.447 20 5 DEBDLO Cc1noc(C[N@H+](CCO)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC001192358383 797372170 /nfs/dbraw/zinc/37/21/70/797372170.db2.gz GMEBPKAYMCKNIF-GFCCVEGCSA-N 1 2 305.334 2.447 20 5 DEBDLO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1noc(C)n1 ZINC001193239286 797529081 /nfs/dbraw/zinc/52/90/81/797529081.db2.gz OKROWPXIUNPHEG-ZDUSSCGKSA-N 1 2 306.322 2.406 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)cc(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161320709 798826606 /nfs/dbraw/zinc/82/66/06/798826606.db2.gz PDHHCPRJCGZBCQ-UHFFFAOYSA-N 1 2 305.725 2.339 20 5 DEBDLO CCOC(=O)c1cccc([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC001161684431 798910585 /nfs/dbraw/zinc/91/05/85/798910585.db2.gz ADXPGTFQORLUCK-UHFFFAOYSA-N 1 2 318.333 2.470 20 5 DEBDLO CN1Cc2cc(NCCCn3cc[nH+]c3)cc([N+](=O)[O-])c2N1 ZINC001161689097 798913041 /nfs/dbraw/zinc/91/30/41/798913041.db2.gz HJGQPNREAHLRNK-UHFFFAOYSA-N 1 2 302.338 2.066 20 5 DEBDLO O=[N+]([O-])c1ccc2ccc(N3CC[NH2+]CC(F)(F)C3)nc2c1 ZINC001164492661 799609545 /nfs/dbraw/zinc/60/95/45/799609545.db2.gz DCLMFNYALGZUHJ-UHFFFAOYSA-N 1 2 308.288 2.188 20 5 DEBDLO O=[N+]([O-])c1ccc2ccnc(N3CC[NH2+]CC(F)(F)C3)c2c1 ZINC001164498046 799610613 /nfs/dbraw/zinc/61/06/13/799610613.db2.gz OGKINSBWFFECNN-UHFFFAOYSA-N 1 2 308.288 2.188 20 5 DEBDLO Cc1nc(Nc2ccccc2[N+](=O)[O-])cc(N2CCOCC2)[nH+]1 ZINC001206150166 800480227 /nfs/dbraw/zinc/48/02/27/800480227.db2.gz GNKKADNFBXRCJV-UHFFFAOYSA-N 1 2 315.333 2.273 20 5 DEBDLO O=[N+]([O-])c1cc(Nc2ccc[nH+]c2N2CCOCC2)ccc1O ZINC001210393363 801389982 /nfs/dbraw/zinc/38/99/82/801389982.db2.gz QWIGDNGUNIPGNZ-UHFFFAOYSA-N 1 2 316.317 2.276 20 5 DEBDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218174416 802149882 /nfs/dbraw/zinc/14/98/82/802149882.db2.gz BEEKNLIFPPKVMA-RYUDHWBXSA-N 1 2 322.361 2.175 20 5 DEBDLO C[C@@H](OCc1c[nH+]cn1C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001222595339 802714033 /nfs/dbraw/zinc/71/40/33/802714033.db2.gz WXOOZFFOEMWADX-SECBINFHSA-N 1 2 305.290 2.335 20 5 DEBDLO C[NH+]1CCC(Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])CC1 ZINC001228861838 803422462 /nfs/dbraw/zinc/42/24/62/803422462.db2.gz IBEVGKYAEBZWPX-UHFFFAOYSA-N 1 2 321.255 2.187 20 5 DEBDLO CCc1[nH]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC001456144393 1057821843 /nfs/dbraw/zinc/82/18/43/1057821843.db2.gz WFAJAXNMSOXOBD-UHFFFAOYSA-N 1 2 322.752 2.393 20 5 DEBDLO CCc1[nH]cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC001456144393 1057821849 /nfs/dbraw/zinc/82/18/49/1057821849.db2.gz WFAJAXNMSOXOBD-UHFFFAOYSA-N 1 2 322.752 2.393 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c[nH+]1 ZINC001456143088 1057821885 /nfs/dbraw/zinc/82/18/85/1057821885.db2.gz QRUDFGBTPNDJNO-UHFFFAOYSA-N 1 2 313.317 2.292 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH+]1 ZINC001456143088 1057821892 /nfs/dbraw/zinc/82/18/92/1057821892.db2.gz QRUDFGBTPNDJNO-UHFFFAOYSA-N 1 2 313.317 2.292 20 5 DEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc[nH+]c1N ZINC001466784777 1059535881 /nfs/dbraw/zinc/53/58/81/1059535881.db2.gz UGZKDVVDEZBDJV-UHFFFAOYSA-N 1 2 315.333 2.456 20 5 DEBDLO Cc1cc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001622257791 1078186692 /nfs/dbraw/zinc/18/66/92/1078186692.db2.gz MUESVIZUKGLNTD-UHFFFAOYSA-N 1 2 321.358 2.085 20 5 DEBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC001631415867 1078364234 /nfs/dbraw/zinc/36/42/34/1078364234.db2.gz YQVOJXOQIJYFEV-UHFFFAOYSA-N 1 2 323.378 2.474 20 5 DEBDLO Cc1[nH]c([C@H]2CCCN2c2ncc([N+](=O)[O-])c(C)n2)[nH+]c1C ZINC001640404058 1078658922 /nfs/dbraw/zinc/65/89/22/1078658922.db2.gz XUCNDPZPTHWSMH-LLVKDONJSA-N 1 2 302.338 2.375 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C2 ZINC001640449319 1078661509 /nfs/dbraw/zinc/66/15/09/1078661509.db2.gz HODZUDUPKAGEHI-UHFFFAOYSA-N 1 2 317.305 2.282 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c[nH+]1 ZINC001642044876 1078740398 /nfs/dbraw/zinc/74/03/98/1078740398.db2.gz GTHXUAKAURAJBS-UHFFFAOYSA-N 1 2 303.322 2.056 20 5 DEBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001514960211 1068817881 /nfs/dbraw/zinc/81/78/81/1068817881.db2.gz DMKKDZSNKANBGN-RBSFLKMASA-N 1 2 322.336 2.285 20 5 DEBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001514960211 1068817896 /nfs/dbraw/zinc/81/78/96/1068817896.db2.gz DMKKDZSNKANBGN-RBSFLKMASA-N 1 2 322.336 2.285 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001647344975 1074889151 /nfs/dbraw/zinc/88/91/51/1074889151.db2.gz WXSRDWGTXHHLTN-UHFFFAOYSA-N 1 2 314.345 2.435 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1Cl ZINC001557693425 1075071710 /nfs/dbraw/zinc/07/17/10/1075071710.db2.gz OREIHIHWNYMKIL-SECBINFHSA-N 1 2 306.709 2.320 20 5 DEBDLO Cc1cc(NC(=O)NCCc2cn(C)c[nH+]2)cc([N+](=O)[O-])c1 ZINC001563388329 1075167311 /nfs/dbraw/zinc/16/73/11/1075167311.db2.gz SEJMBEHGYFYVGM-UHFFFAOYSA-N 1 2 303.322 2.001 20 5 DEBDLO Cc1[nH]c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001566257856 1075238832 /nfs/dbraw/zinc/23/88/32/1075238832.db2.gz JNWGHNSFHAAGGT-UHFFFAOYSA-N 1 2 302.334 2.184 20 5 DEBDLO Cc1[nH]c(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])[nH+]c1C ZINC001566258346 1075239135 /nfs/dbraw/zinc/23/91/35/1075239135.db2.gz YSIVAFBBHJXKDG-UHFFFAOYSA-N 1 2 320.324 2.323 20 5 DEBDLO Cc1cnc(N2CCc3cc[nH+]c(N(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001336829533 1142587303 /nfs/dbraw/zinc/58/73/03/1142587303.db2.gz PFJMVUGHVNCJLT-UHFFFAOYSA-N 1 2 313.361 2.322 20 5 DEBDLO CCc1[nH]c(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001303974193 1147340353 /nfs/dbraw/zinc/34/03/53/1147340353.db2.gz BUDQBTKGGQEWPK-KBPBESRZSA-N 1 2 314.345 2.300 20 5 DEBDLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001303974193 1147340361 /nfs/dbraw/zinc/34/03/61/1147340361.db2.gz BUDQBTKGGQEWPK-KBPBESRZSA-N 1 2 314.345 2.300 20 5 DEBDLO Nc1nnc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)o1 ZINC001307893273 1147438620 /nfs/dbraw/zinc/43/86/20/1147438620.db2.gz PKJMUWDPWFYVSM-UHFFFAOYSA-N 1 2 309.351 2.001 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001310799519 1147523561 /nfs/dbraw/zinc/52/35/61/1147523561.db2.gz JVCQNMUDJMRHFZ-VIFPVBQESA-N 1 2 307.285 2.141 20 5 DEBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000153714203 282173427 /nfs/dbraw/zinc/17/34/27/282173427.db2.gz KYDZSDQKZMUGGX-ZJUUUORDSA-N 1 2 314.773 2.164 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOCC1CC1 ZINC000088599967 185259691 /nfs/dbraw/zinc/25/96/91/185259691.db2.gz IZARYRCDQPZPJC-UHFFFAOYSA-N 1 2 321.377 2.200 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOCC1CC1 ZINC000088599967 185259692 /nfs/dbraw/zinc/25/96/92/185259692.db2.gz IZARYRCDQPZPJC-UHFFFAOYSA-N 1 2 321.377 2.200 20 5 DEBDLO O=C1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000092703038 185334089 /nfs/dbraw/zinc/33/40/89/185334089.db2.gz UWECYBXXBGLCNX-YOFOWSBGSA-N 1 2 315.373 2.351 20 5 DEBDLO O=C1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000092703038 185334090 /nfs/dbraw/zinc/33/40/90/185334090.db2.gz UWECYBXXBGLCNX-YOFOWSBGSA-N 1 2 315.373 2.351 20 5 DEBDLO CC(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC000182203234 199403099 /nfs/dbraw/zinc/40/30/99/199403099.db2.gz JQIFSWJKPNVXTE-UHFFFAOYSA-N 1 2 305.378 2.346 20 5 DEBDLO CC(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC000182203234 199403101 /nfs/dbraw/zinc/40/31/01/199403101.db2.gz JQIFSWJKPNVXTE-UHFFFAOYSA-N 1 2 305.378 2.346 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000032534185 354150941 /nfs/dbraw/zinc/15/09/41/354150941.db2.gz AFDHZAQRLHKWGC-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO CCN(CC)C(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000048054770 354340805 /nfs/dbraw/zinc/34/08/05/354340805.db2.gz WNCCKISUMFLSNN-UHFFFAOYSA-N 1 2 320.393 2.174 20 5 DEBDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058983145 354603893 /nfs/dbraw/zinc/60/38/93/354603893.db2.gz NNLYUNIZWMIIDQ-LBPRGKRZSA-N 1 2 323.418 2.240 20 5 DEBDLO CCOC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618275938 363443451 /nfs/dbraw/zinc/44/34/51/363443451.db2.gz SBZWOUJAPRNUGT-UHFFFAOYSA-N 1 2 304.350 2.472 20 5 DEBDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000076404521 355146484 /nfs/dbraw/zinc/14/64/84/355146484.db2.gz MFQJBDDOTAYBPY-CQSZACIVSA-N 1 2 321.377 2.343 20 5 DEBDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000076404521 355146488 /nfs/dbraw/zinc/14/64/88/355146488.db2.gz MFQJBDDOTAYBPY-CQSZACIVSA-N 1 2 321.377 2.343 20 5 DEBDLO Cc1nn(C)c(NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000078615974 191896657 /nfs/dbraw/zinc/89/66/57/191896657.db2.gz PUXLUGNVZUDVNV-UHFFFAOYSA-N 1 2 304.354 2.336 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000578725033 356861018 /nfs/dbraw/zinc/86/10/18/356861018.db2.gz VWLVUCNCYNTXNC-ZIAGYGMSSA-N 1 2 324.356 2.184 20 5 DEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]2C[C@H]21 ZINC000586897574 357378636 /nfs/dbraw/zinc/37/86/36/357378636.db2.gz CUEMWHAWENGICS-SMDDNHRTSA-N 1 2 312.329 2.405 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]2C[C@@H]21 ZINC000590759169 357604174 /nfs/dbraw/zinc/60/41/74/357604174.db2.gz YEJIRIHRPDMEKT-RISCZKNCSA-N 1 2 312.329 2.405 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)cc1 ZINC000179534730 199051852 /nfs/dbraw/zinc/05/18/52/199051852.db2.gz ANIZUWSREUYIKL-UHFFFAOYSA-N 1 2 317.345 2.002 20 5 DEBDLO CCN1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593498452 358091338 /nfs/dbraw/zinc/09/13/38/358091338.db2.gz KJHFMJZHUQXLNI-LLVKDONJSA-N 1 2 314.345 2.423 20 5 DEBDLO CCc1nn(C)c(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000180410335 199155959 /nfs/dbraw/zinc/15/59/59/199155959.db2.gz ADSHAACMZYIAKE-UHFFFAOYSA-N 1 2 304.354 2.200 20 5 DEBDLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594513924 358287372 /nfs/dbraw/zinc/28/73/72/358287372.db2.gz VCVLTFFHYJXVKV-GWCFXTLKSA-N 1 2 317.349 2.415 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000595042184 358381994 /nfs/dbraw/zinc/38/19/94/358381994.db2.gz QIKKNRQTEAXOAI-SECBINFHSA-N 1 2 317.349 2.450 20 5 DEBDLO Cc1noc(C[NH2+][C@H](CCCO)c2ccccc2)c1[N+](=O)[O-] ZINC000595418422 358443313 /nfs/dbraw/zinc/44/33/13/358443313.db2.gz QFZGRFORXMEBHY-CYBMUJFWSA-N 1 2 305.334 2.495 20 5 DEBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1[N+](=O)[O-] ZINC000595419255 358443360 /nfs/dbraw/zinc/44/33/60/358443360.db2.gz JEQTVSWVGNNQSJ-GTUYJWLHSA-N 1 2 323.374 2.479 20 5 DEBDLO Cc1noc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1[N+](=O)[O-] ZINC000595822339 358556205 /nfs/dbraw/zinc/55/62/05/358556205.db2.gz RCVRVBHBDXTJLX-UHFFFAOYSA-N 1 2 307.350 2.282 20 5 DEBDLO Cc1noc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1[N+](=O)[O-] ZINC000595822339 358556208 /nfs/dbraw/zinc/55/62/08/358556208.db2.gz RCVRVBHBDXTJLX-UHFFFAOYSA-N 1 2 307.350 2.282 20 5 DEBDLO CCc1[nH]nc(-c2nc(Cc3c[nH+]ccc3C)no2)c1[N+](=O)[O-] ZINC000596617658 358725320 /nfs/dbraw/zinc/72/53/20/358725320.db2.gz VUZMRIZBJNEZHF-UHFFFAOYSA-N 1 2 314.305 2.225 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597860658 359025670 /nfs/dbraw/zinc/02/56/70/359025670.db2.gz BENLIAZBIOCXRI-JTQLQIEISA-N 1 2 320.374 2.457 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597860658 359025672 /nfs/dbraw/zinc/02/56/72/359025672.db2.gz BENLIAZBIOCXRI-JTQLQIEISA-N 1 2 320.374 2.457 20 5 DEBDLO C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598464669 359208689 /nfs/dbraw/zinc/20/86/89/359208689.db2.gz LFIWMTBLFNTCIC-GHMZBOCLSA-N 1 2 302.334 2.309 20 5 DEBDLO Cc1c(CC(=O)N[C@@H](C)c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000598466318 359209579 /nfs/dbraw/zinc/20/95/79/359209579.db2.gz YLCACAHHUBLZDU-NSHDSACASA-N 1 2 302.334 2.057 20 5 DEBDLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000599952995 359625695 /nfs/dbraw/zinc/62/56/95/359625695.db2.gz SHYOGAIGQIHDFA-JTQLQIEISA-N 1 2 300.318 2.006 20 5 DEBDLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000599952995 359625698 /nfs/dbraw/zinc/62/56/98/359625698.db2.gz SHYOGAIGQIHDFA-JTQLQIEISA-N 1 2 300.318 2.006 20 5 DEBDLO Cc1[nH]c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC000600113920 359651327 /nfs/dbraw/zinc/65/13/27/359651327.db2.gz ZLYIXYRVWSZVPW-UHFFFAOYSA-N 1 2 315.377 2.257 20 5 DEBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000601034543 359901438 /nfs/dbraw/zinc/90/14/38/359901438.db2.gz BKSCTZFYHFKYEB-SNVBAGLBSA-N 1 2 318.308 2.477 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000604197227 360890183 /nfs/dbraw/zinc/89/01/83/360890183.db2.gz GZOFRSSPWNGDRD-UHFFFAOYSA-N 1 2 318.333 2.010 20 5 DEBDLO Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000609029573 361277434 /nfs/dbraw/zinc/27/74/34/361277434.db2.gz XYPFNQYEVOTPIZ-UHFFFAOYSA-N 1 2 313.313 2.202 20 5 DEBDLO CC1(C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610116677 361360689 /nfs/dbraw/zinc/36/06/89/361360689.db2.gz OMDDNQZWLZBTSD-UHFFFAOYSA-N 1 2 300.318 2.405 20 5 DEBDLO COC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000610371963 361391685 /nfs/dbraw/zinc/39/16/85/361391685.db2.gz PINOTKLXVXRJSU-UHFFFAOYSA-N 1 2 322.361 2.057 20 5 DEBDLO COC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000610371963 361391688 /nfs/dbraw/zinc/39/16/88/361391688.db2.gz PINOTKLXVXRJSU-UHFFFAOYSA-N 1 2 322.361 2.057 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610585149 361427494 /nfs/dbraw/zinc/42/74/94/361427494.db2.gz CCJMGQDBKNMGNT-MISXGVKJSA-N 1 2 319.361 2.415 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610585149 361427500 /nfs/dbraw/zinc/42/75/00/361427500.db2.gz CCJMGQDBKNMGNT-MISXGVKJSA-N 1 2 319.361 2.415 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000611349051 361583854 /nfs/dbraw/zinc/58/38/54/361583854.db2.gz SYFVYJXMUQWAMD-KGLIPLIRSA-N 1 2 305.378 2.062 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC=CCC1 ZINC000611517275 361619852 /nfs/dbraw/zinc/61/98/52/361619852.db2.gz NEAUFWJVBKNUEL-LLVKDONJSA-N 1 2 305.334 2.192 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC=CCC1 ZINC000611517275 361619855 /nfs/dbraw/zinc/61/98/55/361619855.db2.gz NEAUFWJVBKNUEL-LLVKDONJSA-N 1 2 305.334 2.192 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275484587 212363683 /nfs/dbraw/zinc/36/36/83/212363683.db2.gz OSNFXASPPDCCGL-BXUZGUMPSA-N 1 2 321.377 2.015 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275484587 212363686 /nfs/dbraw/zinc/36/36/86/212363686.db2.gz OSNFXASPPDCCGL-BXUZGUMPSA-N 1 2 321.377 2.015 20 5 DEBDLO Cc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451547161 243097403 /nfs/dbraw/zinc/09/74/03/243097403.db2.gz KKAUNQCWZGLXES-CYBMUJFWSA-N 1 2 301.350 2.401 20 5 DEBDLO Cc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451547161 243097413 /nfs/dbraw/zinc/09/74/13/243097413.db2.gz KKAUNQCWZGLXES-CYBMUJFWSA-N 1 2 301.350 2.401 20 5 DEBDLO CC[C@H]1COCC[N@@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001329673876 1148963517 /nfs/dbraw/zinc/96/35/17/1148963517.db2.gz MCKISMJPRGJICZ-LBPRGKRZSA-N 1 2 320.393 2.086 20 5 DEBDLO CC[C@H]1COCC[N@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001329673876 1148963533 /nfs/dbraw/zinc/96/35/33/1148963533.db2.gz MCKISMJPRGJICZ-LBPRGKRZSA-N 1 2 320.393 2.086 20 5 DEBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456359401 247122757 /nfs/dbraw/zinc/12/27/57/247122757.db2.gz CUKOIMAVRIMXFT-PRHODGIISA-N 1 2 304.281 2.366 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000267874510 206315606 /nfs/dbraw/zinc/31/56/06/206315606.db2.gz LSFADWXHXNPVHC-UHFFFAOYSA-N 1 2 302.334 2.220 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000493248771 249259853 /nfs/dbraw/zinc/25/98/53/249259853.db2.gz ASYWLOHMGSHYPG-NSHDSACASA-N 1 2 314.769 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000493248771 249259855 /nfs/dbraw/zinc/25/98/55/249259855.db2.gz ASYWLOHMGSHYPG-NSHDSACASA-N 1 2 314.769 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000273888448 211146608 /nfs/dbraw/zinc/14/66/08/211146608.db2.gz OGVLDVWSCCQSCT-ZDUSSCGKSA-N 1 2 316.317 2.181 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000273888448 211146612 /nfs/dbraw/zinc/14/66/12/211146612.db2.gz OGVLDVWSCCQSCT-ZDUSSCGKSA-N 1 2 316.317 2.181 20 5 DEBDLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000553003957 291730640 /nfs/dbraw/zinc/73/06/40/291730640.db2.gz CMQDRZZXXIMSPG-YPMHNXCESA-N 1 2 314.345 2.231 20 5 DEBDLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000553003956 291730753 /nfs/dbraw/zinc/73/07/53/291730753.db2.gz CMQDRZZXXIMSPG-WCQYABFASA-N 1 2 314.345 2.231 20 5 DEBDLO COCCO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285303447 218372366 /nfs/dbraw/zinc/37/23/66/218372366.db2.gz MGSRBRMDCIBSTN-LLVKDONJSA-N 1 2 316.304 2.110 20 5 DEBDLO COCCO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285303447 218372367 /nfs/dbraw/zinc/37/23/67/218372367.db2.gz MGSRBRMDCIBSTN-LLVKDONJSA-N 1 2 316.304 2.110 20 5 DEBDLO CCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000060493731 184150201 /nfs/dbraw/zinc/15/02/01/184150201.db2.gz FTJDDISHJQSZMG-UHFFFAOYSA-N 1 2 321.377 2.343 20 5 DEBDLO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000121784934 195347255 /nfs/dbraw/zinc/34/72/55/195347255.db2.gz ARGKEAOVHJQAJV-PRHODGIISA-N 1 2 301.293 2.004 20 5 DEBDLO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000121784934 195347256 /nfs/dbraw/zinc/34/72/56/195347256.db2.gz ARGKEAOVHJQAJV-PRHODGIISA-N 1 2 301.293 2.004 20 5 DEBDLO CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000356120368 133066958 /nfs/dbraw/zinc/06/69/58/133066958.db2.gz KMPCTTVVDUUDJH-JTQLQIEISA-N 1 2 314.305 2.075 20 5 DEBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc2[nH+]ccn21 ZINC000357443597 133078588 /nfs/dbraw/zinc/07/85/88/133078588.db2.gz RQJHJLJWZRRMDN-UHFFFAOYSA-N 1 2 312.285 2.260 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362508418 133234655 /nfs/dbraw/zinc/23/46/55/133234655.db2.gz GXARORARTHXJNT-HNNXBMFYSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362508418 133234656 /nfs/dbraw/zinc/23/46/56/133234656.db2.gz GXARORARTHXJNT-HNNXBMFYSA-N 1 2 306.362 2.222 20 5 DEBDLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000348873564 146325213 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O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000033457793 401891180 /nfs/dbraw/zinc/89/11/80/401891180.db2.gz WWHXAMXEMZVIKN-SREVYHEPSA-N 1 2 300.318 2.011 20 5 DEBDLO CN(C)c1[nH+]cccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000047976194 401991343 /nfs/dbraw/zinc/99/13/43/401991343.db2.gz HKOILPCHAMCBIQ-UHFFFAOYSA-N 1 2 316.317 2.073 20 5 DEBDLO O=C(NCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000122415958 402077366 /nfs/dbraw/zinc/07/73/66/402077366.db2.gz MNVIGYOMHMGIJN-UHFFFAOYSA-N 1 2 314.223 2.267 20 5 DEBDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123433596 402127575 /nfs/dbraw/zinc/12/75/75/402127575.db2.gz JOSFBLCVJKZKDH-NSHDSACASA-N 1 2 315.329 2.175 20 5 DEBDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123433596 402127577 /nfs/dbraw/zinc/12/75/77/402127577.db2.gz JOSFBLCVJKZKDH-NSHDSACASA-N 1 2 315.329 2.175 20 5 DEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCn1cc[nH+]c1 ZINC000097677078 402130132 /nfs/dbraw/zinc/13/01/32/402130132.db2.gz LYNJBLIPVNQJBM-UHFFFAOYSA-N 1 2 320.374 2.090 20 5 DEBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153396606 402142663 /nfs/dbraw/zinc/14/26/63/402142663.db2.gz RNAKXWJNKAJTIT-CYBMUJFWSA-N 1 2 323.780 2.491 20 5 DEBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153396606 402142664 /nfs/dbraw/zinc/14/26/64/402142664.db2.gz RNAKXWJNKAJTIT-CYBMUJFWSA-N 1 2 323.780 2.491 20 5 DEBDLO Cc1c(C(=O)N(C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000154845003 402235353 /nfs/dbraw/zinc/23/53/53/402235353.db2.gz HAATVLZFNTVLTL-UHFFFAOYSA-N 1 2 302.334 2.262 20 5 DEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cc[nH+]c1 ZINC000185025969 402318010 /nfs/dbraw/zinc/31/80/10/402318010.db2.gz ANQDZPJPPUTZBM-CQSZACIVSA-N 1 2 316.361 2.176 20 5 DEBDLO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186244300 402414478 /nfs/dbraw/zinc/41/44/78/402414478.db2.gz WYSHISFYDHJQKE-UHFFFAOYSA-N 1 2 309.366 2.152 20 5 DEBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163298911 402446242 /nfs/dbraw/zinc/44/62/42/402446242.db2.gz IWLHIPIKHSHSCM-CYBMUJFWSA-N 1 2 311.769 2.301 20 5 DEBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163298911 402446243 /nfs/dbraw/zinc/44/62/43/402446243.db2.gz IWLHIPIKHSHSCM-CYBMUJFWSA-N 1 2 311.769 2.301 20 5 DEBDLO Cc1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000180588926 402620738 /nfs/dbraw/zinc/62/07/38/402620738.db2.gz GRLIGYWLZGCELV-NSHDSACASA-N 1 2 319.390 2.441 20 5 DEBDLO Cc1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000180588926 402620740 /nfs/dbraw/zinc/62/07/40/402620740.db2.gz GRLIGYWLZGCELV-NSHDSACASA-N 1 2 319.390 2.441 20 5 DEBDLO O=C(NCCCNc1cccc[nH+]1)c1csc([N+](=O)[O-])c1 ZINC000172113202 402640802 /nfs/dbraw/zinc/64/08/02/402640802.db2.gz QTUISYVMZNFUBY-UHFFFAOYSA-N 1 2 306.347 2.283 20 5 DEBDLO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181808131 402657558 /nfs/dbraw/zinc/65/75/58/402657558.db2.gz SQPZVOHOSAIABT-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181808131 402657559 /nfs/dbraw/zinc/65/75/59/402657559.db2.gz SQPZVOHOSAIABT-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000172589423 402664285 /nfs/dbraw/zinc/66/42/85/402664285.db2.gz IEHGZIJMVUDUTN-NSHDSACASA-N 1 2 309.391 2.279 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000172589423 402664288 /nfs/dbraw/zinc/66/42/88/402664288.db2.gz IEHGZIJMVUDUTN-NSHDSACASA-N 1 2 309.391 2.279 20 5 DEBDLO C[NH+](C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000182143153 402668278 /nfs/dbraw/zinc/66/82/78/402668278.db2.gz CCZLTRFBARHTHZ-UHFFFAOYSA-N 1 2 316.317 2.009 20 5 DEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000172698235 402670632 /nfs/dbraw/zinc/67/06/32/402670632.db2.gz BKOFSIYYEMTWLM-UHFFFAOYSA-N 1 2 300.318 2.405 20 5 DEBDLO C[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000255199365 402681717 /nfs/dbraw/zinc/68/17/17/402681717.db2.gz GUZDORVYDPJVKQ-FWWRYZNZSA-N 1 2 314.345 2.257 20 5 DEBDLO Cc1cc(C)c(S(=O)(=O)Nc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000191902063 402697429 /nfs/dbraw/zinc/69/74/29/402697429.db2.gz GGIBKDAOHCDGCK-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO CC(=O)c1ccc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000264238733 402860962 /nfs/dbraw/zinc/86/09/62/402860962.db2.gz JCOFIDHMRYNEIU-NEPJUHHUSA-N 1 2 321.377 2.319 20 5 DEBDLO CCC[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272522967 402947919 /nfs/dbraw/zinc/94/79/19/402947919.db2.gz LQPOPBWBBJCJFX-GJZGRUSLSA-N 1 2 318.377 2.168 20 5 DEBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272580651 402955892 /nfs/dbraw/zinc/95/58/92/402955892.db2.gz YBPNIEFUCZGGSE-CABCVRRESA-N 1 2 316.361 2.186 20 5 DEBDLO Cn1cnnc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279154060 402910438 /nfs/dbraw/zinc/91/04/38/402910438.db2.gz SWOBJDZLONWTOD-ZDUSSCGKSA-N 1 2 301.350 2.236 20 5 DEBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000273607224 403019075 /nfs/dbraw/zinc/01/90/75/403019075.db2.gz MTHIYSXFEBADLI-MRVPVSSYSA-N 1 2 321.362 2.044 20 5 DEBDLO Cc1nc(N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000268507023 403089549 /nfs/dbraw/zinc/08/95/49/403089549.db2.gz RFPYCLBDGUMWJU-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277375755 403211175 /nfs/dbraw/zinc/21/11/75/403211175.db2.gz FYYASIXPVLVWEQ-OQJQWRGRSA-N 1 2 308.403 2.308 20 5 DEBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277375755 403211178 /nfs/dbraw/zinc/21/11/78/403211178.db2.gz FYYASIXPVLVWEQ-OQJQWRGRSA-N 1 2 308.403 2.308 20 5 DEBDLO CC(=O)c1cc(NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000286089204 403446720 /nfs/dbraw/zinc/44/67/20/403446720.db2.gz DSYPAXKLLLFNEF-UHFFFAOYSA-N 1 2 321.377 2.320 20 5 DEBDLO CC(=O)c1cc(NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000286089204 403446723 /nfs/dbraw/zinc/44/67/23/403446723.db2.gz DSYPAXKLLLFNEF-UHFFFAOYSA-N 1 2 321.377 2.320 20 5 DEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](c2ccccc2)C1 ZINC000298859878 403475253 /nfs/dbraw/zinc/47/52/53/403475253.db2.gz RPCPXTMYXKJHCH-AWEZNQCLSA-N 1 2 314.345 2.052 20 5 DEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](c2ccccc2)C1 ZINC000298859878 403475257 /nfs/dbraw/zinc/47/52/57/403475257.db2.gz RPCPXTMYXKJHCH-AWEZNQCLSA-N 1 2 314.345 2.052 20 5 DEBDLO O=C(N[C@@H]1C[C@H]1C(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345803670 403490471 /nfs/dbraw/zinc/49/04/71/403490471.db2.gz KSUWROVEHYWBDE-NXEZZACHSA-N 1 2 322.271 2.164 20 5 DEBDLO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286431689 403525515 /nfs/dbraw/zinc/52/55/15/403525515.db2.gz BQVTYMIULRIKLI-UHFFFAOYSA-N 1 2 321.377 2.248 20 5 DEBDLO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332271822 403536558 /nfs/dbraw/zinc/53/65/58/403536558.db2.gz CWNLYDRMLADHHZ-LBPRGKRZSA-N 1 2 316.361 2.414 20 5 DEBDLO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332271822 403536562 /nfs/dbraw/zinc/53/65/62/403536562.db2.gz CWNLYDRMLADHHZ-LBPRGKRZSA-N 1 2 316.361 2.414 20 5 DEBDLO Cc1nc(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000286702977 403543805 /nfs/dbraw/zinc/54/38/05/403543805.db2.gz DHBKMHJNZPQDCV-UHFFFAOYSA-N 1 2 317.324 2.159 20 5 DEBDLO CC[C@H]1C(=O)NCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347322610 403663876 /nfs/dbraw/zinc/66/38/76/403663876.db2.gz RJGLNSNMPAYVDH-RZXPCSSPSA-N 1 2 303.362 2.209 20 5 DEBDLO CC[C@H]1C(=O)NCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347322610 403663877 /nfs/dbraw/zinc/66/38/77/403663877.db2.gz RJGLNSNMPAYVDH-RZXPCSSPSA-N 1 2 303.362 2.209 20 5 DEBDLO CCN1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347378632 403686250 /nfs/dbraw/zinc/68/62/50/403686250.db2.gz PVXNSXQBLXLOJM-UKTHLTGXSA-N 1 2 303.362 2.162 20 5 DEBDLO CCN1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347378632 403686255 /nfs/dbraw/zinc/68/62/55/403686255.db2.gz PVXNSXQBLXLOJM-UKTHLTGXSA-N 1 2 303.362 2.162 20 5 DEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347281511 403648128 /nfs/dbraw/zinc/64/81/28/403648128.db2.gz ZDHWGKLAIFPPEZ-SNVBAGLBSA-N 1 2 319.296 2.067 20 5 DEBDLO COC(=O)c1cnc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000302743475 403720169 /nfs/dbraw/zinc/72/01/69/403720169.db2.gz DTZRKIIWHGACOT-UHFFFAOYSA-N 1 2 316.317 2.134 20 5 DEBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000347969219 403985678 /nfs/dbraw/zinc/98/56/78/403985678.db2.gz BVDCPNNFKMCCCI-SECBINFHSA-N 1 2 318.337 2.142 20 5 DEBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000347969219 403985683 /nfs/dbraw/zinc/98/56/83/403985683.db2.gz BVDCPNNFKMCCCI-SECBINFHSA-N 1 2 318.337 2.142 20 5 DEBDLO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000412049193 404088625 /nfs/dbraw/zinc/08/86/25/404088625.db2.gz YXTVLMHPBHHQBU-VIFPVBQESA-N 1 2 321.362 2.126 20 5 DEBDLO NC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290118988 404048968 /nfs/dbraw/zinc/04/89/68/404048968.db2.gz YLSOQYMJPSBKDH-ZETCQYMHSA-N 1 2 318.160 2.209 20 5 DEBDLO NC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290118988 404048972 /nfs/dbraw/zinc/04/89/72/404048972.db2.gz YLSOQYMJPSBKDH-ZETCQYMHSA-N 1 2 318.160 2.209 20 5 DEBDLO CCc1nocc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000350475565 404396852 /nfs/dbraw/zinc/39/68/52/404396852.db2.gz IZLUDJFTWSZRMF-UHFFFAOYSA-N 1 2 316.361 2.467 20 5 DEBDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000297197816 404495683 /nfs/dbraw/zinc/49/56/83/404495683.db2.gz FVPWYWYWAFLURO-UKRRQHHQSA-N 1 2 314.345 2.257 20 5 DEBDLO COc1c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000356649978 404639043 /nfs/dbraw/zinc/63/90/43/404639043.db2.gz HEHYGMWTQRWAHI-GFCCVEGCSA-N 1 2 316.317 2.304 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccn(CC)n1 ZINC000414479481 404647895 /nfs/dbraw/zinc/64/78/95/404647895.db2.gz IGVWEJRBIIBKQI-UHFFFAOYSA-N 1 2 304.350 2.500 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000365470313 404669524 /nfs/dbraw/zinc/66/95/24/404669524.db2.gz ZNFBDEHTQYRRCQ-LBPRGKRZSA-N 1 2 314.345 2.266 20 5 DEBDLO CCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000366610540 404823888 /nfs/dbraw/zinc/82/38/88/404823888.db2.gz RZXAYTBUNURPCN-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000366610540 404823889 /nfs/dbraw/zinc/82/38/89/404823889.db2.gz RZXAYTBUNURPCN-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000361199515 404969360 /nfs/dbraw/zinc/96/93/60/404969360.db2.gz IJGWHEKPRSURRY-LBPRGKRZSA-N 1 2 302.334 2.203 20 5 DEBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361511314 405108456 /nfs/dbraw/zinc/10/84/56/405108456.db2.gz QRVNRPKYTIAPNA-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361511314 405108458 /nfs/dbraw/zinc/10/84/58/405108458.db2.gz QRVNRPKYTIAPNA-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO CC(C)[NH+](CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1O)C(C)C ZINC000436625530 405111672 /nfs/dbraw/zinc/11/16/72/405111672.db2.gz DQKLSRSTIHFHGQ-UHFFFAOYSA-N 1 2 323.393 2.491 20 5 DEBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408360560 405186546 /nfs/dbraw/zinc/18/65/46/405186546.db2.gz VWXKJVYGUSPUKT-NSHDSACASA-N 1 2 322.361 2.461 20 5 DEBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408360560 405186548 /nfs/dbraw/zinc/18/65/48/405186548.db2.gz VWXKJVYGUSPUKT-NSHDSACASA-N 1 2 322.361 2.461 20 5 DEBDLO CC[N@@H+]1CCO[C@H](c2nc(-c3cccc([N+](=O)[O-])c3C)no2)C1 ZINC000420497493 405357464 /nfs/dbraw/zinc/35/74/64/405357464.db2.gz BXXCUKVGJPQFED-ZDUSSCGKSA-N 1 2 318.333 2.346 20 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ZINC000295877089 225338026 /nfs/dbraw/zinc/33/80/26/225338026.db2.gz FQEAVKKUNJTVMX-IKGGRYGDSA-N 1 2 318.373 2.272 20 5 DEBDLO NC(=O)c1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000194023141 424873101 /nfs/dbraw/zinc/87/31/01/424873101.db2.gz CVKRXXDYYFTFJN-UHFFFAOYSA-N 1 2 315.333 2.003 20 5 DEBDLO Cc1cccc2[nH+]c(CCNc3ccc([N+](=O)[O-])c(C)n3)cn21 ZINC000592005913 425003374 /nfs/dbraw/zinc/00/33/74/425003374.db2.gz GGWVFZCWXGGCEI-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DEBDLO CC(C)Oc1nc(N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596541652 425026974 /nfs/dbraw/zinc/02/69/74/425026974.db2.gz IJEKVRCMEFVGHK-SNVBAGLBSA-N 1 2 305.338 2.684 20 5 DEBDLO CC(C)(C(=O)N1CC(n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000516668351 269367427 /nfs/dbraw/zinc/36/74/27/269367427.db2.gz AAZLYSUSFXESRK-UHFFFAOYSA-N 1 2 314.345 2.152 20 5 DEBDLO Cc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000292517245 278710644 /nfs/dbraw/zinc/71/06/44/278710644.db2.gz GVSBMTPBZBDHTP-ZDUSSCGKSA-N 1 2 323.368 2.343 20 5 DEBDLO Cc1ccncc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296111888 292804602 /nfs/dbraw/zinc/80/46/02/292804602.db2.gz UWANMMVMRKONKI-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368971968 295137375 /nfs/dbraw/zinc/13/73/75/295137375.db2.gz DTXTXKPLNIIMSJ-LQJRIPTKSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368971968 295137377 /nfs/dbraw/zinc/13/73/77/295137377.db2.gz DTXTXKPLNIIMSJ-LQJRIPTKSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346669876 295137460 /nfs/dbraw/zinc/13/74/60/295137460.db2.gz JDZOZSRXHBTTDL-BFVZDQMLSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346669876 295137462 /nfs/dbraw/zinc/13/74/62/295137462.db2.gz JDZOZSRXHBTTDL-BFVZDQMLSA-N 1 2 323.780 2.334 20 5 DEBDLO C[C@@H](C(=O)NCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000575975573 326259564 /nfs/dbraw/zinc/25/95/64/326259564.db2.gz RNLDQEBYLWTVNJ-GFCCVEGCSA-N 1 2 314.345 2.322 20 5 DEBDLO Cc1ccc(CCNc2cccc(C(N)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000583338754 331484422 /nfs/dbraw/zinc/48/44/22/331484422.db2.gz FNKPEVYLCLRHJH-UHFFFAOYSA-N 1 2 300.318 2.052 20 5 DEBDLO CC(C)(C(=O)NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000358131479 534337924 /nfs/dbraw/zinc/33/79/24/534337924.db2.gz NNEGYKUHIBHLIF-UHFFFAOYSA-N 1 2 320.324 2.094 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCS[C@H](C)C1 ZINC000246157295 526144874 /nfs/dbraw/zinc/14/48/74/526144874.db2.gz QMJDIWBGGVYUSV-GHMZBOCLSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCS[C@H](C)C1 ZINC000246157295 526144885 /nfs/dbraw/zinc/14/48/85/526144885.db2.gz QMJDIWBGGVYUSV-GHMZBOCLSA-N 1 2 309.391 2.359 20 5 DEBDLO CCOC(=O)COCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413307279 528841017 /nfs/dbraw/zinc/84/10/17/528841017.db2.gz AIJUECGQOIDCJM-UHFFFAOYSA-N 1 2 319.317 2.135 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(F)c1 ZINC001327859167 1148660390 /nfs/dbraw/zinc/66/03/90/1148660390.db2.gz URUGXUULKKVSJL-WYPFBEBGSA-N 1 2 312.316 2.466 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(F)c1 ZINC001327859167 1148660398 /nfs/dbraw/zinc/66/03/98/1148660398.db2.gz URUGXUULKKVSJL-WYPFBEBGSA-N 1 2 312.316 2.466 20 5 DEBDLO COc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000892908885 625708670 /nfs/dbraw/zinc/70/86/70/625708670.db2.gz IJRQWRWOMJUIIG-WCQYABFASA-N 1 2 317.349 2.282 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933664919 624591370 /nfs/dbraw/zinc/59/13/70/624591370.db2.gz HOMXEGWFVJRJOG-UKRRQHHQSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933664919 624591376 /nfs/dbraw/zinc/59/13/76/624591376.db2.gz HOMXEGWFVJRJOG-UKRRQHHQSA-N 1 2 306.362 2.222 20 5 DEBDLO COc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000745079401 625839646 /nfs/dbraw/zinc/83/96/46/625839646.db2.gz KMFJJASWVZCPRO-LBPRGKRZSA-N 1 2 308.334 2.131 20 5 DEBDLO COc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000745079401 625839653 /nfs/dbraw/zinc/83/96/53/625839653.db2.gz KMFJJASWVZCPRO-LBPRGKRZSA-N 1 2 308.334 2.131 20 5 DEBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1(CO)CC1 ZINC000839602630 639767477 /nfs/dbraw/zinc/76/74/77/639767477.db2.gz WBFZELBJFJOEDR-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1(CO)CC1 ZINC000839602630 639767479 /nfs/dbraw/zinc/76/74/79/639767479.db2.gz WBFZELBJFJOEDR-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1C ZINC000897731002 640923161 /nfs/dbraw/zinc/92/31/61/640923161.db2.gz VFGLWUHIFJIZBN-LBPRGKRZSA-N 1 2 314.345 2.153 20 5 DEBDLO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000898483565 641673182 /nfs/dbraw/zinc/67/31/82/641673182.db2.gz LXBDBFAFTBARKF-GFCCVEGCSA-N 1 2 309.341 2.067 20 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COc1cc([C@@H](C)[NH2+][C@H](C)c2nncn2C)cc([N+](=O)[O-])c1 ZINC000903091127 643245753 /nfs/dbraw/zinc/24/57/53/643245753.db2.gz NQNUUMKFYROBEF-NXEZZACHSA-N 1 2 305.338 2.144 20 5 DEBDLO O=C(CCc1c[nH]c[nH+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000793638923 644282960 /nfs/dbraw/zinc/28/29/60/644282960.db2.gz JPQODMBJCOIHSX-UHFFFAOYSA-N 1 2 308.725 2.220 20 5 DEBDLO O=C(CCc1c[nH+]c[nH]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000793638923 644282962 /nfs/dbraw/zinc/28/29/62/644282962.db2.gz JPQODMBJCOIHSX-UHFFFAOYSA-N 1 2 308.725 2.220 20 5 DEBDLO C[C@H]1CSCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794646414 644451983 /nfs/dbraw/zinc/45/19/83/644451983.db2.gz STPGTOIOPULOAV-SNVBAGLBSA-N 1 2 323.374 2.145 20 5 DEBDLO C[C@H]1CSCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794646414 644451987 /nfs/dbraw/zinc/45/19/87/644451987.db2.gz STPGTOIOPULOAV-SNVBAGLBSA-N 1 2 323.374 2.145 20 5 DEBDLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028937 645289082 /nfs/dbraw/zinc/28/90/82/645289082.db2.gz XAVCXZGGUAEDGD-ZIAGYGMSSA-N 1 2 301.302 2.138 20 5 DEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803361436 645640597 /nfs/dbraw/zinc/64/05/97/645640597.db2.gz MALBFEYNOIIUFY-CYBMUJFWSA-N 1 2 314.288 2.401 20 5 DEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803361436 645640603 /nfs/dbraw/zinc/64/06/03/645640603.db2.gz MALBFEYNOIIUFY-CYBMUJFWSA-N 1 2 314.288 2.401 20 5 DEBDLO CC(C)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000912616613 646113646 /nfs/dbraw/zinc/11/36/46/646113646.db2.gz LLIRKYPQWFEIDM-UHFFFAOYSA-N 1 2 306.297 2.096 20 5 DEBDLO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809577327 646239575 /nfs/dbraw/zinc/23/95/75/646239575.db2.gz OBWCPOACOVWBKP-CYBMUJFWSA-N 1 2 300.742 2.020 20 5 DEBDLO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809577327 646239584 /nfs/dbraw/zinc/23/95/84/646239584.db2.gz OBWCPOACOVWBKP-CYBMUJFWSA-N 1 2 300.742 2.020 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811783670 646577997 /nfs/dbraw/zinc/57/79/97/646577997.db2.gz UNCYAHAWAUJULW-MRXNPFEDSA-N 1 2 314.345 2.219 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811783670 646578001 /nfs/dbraw/zinc/57/80/01/646578001.db2.gz UNCYAHAWAUJULW-MRXNPFEDSA-N 1 2 314.345 2.219 20 5 DEBDLO C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000814034598 646839710 /nfs/dbraw/zinc/83/97/10/646839710.db2.gz ITNJIZBSHVMBNS-ZFWWWQNUSA-N 1 2 306.362 2.250 20 5 DEBDLO C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000814034598 646839716 /nfs/dbraw/zinc/83/97/16/646839716.db2.gz ITNJIZBSHVMBNS-ZFWWWQNUSA-N 1 2 306.362 2.250 20 5 DEBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC000816845356 647189482 /nfs/dbraw/zinc/18/94/82/647189482.db2.gz LASGUPGQLKMUDO-UHFFFAOYSA-N 1 2 308.725 2.172 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000822359989 648195618 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DEBDLO O=C(NCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000115160098 401820613 /nfs/dbraw/zinc/82/06/13/401820613.db2.gz QFUNKGXIGKDTGD-UHFFFAOYSA-N 1 2 300.318 2.222 20 5 DEBDLO O=[N+]([O-])c1cc(Br)cnc1NCCn1cc[nH+]c1 ZINC000048686977 402006374 /nfs/dbraw/zinc/00/63/74/402006374.db2.gz MXTGLBHCRUKPSX-UHFFFAOYSA-N 1 2 312.127 2.061 20 5 DEBDLO Cc1[nH+]c2ccccn2c1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000125004364 402208068 /nfs/dbraw/zinc/20/80/68/402208068.db2.gz BPZYEBLXSKUIBI-UHFFFAOYSA-N 1 2 318.720 2.414 20 5 DEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C[NH+]1CCCCC1 ZINC000184680203 402290806 /nfs/dbraw/zinc/29/08/06/402290806.db2.gz DFKAQXMBDUKYES-GFCCVEGCSA-N 1 2 321.377 2.152 20 5 DEBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1 ZINC000160487936 402347672 /nfs/dbraw/zinc/34/76/72/402347672.db2.gz LNCPCKVLGFDNAL-UHFFFAOYSA-N 1 2 317.370 2.255 20 5 DEBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1 ZINC000160487936 402347673 /nfs/dbraw/zinc/34/76/73/402347673.db2.gz LNCPCKVLGFDNAL-UHFFFAOYSA-N 1 2 317.370 2.255 20 5 DEBDLO COC(=O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000177626070 402421496 /nfs/dbraw/zinc/42/14/96/402421496.db2.gz HVVYQJCQBKBUDY-CQSZACIVSA-N 1 2 308.334 2.001 20 5 DEBDLO COC(=O)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000177626070 402421501 /nfs/dbraw/zinc/42/15/01/402421501.db2.gz HVVYQJCQBKBUDY-CQSZACIVSA-N 1 2 308.334 2.001 20 5 DEBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775099 402538407 /nfs/dbraw/zinc/53/84/07/402538407.db2.gz IWIHAPKJWLJDBI-VIFPVBQESA-N 1 2 319.283 2.094 20 5 DEBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775099 402538409 /nfs/dbraw/zinc/53/84/09/402538409.db2.gz IWIHAPKJWLJDBI-VIFPVBQESA-N 1 2 319.283 2.094 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352466564 286249626 /nfs/dbraw/zinc/24/96/26/286249626.db2.gz DGIHHJFKUFWUHD-CQSZACIVSA-N 1 2 319.365 2.219 20 5 DEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000182251890 402676460 /nfs/dbraw/zinc/67/64/60/402676460.db2.gz JIRAHVXRHGEUKA-CQSZACIVSA-N 1 2 308.334 2.001 20 5 DEBDLO CCOC(=O)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000182251890 402676464 /nfs/dbraw/zinc/67/64/64/402676464.db2.gz JIRAHVXRHGEUKA-CQSZACIVSA-N 1 2 308.334 2.001 20 5 DEBDLO COC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000193099379 402764605 /nfs/dbraw/zinc/76/46/05/402764605.db2.gz GVFIOCMBYUHGBZ-DYEKYZERSA-N 1 2 306.362 2.457 20 5 DEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000183555984 402775705 /nfs/dbraw/zinc/77/57/05/402775705.db2.gz DFEQHFTYECERDD-LLVKDONJSA-N 1 2 316.321 2.472 20 5 DEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000175317747 402797145 /nfs/dbraw/zinc/79/71/45/402797145.db2.gz CKLBRCDNAIQZGG-UHFFFAOYSA-N 1 2 319.342 2.050 20 5 DEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265667617 402938854 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2.165 20 5 DEBDLO CCCn1ncnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415187 403151632 /nfs/dbraw/zinc/15/16/32/403151632.db2.gz IVTSDOPDQMAGIA-UHFFFAOYSA-N 1 2 303.366 2.271 20 5 DEBDLO CCCn1ncnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415187 403151634 /nfs/dbraw/zinc/15/16/34/403151634.db2.gz IVTSDOPDQMAGIA-UHFFFAOYSA-N 1 2 303.366 2.271 20 5 DEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000338962599 403299389 /nfs/dbraw/zinc/29/93/89/403299389.db2.gz XCUGLEYYGNQLRG-MRXNPFEDSA-N 1 2 302.330 2.466 20 5 DEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000338962599 403299391 /nfs/dbraw/zinc/29/93/91/403299391.db2.gz XCUGLEYYGNQLRG-MRXNPFEDSA-N 1 2 302.330 2.466 20 5 DEBDLO C[C@H]1[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331041266 403314433 /nfs/dbraw/zinc/31/44/33/403314433.db2.gz DLVADNAFTGBBJF-GFCCVEGCSA-N 1 2 321.377 2.057 20 5 DEBDLO C[C@H]1[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331041266 403314436 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315.329 2.166 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000286191422 403469209 /nfs/dbraw/zinc/46/92/09/403469209.db2.gz QVMLNCFDGCVUTL-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000332181510 403507284 /nfs/dbraw/zinc/50/72/84/403507284.db2.gz ACHDSXSCXGMTBD-KGLIPLIRSA-N 1 2 310.375 2.007 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000332181510 403507289 /nfs/dbraw/zinc/50/72/89/403507289.db2.gz ACHDSXSCXGMTBD-KGLIPLIRSA-N 1 2 310.375 2.007 20 5 DEBDLO Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ncc1[N+](=O)[O-] ZINC000301650777 403658308 /nfs/dbraw/zinc/65/83/08/403658308.db2.gz RZDKCXBTWNBRNB-ZDUSSCGKSA-N 1 2 300.318 2.351 20 5 DEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cn2ccccc2[nH+]1 ZINC000351719014 403875752 /nfs/dbraw/zinc/87/57/52/403875752.db2.gz BWAFEYDIRNDJQB-UHFFFAOYSA-N 1 2 310.313 2.101 20 5 DEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000368880897 403891911 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DEBDLO O=C1NCC[C@]12CCC[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567516882 292319522 /nfs/dbraw/zinc/31/95/22/292319522.db2.gz MCYNLEYBEWHHGI-CQSZACIVSA-N 1 2 309.753 2.103 20 5 DEBDLO O=C1NCC[C@]12CCC[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567516882 292319525 /nfs/dbraw/zinc/31/95/25/292319525.db2.gz MCYNLEYBEWHHGI-CQSZACIVSA-N 1 2 309.753 2.103 20 5 DEBDLO Cc1nnc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000366996982 404892882 /nfs/dbraw/zinc/89/28/82/404892882.db2.gz PPMLELXAVRIAPQ-SECBINFHSA-N 1 2 322.394 2.349 20 5 DEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378520082 404990108 /nfs/dbraw/zinc/99/01/08/404990108.db2.gz RCKZHRCCIMDXHJ-CYBMUJFWSA-N 1 2 300.318 2.224 20 5 DEBDLO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869189 405155609 /nfs/dbraw/zinc/15/56/09/405155609.db2.gz LYIKYPZDGCJKSA-GFCCVEGCSA-N 1 2 321.377 2.295 20 5 DEBDLO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869189 405155616 /nfs/dbraw/zinc/15/56/16/405155616.db2.gz LYIKYPZDGCJKSA-GFCCVEGCSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000408280561 405160859 /nfs/dbraw/zinc/16/08/59/405160859.db2.gz IRIJBWVBGJXPHM-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000408280561 405160866 /nfs/dbraw/zinc/16/08/66/405160866.db2.gz IRIJBWVBGJXPHM-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000421777052 405643031 /nfs/dbraw/zinc/64/30/31/405643031.db2.gz WYUYHTRHUVGITL-NSHDSACASA-N 1 2 316.361 2.474 20 5 DEBDLO CC(C)(CF)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450961913 406001228 /nfs/dbraw/zinc/00/12/28/406001228.db2.gz AJEDPGNAGYEKIX-UHFFFAOYSA-N 1 2 306.297 2.258 20 5 DEBDLO COc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000518776858 406158096 /nfs/dbraw/zinc/15/80/96/406158096.db2.gz LVGGOPOWTHFSQP-JTQLQIEISA-N 1 2 304.306 2.390 20 5 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5 DEBDLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000872791778 689094780 /nfs/dbraw/zinc/09/47/80/689094780.db2.gz YJUQCBPHNDKSST-GFCCVEGCSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000872791778 689094781 /nfs/dbraw/zinc/09/47/81/689094781.db2.gz YJUQCBPHNDKSST-GFCCVEGCSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000872791778 689094784 /nfs/dbraw/zinc/09/47/84/689094784.db2.gz YJUQCBPHNDKSST-GFCCVEGCSA-N 1 2 318.381 2.475 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000878976922 690541513 /nfs/dbraw/zinc/54/15/13/690541513.db2.gz XLQUUHGHXDAVGY-LSDHHAIUSA-N 1 2 314.345 2.255 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000878976922 690541516 /nfs/dbraw/zinc/54/15/16/690541516.db2.gz XLQUUHGHXDAVGY-LSDHHAIUSA-N 1 2 314.345 2.255 20 5 DEBDLO CC(C)(O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000879626766 690693827 /nfs/dbraw/zinc/69/38/27/690693827.db2.gz QEDRVTVJVLBUGB-UHFFFAOYSA-N 1 2 321.377 2.016 20 5 DEBDLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880437507 690898683 /nfs/dbraw/zinc/89/86/83/690898683.db2.gz LXRJRKASMVBBQG-KGLIPLIRSA-N 1 2 316.304 2.109 20 5 DEBDLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880437507 690898686 /nfs/dbraw/zinc/89/86/86/690898686.db2.gz LXRJRKASMVBBQG-KGLIPLIRSA-N 1 2 316.304 2.109 20 5 DEBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000886265851 692039325 /nfs/dbraw/zinc/03/93/25/692039325.db2.gz SUKGBHTWLQITII-CQSZACIVSA-N 1 2 305.309 2.342 20 5 DEBDLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886445220 692084342 /nfs/dbraw/zinc/08/43/42/692084342.db2.gz ZUGNJWUSFPOCKI-HNNXBMFYSA-N 1 2 301.346 2.464 20 5 DEBDLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886445220 692084345 /nfs/dbraw/zinc/08/43/45/692084345.db2.gz ZUGNJWUSFPOCKI-HNNXBMFYSA-N 1 2 301.346 2.464 20 5 DEBDLO COc1cc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)on1 ZINC000924843078 693192785 /nfs/dbraw/zinc/19/27/85/693192785.db2.gz XHDAXEGWXRIIBI-VIFPVBQESA-N 1 2 307.306 2.451 20 5 DEBDLO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000932344190 694596815 /nfs/dbraw/zinc/59/68/15/694596815.db2.gz WPRCXSCIDFSBRT-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000932344190 694596816 /nfs/dbraw/zinc/59/68/16/694596816.db2.gz WPRCXSCIDFSBRT-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCn3cccc3C2)c2c(c1)COCO2 ZINC000932530937 694633173 /nfs/dbraw/zinc/63/31/73/694633173.db2.gz QKORUXBWDZLOGW-UHFFFAOYSA-N 1 2 315.329 2.279 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCn3cccc3C2)c2c(c1)COCO2 ZINC000932530937 694633174 /nfs/dbraw/zinc/63/31/74/694633174.db2.gz QKORUXBWDZLOGW-UHFFFAOYSA-N 1 2 315.329 2.279 20 5 DEBDLO CSc1cccc(C(=O)NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC001347736243 1151093994 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COc1nscc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176473879 794436051 /nfs/dbraw/zinc/43/60/51/794436051.db2.gz BOACXUHNZORFEA-CYBMUJFWSA-N 1 2 323.374 2.225 20 5 DEBDLO COc1nscc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176473879 794436054 /nfs/dbraw/zinc/43/60/54/794436054.db2.gz BOACXUHNZORFEA-CYBMUJFWSA-N 1 2 323.374 2.225 20 5 DEBDLO C[C@@H]1COCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001116016523 794935876 /nfs/dbraw/zinc/93/58/76/794935876.db2.gz URFQPMNWZHGIER-SNVBAGLBSA-N 1 2 322.390 2.337 20 5 DEBDLO C[C@@H]1COCC[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001116016523 794935881 /nfs/dbraw/zinc/93/58/81/794935881.db2.gz URFQPMNWZHGIER-SNVBAGLBSA-N 1 2 322.390 2.337 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(C(F)F)C1 ZINC001150760059 796974870 /nfs/dbraw/zinc/97/48/70/796974870.db2.gz GOUXCQWUTKWEIZ-UHFFFAOYSA-N 1 2 322.271 2.118 20 5 DEBDLO O=C(NCCNc1cccc[nH+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001160478704 798694281 /nfs/dbraw/zinc/69/42/81/798694281.db2.gz RWJHSQMQJJWQDS-UHFFFAOYSA-N 1 2 320.736 2.485 20 5 DEBDLO Cc1cc(N2CC[NH2+]CC(F)(F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164493207 799609626 /nfs/dbraw/zinc/60/96/26/799609626.db2.gz PKSMOHKQGXPUAQ-UHFFFAOYSA-N 1 2 322.315 2.496 20 5 DEBDLO C[C@@H](C[N+](C)(C)C)Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1 ZINC001229622147 801298567 /nfs/dbraw/zinc/29/85/67/801298567.db2.gz DLOIECVBLRHZJZ-SMDDNHRTSA-O 1 2 323.438 2.054 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218173480 802149746 /nfs/dbraw/zinc/14/97/46/802149746.db2.gz BEEKNLIFPPKVMA-NEPJUHHUSA-N 1 2 322.361 2.175 20 5 DEBDLO O=[N+]([O-])c1ccc2nc(O[C@H]3C[NH2+]CC3(F)F)sc2c1 ZINC001218232614 802158298 /nfs/dbraw/zinc/15/82/98/802158298.db2.gz DXAZJPZIHWZVCP-VIFPVBQESA-N 1 2 301.274 2.190 20 5 DEBDLO CC(C)[NH+]1CC(Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226803968 803162216 /nfs/dbraw/zinc/16/22/16/803162216.db2.gz HDVRPXHKEPNFLQ-UHFFFAOYSA-N 1 2 306.297 2.149 20 5 DEBDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256535 803335644 /nfs/dbraw/zinc/33/56/44/803335644.db2.gz YNBZOFLRGAJBJK-SNVBAGLBSA-N 1 2 300.742 2.348 20 5 DEBDLO Cc1[nH]c(=O)cc(OC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228685578 803394662 /nfs/dbraw/zinc/39/46/62/803394662.db2.gz IHUDTOCSXDEGQM-UHFFFAOYSA-N 1 2 315.329 2.267 20 5 DEBDLO CNc1c(C(=O)OCC(C)(C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC001345256307 1150876385 /nfs/dbraw/zinc/87/63/85/1150876385.db2.gz WYRLVXFHJICIFV-UHFFFAOYSA-N 1 2 318.333 2.425 20 5 DEBDLO CCNc1cc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc[nH+]1 ZINC001472847634 1060595273 /nfs/dbraw/zinc/59/52/73/1060595273.db2.gz OCFQBVPHTQWTJN-UHFFFAOYSA-N 1 2 315.333 2.133 20 5 DEBDLO Cc1c[nH+]cc(C)c1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001537892076 1072324891 /nfs/dbraw/zinc/32/48/91/1072324891.db2.gz RUOKLMHDJFNOJH-UHFFFAOYSA-N 1 2 319.292 2.185 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001636012782 1078464238 /nfs/dbraw/zinc/46/42/38/1078464238.db2.gz PKRIIHQABPNEAA-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001636012782 1078464242 /nfs/dbraw/zinc/46/42/42/1078464242.db2.gz PKRIIHQABPNEAA-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO CC(C)[N@H+](CC[N+](=O)[O-])Cc1cnn(Cc2ccccc2)c1 ZINC001642404347 1078753185 /nfs/dbraw/zinc/75/31/85/1078753185.db2.gz OTGMYHWECXLKHO-UHFFFAOYSA-N 1 2 302.378 2.419 20 5 DEBDLO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1cnn(Cc2ccccc2)c1 ZINC001642404347 1078753187 /nfs/dbraw/zinc/75/31/87/1078753187.db2.gz OTGMYHWECXLKHO-UHFFFAOYSA-N 1 2 302.378 2.419 20 5 DEBDLO Cn1c[nH+]cc1CCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001515352882 1068868211 /nfs/dbraw/zinc/86/82/11/1068868211.db2.gz YAGMHBWJWZGRPA-UHFFFAOYSA-N 1 2 303.318 2.047 20 5 DEBDLO Cc1c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001643586967 1078805721 /nfs/dbraw/zinc/80/57/21/1078805721.db2.gz DOOLMLXHAKRFKG-FRRDWIJNSA-N 1 2 305.378 2.343 20 5 DEBDLO Cc1c(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001643586967 1078805731 /nfs/dbraw/zinc/80/57/31/1078805731.db2.gz DOOLMLXHAKRFKG-FRRDWIJNSA-N 1 2 305.378 2.343 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001557693709 1075071553 /nfs/dbraw/zinc/07/15/53/1075071553.db2.gz SELOQKODNKSYDV-NSHDSACASA-N 1 2 306.709 2.320 20 5 DEBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)[nH+]c1C ZINC001558351187 1075091395 /nfs/dbraw/zinc/09/13/95/1075091395.db2.gz IUOAMNACFXJBQE-ZDUSSCGKSA-N 1 2 315.333 2.307 20 5 DEBDLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001587810801 1076427629 /nfs/dbraw/zinc/42/76/29/1076427629.db2.gz GOWWWCVECPBQLR-KGLIPLIRSA-N 1 2 314.345 2.355 20 5 DEBDLO CCOCCN1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001652098815 1079851807 /nfs/dbraw/zinc/85/18/07/1079851807.db2.gz XWSJPJIDBZWCJZ-UHFFFAOYSA-N 1 2 321.421 2.366 20 5 DEBDLO CCc1noc(C)c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654503481 1079967071 /nfs/dbraw/zinc/96/70/71/1079967071.db2.gz NAYZFIBUTHDSGR-MRXNPFEDSA-N 1 2 319.361 2.451 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001658923747 1080222919 /nfs/dbraw/zinc/22/29/19/1080222919.db2.gz PZPOIXFTHHQYQD-ZBFHGGJFSA-N 1 2 317.389 2.455 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001658923747 1080222926 /nfs/dbraw/zinc/22/29/26/1080222926.db2.gz PZPOIXFTHHQYQD-ZBFHGGJFSA-N 1 2 317.389 2.455 20 5 DEBDLO CC(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001266898405 1082439672 /nfs/dbraw/zinc/43/96/72/1082439672.db2.gz FUQPJEKRYMKROR-JYAVWHMHSA-N 1 2 323.418 2.249 20 5 DEBDLO CC(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001266898405 1082439675 /nfs/dbraw/zinc/43/96/75/1082439675.db2.gz FUQPJEKRYMKROR-JYAVWHMHSA-N 1 2 323.418 2.249 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCn2c[nH+]cc2C1 ZINC001119044320 1090083133 /nfs/dbraw/zinc/08/31/33/1090083133.db2.gz JMWLRMAYRPTKRX-UHFFFAOYSA-N 1 2 300.318 2.064 20 5 DEBDLO Cc1[nH]c(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)[nH+]c1C ZINC001294518819 1139205036 /nfs/dbraw/zinc/20/50/36/1139205036.db2.gz GGOOBONUYXCWLW-UHFFFAOYSA-N 1 2 302.334 2.482 20 5 DEBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1cccnc1 ZINC001321073325 1141046634 /nfs/dbraw/zinc/04/66/34/1141046634.db2.gz MGYIEOBGFDXSHA-UHFFFAOYSA-N 1 2 312.329 2.334 20 5 DEBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1cccnc1 ZINC001321073325 1141046645 /nfs/dbraw/zinc/04/66/45/1141046645.db2.gz MGYIEOBGFDXSHA-UHFFFAOYSA-N 1 2 312.329 2.334 20 5 DEBDLO COC(=O)C(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465171 1143128720 /nfs/dbraw/zinc/12/87/20/1143128720.db2.gz RUZWNDZHSZFVPN-UHFFFAOYSA-N 1 2 321.377 2.105 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(F)F)cc1[N+](=O)[O-] ZINC001340002045 1143227667 /nfs/dbraw/zinc/22/76/67/1143227667.db2.gz JFVSKSYYIIHAEZ-PSASIEDQSA-N 1 2 301.293 2.063 20 5 DEBDLO CCC(CC)([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC ZINC001254588635 1143269619 /nfs/dbraw/zinc/26/96/19/1143269619.db2.gz GTAKZWPCYGVCFN-ZDUSSCGKSA-N 1 2 306.362 2.383 20 5 DEBDLO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595720 1143272418 /nfs/dbraw/zinc/27/24/18/1143272418.db2.gz YRZFHPZTJCZJGL-CABCVRRESA-N 1 2 304.346 2.090 20 5 DEBDLO COC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595720 1143272432 /nfs/dbraw/zinc/27/24/32/1143272432.db2.gz YRZFHPZTJCZJGL-CABCVRRESA-N 1 2 304.346 2.090 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001342724725 1143832414 /nfs/dbraw/zinc/83/24/14/1143832414.db2.gz LJABPARMGJRBGF-UHFFFAOYSA-N 1 2 307.281 2.143 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1C ZINC001263923600 1144424803 /nfs/dbraw/zinc/42/48/03/1144424803.db2.gz GGKDHYWVBSYGAN-UHFFFAOYSA-N 1 2 320.374 2.023 20 5 DEBDLO CN(CCCNC(=O)c1csc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001302976330 1147318148 /nfs/dbraw/zinc/31/81/48/1147318148.db2.gz XHYQQHWJMUTJCQ-UHFFFAOYSA-N 1 2 320.374 2.308 20 5 DEBDLO C[C@H](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)n1cc[nH+]c1 ZINC001326447698 1148102574 /nfs/dbraw/zinc/10/25/74/1148102574.db2.gz XFSKSLHVDJDAEW-LLVKDONJSA-N 1 2 300.318 2.285 20 5 DEBDLO COc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000272873029 210262675 /nfs/dbraw/zinc/26/26/75/210262675.db2.gz VGIHHWOPHYRIOQ-JTQLQIEISA-N 1 2 319.321 2.010 20 5 DEBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nncn2CC)cc1[N+](=O)[O-] ZINC000152950452 282158217 /nfs/dbraw/zinc/15/82/17/282158217.db2.gz KSGLUQIXCILZQR-LLVKDONJSA-N 1 2 319.365 2.456 20 5 DEBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nncn2CC)cc1[N+](=O)[O-] ZINC000152950376 282158345 /nfs/dbraw/zinc/15/83/45/282158345.db2.gz KSGLUQIXCILZQR-NSHDSACASA-N 1 2 319.365 2.456 20 5 DEBDLO Cc1nc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273530008 282187649 /nfs/dbraw/zinc/18/76/49/282187649.db2.gz ULGCPBFSLJFKPI-UHFFFAOYSA-N 1 2 317.324 2.159 20 5 DEBDLO Cc1noc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595464943 358455858 /nfs/dbraw/zinc/45/58/58/358455858.db2.gz JXIGHDKTDFOZSR-GZMMTYOYSA-N 1 2 323.271 2.026 20 5 DEBDLO Cc1noc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595464943 358455860 /nfs/dbraw/zinc/45/58/60/358455860.db2.gz JXIGHDKTDFOZSR-GZMMTYOYSA-N 1 2 323.271 2.026 20 5 DEBDLO Cc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000140824086 186028323 /nfs/dbraw/zinc/02/83/23/186028323.db2.gz FWKPZYPNXNNORY-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO Cc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000140824086 186028325 /nfs/dbraw/zinc/02/83/25/186028325.db2.gz FWKPZYPNXNNORY-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])s1 ZINC000152756918 186099362 /nfs/dbraw/zinc/09/93/62/186099362.db2.gz OUSSMPOOJWSHOD-JTQLQIEISA-N 1 2 318.358 2.060 20 5 DEBDLO CCOC1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000297428318 282818832 /nfs/dbraw/zinc/81/88/32/282818832.db2.gz MZVXDVZNRPAKDA-UHFFFAOYSA-N 1 2 316.361 2.216 20 5 DEBDLO CN(C)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000046884358 354295131 /nfs/dbraw/zinc/29/51/31/354295131.db2.gz JBHKCCJSHBJUOJ-UHFFFAOYSA-N 1 2 315.333 2.378 20 5 DEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000067652911 354772314 /nfs/dbraw/zinc/77/23/14/354772314.db2.gz BZXLRSJYZPIBHS-GFCCVEGCSA-N 1 2 311.407 2.489 20 5 DEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000067652911 354772317 /nfs/dbraw/zinc/77/23/17/354772317.db2.gz BZXLRSJYZPIBHS-GFCCVEGCSA-N 1 2 311.407 2.489 20 5 DEBDLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072723661 354916484 /nfs/dbraw/zinc/91/64/84/354916484.db2.gz JSEMQQPNDBSUIR-GFCCVEGCSA-N 1 2 321.377 2.159 20 5 DEBDLO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000075334827 283061224 /nfs/dbraw/zinc/06/12/24/283061224.db2.gz JSEPHOPJWVEJHG-LBPRGKRZSA-N 1 2 321.377 2.104 20 5 DEBDLO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000075334827 283061227 /nfs/dbraw/zinc/06/12/27/283061227.db2.gz JSEPHOPJWVEJHG-LBPRGKRZSA-N 1 2 321.377 2.104 20 5 DEBDLO O=C(NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000073970715 354996233 /nfs/dbraw/zinc/99/62/33/354996233.db2.gz WJIMDTADJKMFHN-UHFFFAOYSA-N 1 2 320.736 2.485 20 5 DEBDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000184202722 356187812 /nfs/dbraw/zinc/18/78/12/356187812.db2.gz DTVAJDGLPLBOGC-SECBINFHSA-N 1 2 320.374 2.309 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000589187250 357452126 /nfs/dbraw/zinc/45/21/26/357452126.db2.gz ZLVQFDIKQHNVDJ-NGTOWPRWSA-N 1 2 318.373 2.488 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000589187250 357452130 /nfs/dbraw/zinc/45/21/30/357452130.db2.gz ZLVQFDIKQHNVDJ-NGTOWPRWSA-N 1 2 318.373 2.488 20 5 DEBDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000590656256 357573636 /nfs/dbraw/zinc/57/36/36/357573636.db2.gz ZZVATJUQYBRHKN-AWEZNQCLSA-N 1 2 318.377 2.178 20 5 DEBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000590758680 357603812 /nfs/dbraw/zinc/60/38/12/357603812.db2.gz JPEWJIUECRXCPB-CQSZACIVSA-N 1 2 321.402 2.361 20 5 DEBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000590758680 357603813 /nfs/dbraw/zinc/60/38/13/357603813.db2.gz JPEWJIUECRXCPB-CQSZACIVSA-N 1 2 321.402 2.361 20 5 DEBDLO CO[C@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000276770839 213098759 /nfs/dbraw/zinc/09/87/59/213098759.db2.gz OJBRZXFCTXCACR-RISCZKNCSA-N 1 2 304.350 2.042 20 5 DEBDLO CO[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000276770840 213099415 /nfs/dbraw/zinc/09/94/15/213099415.db2.gz OJBRZXFCTXCACR-SMDDNHRTSA-N 1 2 304.350 2.042 20 5 DEBDLO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594419241 358264294 /nfs/dbraw/zinc/26/42/94/358264294.db2.gz PWVWHLHVPXXQHQ-QWHCGFSZSA-N 1 2 319.361 2.047 20 5 DEBDLO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594419241 358264298 /nfs/dbraw/zinc/26/42/98/358264298.db2.gz PWVWHLHVPXXQHQ-QWHCGFSZSA-N 1 2 319.361 2.047 20 5 DEBDLO Cc1noc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000595291681 358413759 /nfs/dbraw/zinc/41/37/59/358413759.db2.gz QIZJYZISOMIPAI-UHFFFAOYSA-N 1 2 320.324 2.353 20 5 DEBDLO Cc1noc(C[N@@H+](C)CCN(C)c2ccccc2)c1[N+](=O)[O-] ZINC000595310569 358419814 /nfs/dbraw/zinc/41/98/14/358419814.db2.gz FRUZWUDERKBTRF-UHFFFAOYSA-N 1 2 304.350 2.459 20 5 DEBDLO Cc1noc(C[N@H+](C)CCN(C)c2ccccc2)c1[N+](=O)[O-] ZINC000595310569 358419815 /nfs/dbraw/zinc/41/98/15/358419815.db2.gz FRUZWUDERKBTRF-UHFFFAOYSA-N 1 2 304.350 2.459 20 5 DEBDLO Cc1noc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000595327341 358422648 /nfs/dbraw/zinc/42/26/48/358422648.db2.gz QFJFSZPHWIBSGH-ZDUSSCGKSA-N 1 2 305.334 2.447 20 5 DEBDLO Cc1noc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000595327341 358422652 /nfs/dbraw/zinc/42/26/52/358422652.db2.gz QFJFSZPHWIBSGH-ZDUSSCGKSA-N 1 2 305.334 2.447 20 5 DEBDLO COc1cc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000596209676 358640558 /nfs/dbraw/zinc/64/05/58/358640558.db2.gz BBJNZRCJMAYPQU-UHFFFAOYSA-N 1 2 321.377 2.189 20 5 DEBDLO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1CCC[NH3+] ZINC000595972422 358588589 /nfs/dbraw/zinc/58/85/89/358588589.db2.gz BNSTVMRJUBHXAD-DGCLKSJQSA-N 1 2 321.377 2.280 20 5 DEBDLO C[C@H]1C[N@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596426500 358683758 /nfs/dbraw/zinc/68/37/58/358683758.db2.gz BBHRXVSDAQWRCK-UWVGGRQHSA-N 1 2 315.320 2.394 20 5 DEBDLO C[C@H]1C[N@@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596426500 358683763 /nfs/dbraw/zinc/68/37/63/358683763.db2.gz BBHRXVSDAQWRCK-UWVGGRQHSA-N 1 2 315.320 2.394 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000596426499 358684111 /nfs/dbraw/zinc/68/41/11/358684111.db2.gz BBHRXVSDAQWRCK-NXEZZACHSA-N 1 2 315.320 2.394 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000596426499 358684112 /nfs/dbraw/zinc/68/41/12/358684112.db2.gz BBHRXVSDAQWRCK-NXEZZACHSA-N 1 2 315.320 2.394 20 5 DEBDLO COc1ccc[nH+]c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599074948 359398072 /nfs/dbraw/zinc/39/80/72/359398072.db2.gz WNMPCXQHQJEYHT-UHFFFAOYSA-N 1 2 303.322 2.036 20 5 DEBDLO Cc1nn(C)c(N(C)CCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000599092362 359401671 /nfs/dbraw/zinc/40/16/71/359401671.db2.gz PBMAAKWTOSXQNH-UHFFFAOYSA-N 1 2 314.349 2.192 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000602826586 360575057 /nfs/dbraw/zinc/57/50/57/360575057.db2.gz CBRVOPLTPGAQDQ-CYBMUJFWSA-N 1 2 304.354 2.050 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000602826586 360575059 /nfs/dbraw/zinc/57/50/59/360575059.db2.gz CBRVOPLTPGAQDQ-CYBMUJFWSA-N 1 2 304.354 2.050 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CC1 ZINC000190853099 200594669 /nfs/dbraw/zinc/59/46/69/200594669.db2.gz VFDWAESGJICMGK-VHSXEESVSA-N 1 2 302.338 2.328 20 5 DEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000603811247 360860610 /nfs/dbraw/zinc/86/06/10/360860610.db2.gz QWOPRDBPEYECCK-UHFFFAOYSA-N 1 2 311.301 2.371 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610762790 361461856 /nfs/dbraw/zinc/46/18/56/361461856.db2.gz VTAHHOBPCNYUBN-WDMOLILDSA-N 1 2 319.361 2.415 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610762790 361461860 /nfs/dbraw/zinc/46/18/60/361461860.db2.gz VTAHHOBPCNYUBN-WDMOLILDSA-N 1 2 319.361 2.415 20 5 DEBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610712624 361451044 /nfs/dbraw/zinc/45/10/44/361451044.db2.gz CKADAIPBJJGSLX-LBPRGKRZSA-N 1 2 318.308 2.408 20 5 DEBDLO CC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)O ZINC000450788592 242221666 /nfs/dbraw/zinc/22/16/66/242221666.db2.gz CHXAFNGXBPRHJD-BXUZGUMPSA-N 1 2 316.361 2.353 20 5 DEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C(F)(F)F ZINC000275070544 212105083 /nfs/dbraw/zinc/10/50/83/212105083.db2.gz VVZMZYJVJNYOKZ-LLVKDONJSA-N 1 2 310.247 2.479 20 5 DEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C(F)(F)F ZINC000275070544 212105081 /nfs/dbraw/zinc/10/50/81/212105081.db2.gz VVZMZYJVJNYOKZ-LLVKDONJSA-N 1 2 310.247 2.479 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000412032616 296144071 /nfs/dbraw/zinc/14/40/71/296144071.db2.gz DOKOVIFLNHQDDL-BDAKNGLRSA-N 1 2 321.362 2.124 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292397754 296240477 /nfs/dbraw/zinc/24/04/77/296240477.db2.gz YNGZNPNVUUTGGT-NWDGAFQWSA-N 1 2 312.391 2.022 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292397754 296240480 /nfs/dbraw/zinc/24/04/80/296240480.db2.gz YNGZNPNVUUTGGT-NWDGAFQWSA-N 1 2 312.391 2.022 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000492406321 249058253 /nfs/dbraw/zinc/05/82/53/249058253.db2.gz GUWJQYRTQPOPHX-CMDGGOBGSA-N 1 2 300.318 2.487 20 5 DEBDLO Cn1cc[nH+]c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273946503 211199100 /nfs/dbraw/zinc/19/91/00/211199100.db2.gz LKCSUBQYOIFFOH-UHFFFAOYSA-N 1 2 320.324 2.061 20 5 DEBDLO C[C@@H](C(=O)N1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000332661328 533222401 /nfs/dbraw/zinc/22/24/01/533222401.db2.gz XDDNBHPMGFYBHK-SNVBAGLBSA-N 1 2 318.308 2.076 20 5 DEBDLO CCOc1cccc(NCC[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000359711276 133140422 /nfs/dbraw/zinc/14/04/22/133140422.db2.gz ZASQZWRPVOVGAT-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CCOc1cccc(NCC[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000359711276 133140423 /nfs/dbraw/zinc/14/04/23/133140423.db2.gz ZASQZWRPVOVGAT-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC[C@@H]1C[N@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000362666069 133244244 /nfs/dbraw/zinc/24/42/44/133244244.db2.gz FDNBWMGSAIUKFC-LLVKDONJSA-N 1 2 314.773 2.166 20 5 DEBDLO CC[C@@H]1C[N@@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000362666069 133244245 /nfs/dbraw/zinc/24/42/45/133244245.db2.gz FDNBWMGSAIUKFC-LLVKDONJSA-N 1 2 314.773 2.166 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372751087 133364703 /nfs/dbraw/zinc/36/47/03/133364703.db2.gz OKBPDWCWYOIOFU-MJVIPROJSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372751087 133364704 /nfs/dbraw/zinc/36/47/04/133364704.db2.gz OKBPDWCWYOIOFU-MJVIPROJSA-N 1 2 323.780 2.334 20 5 DEBDLO Cc1cc(=O)n(Cc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000188079146 145006476 /nfs/dbraw/zinc/00/64/76/145006476.db2.gz WAEFUNSMCSRSQU-UHFFFAOYSA-N 1 2 310.313 2.299 20 5 DEBDLO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000190312962 145040273 /nfs/dbraw/zinc/04/02/73/145040273.db2.gz CDAVQUSVDSZEKA-NSHDSACASA-N 1 2 314.411 2.210 20 5 DEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)O1 ZINC000252465833 145199293 /nfs/dbraw/zinc/19/92/93/145199293.db2.gz PNOHLKTUEGJMKG-CJNGLKHVSA-N 1 2 316.361 2.253 20 5 DEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)O1 ZINC000252465833 145199294 /nfs/dbraw/zinc/19/92/94/145199294.db2.gz PNOHLKTUEGJMKG-CJNGLKHVSA-N 1 2 316.361 2.253 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000348333672 146256953 /nfs/dbraw/zinc/25/69/53/146256953.db2.gz OEFQXMPUZCTQPZ-UHFFFAOYSA-N 1 2 301.302 2.237 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000349241418 146361960 /nfs/dbraw/zinc/36/19/60/146361960.db2.gz KYNFADJIJMCUIF-VHSXEESVSA-N 1 2 304.306 2.261 20 5 DEBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000358914818 147229545 /nfs/dbraw/zinc/22/95/45/147229545.db2.gz LDUZPAWRVLWQTA-UHFFFAOYSA-N 1 2 318.381 2.289 20 5 DEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c[nH+]c[nH]1 ZINC000359132090 147268147 /nfs/dbraw/zinc/26/81/47/147268147.db2.gz NFMPTQHUHCBCKF-QMMMGPOBSA-N 1 2 324.724 2.055 20 5 DEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c[nH]c[nH+]1 ZINC000359132090 147268148 /nfs/dbraw/zinc/26/81/48/147268148.db2.gz NFMPTQHUHCBCKF-QMMMGPOBSA-N 1 2 324.724 2.055 20 5 DEBDLO CSc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1[N+](=O)[O-] ZINC000359489195 147336358 /nfs/dbraw/zinc/33/63/58/147336358.db2.gz ZVTDSKUCIIIEQK-UHFFFAOYSA-N 1 2 306.347 2.278 20 5 DEBDLO O=c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)occ1O ZINC000130214497 401822722 /nfs/dbraw/zinc/82/27/22/401822722.db2.gz COEUAPBHJTZNEK-UHFFFAOYSA-N 1 2 316.313 2.418 20 5 DEBDLO O=c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)occ1O ZINC000130214497 401822723 /nfs/dbraw/zinc/82/27/23/401822723.db2.gz COEUAPBHJTZNEK-UHFFFAOYSA-N 1 2 316.313 2.418 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCn1cc[nH+]c1 ZINC000117742030 401882825 /nfs/dbraw/zinc/88/28/25/401882825.db2.gz XTRQTBGZGOPRJX-UHFFFAOYSA-N 1 2 322.752 2.194 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135560876 401945012 /nfs/dbraw/zinc/94/50/12/401945012.db2.gz LHWIKIQLLRSYKO-KBPBESRZSA-N 1 2 312.366 2.440 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135560876 401945013 /nfs/dbraw/zinc/94/50/13/401945013.db2.gz LHWIKIQLLRSYKO-KBPBESRZSA-N 1 2 312.366 2.440 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068478071 402199282 /nfs/dbraw/zinc/19/92/82/402199282.db2.gz DIIWIRLAOVFFQX-NEPJUHHUSA-N 1 2 321.377 2.421 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068478071 402199284 /nfs/dbraw/zinc/19/92/84/402199284.db2.gz DIIWIRLAOVFFQX-NEPJUHHUSA-N 1 2 321.377 2.421 20 5 DEBDLO COc1cccc(NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185098651 402324260 /nfs/dbraw/zinc/32/42/60/402324260.db2.gz YWPIAHBZOXYECK-UHFFFAOYSA-N 1 2 309.366 2.126 20 5 DEBDLO COCC1=CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185807422 402378948 /nfs/dbraw/zinc/37/89/48/402378948.db2.gz COJQDLILGVYSOE-UHFFFAOYSA-N 1 2 319.361 2.120 20 5 DEBDLO COCC1=CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185807422 402378950 /nfs/dbraw/zinc/37/89/50/402378950.db2.gz COJQDLILGVYSOE-UHFFFAOYSA-N 1 2 319.361 2.120 20 5 DEBDLO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000186277809 402417387 /nfs/dbraw/zinc/41/73/87/402417387.db2.gz YAARCFNEOVZYIK-UHFFFAOYSA-N 1 2 321.377 2.104 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000170768273 402522621 /nfs/dbraw/zinc/52/26/21/402522621.db2.gz NFPCSIGTTLANDR-YPMHNXCESA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000170768273 402522623 /nfs/dbraw/zinc/52/26/23/402522623.db2.gz NFPCSIGTTLANDR-YPMHNXCESA-N 1 2 321.377 2.341 20 5 DEBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178678319 402525398 /nfs/dbraw/zinc/52/53/98/402525398.db2.gz BVERIQCYNPOKHE-UHFFFAOYSA-N 1 2 319.321 2.002 20 5 DEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191737632 402689288 /nfs/dbraw/zinc/68/92/88/402689288.db2.gz MRXNHSJHGFRBML-LBPRGKRZSA-N 1 2 321.377 2.137 20 5 DEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191737632 402689291 /nfs/dbraw/zinc/68/92/91/402689291.db2.gz MRXNHSJHGFRBML-LBPRGKRZSA-N 1 2 321.377 2.137 20 5 DEBDLO CC(C)(CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000265496121 402924703 /nfs/dbraw/zinc/92/47/03/402924703.db2.gz HDBVQRPYEHRHNB-UHFFFAOYSA-N 1 2 314.773 2.166 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCn1cc[nH+]c1 ZINC000281921647 403104676 /nfs/dbraw/zinc/10/46/76/403104676.db2.gz JULGYEPKBXKAKI-UHFFFAOYSA-N 1 2 319.321 2.012 20 5 DEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(F)cn3)CC2)c1 ZINC000276388092 403169884 /nfs/dbraw/zinc/16/98/84/403169884.db2.gz RJAPFMAZHPGVBV-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO CC[N@H+](CCS(C)(=O)=O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269902504 403174380 /nfs/dbraw/zinc/17/43/80/403174380.db2.gz JMHWBJJHECPOIE-NSHDSACASA-N 1 2 300.380 2.022 20 5 DEBDLO CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269902504 403174382 /nfs/dbraw/zinc/17/43/82/403174382.db2.gz JMHWBJJHECPOIE-NSHDSACASA-N 1 2 300.380 2.022 20 5 DEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285780520 403378799 /nfs/dbraw/zinc/37/87/99/403378799.db2.gz DXHWAJXJFNNXHL-TZMCWYRMSA-N 1 2 323.368 2.029 20 5 DEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](c2ccccc2)C1 ZINC000298859881 403475210 /nfs/dbraw/zinc/47/52/10/403475210.db2.gz RPCPXTMYXKJHCH-CQSZACIVSA-N 1 2 314.345 2.052 20 5 DEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](c2ccccc2)C1 ZINC000298859881 403475213 /nfs/dbraw/zinc/47/52/13/403475213.db2.gz RPCPXTMYXKJHCH-CQSZACIVSA-N 1 2 314.345 2.052 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286321114 403499388 /nfs/dbraw/zinc/49/93/88/403499388.db2.gz KXHXEPWBXDJKKG-KBPBESRZSA-N 1 2 305.378 2.203 20 5 DEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2CC2CC2)cc1[N+](=O)[O-] ZINC000343691014 403694538 /nfs/dbraw/zinc/69/45/38/403694538.db2.gz NRORRIRDINWUJX-LLVKDONJSA-N 1 2 316.365 2.151 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000347286932 403649974 /nfs/dbraw/zinc/64/99/74/403649974.db2.gz PFHUOTKDNDBLJS-HYLKFUCISA-N 1 2 306.362 2.080 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000347286932 403649978 /nfs/dbraw/zinc/64/99/78/403649978.db2.gz PFHUOTKDNDBLJS-HYLKFUCISA-N 1 2 306.362 2.080 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccn1 ZINC000295120231 403765748 /nfs/dbraw/zinc/76/57/48/403765748.db2.gz IRKMFBXTAKOOHQ-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccn1 ZINC000295120231 403765755 /nfs/dbraw/zinc/76/57/55/403765755.db2.gz IRKMFBXTAKOOHQ-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO COC(=O)c1ccc(OCc2c[nH+]ccc2OC)c([N+](=O)[O-])c1 ZINC000343830211 403749856 /nfs/dbraw/zinc/74/98/56/403749856.db2.gz ADPLHUDIHLETNA-UHFFFAOYSA-N 1 2 318.285 2.364 20 5 DEBDLO CC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000347937960 403964352 /nfs/dbraw/zinc/96/43/52/403964352.db2.gz AFBWOGMECWOKAK-NSHDSACASA-N 1 2 317.349 2.387 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000337414155 404006935 /nfs/dbraw/zinc/00/69/35/404006935.db2.gz OQJFSJTVVXHSCT-NSHDSACASA-N 1 2 304.350 2.496 20 5 DEBDLO CSc1cccc(C(=O)NCc2[nH]c[nH+]c2C)c1[N+](=O)[O-] ZINC000362932149 404011479 /nfs/dbraw/zinc/01/14/79/404011479.db2.gz UTZDOKKSPKANBF-UHFFFAOYSA-N 1 2 306.347 2.278 20 5 DEBDLO CCN(CCOC)c1cccc(Cn2cc([N+](=O)[O-])c(C)n2)[nH+]1 ZINC000352228332 404231218 /nfs/dbraw/zinc/23/12/18/404231218.db2.gz XIOUEUYRHGHZOK-UHFFFAOYSA-N 1 2 319.365 2.016 20 5 DEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364296111 404336213 /nfs/dbraw/zinc/33/62/13/404336213.db2.gz TUWXEUMRQKJUPJ-HIFRSBDPSA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364296111 404336218 /nfs/dbraw/zinc/33/62/18/404336218.db2.gz TUWXEUMRQKJUPJ-HIFRSBDPSA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000364292851 404336288 /nfs/dbraw/zinc/33/62/88/404336288.db2.gz QOEGTHZGENFDLI-CABCVRRESA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000364292851 404336290 /nfs/dbraw/zinc/33/62/90/404336290.db2.gz QOEGTHZGENFDLI-CABCVRRESA-N 1 2 304.346 2.165 20 5 DEBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000352408629 404350086 /nfs/dbraw/zinc/35/00/86/404350086.db2.gz ZIKYESZKHGMHEV-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000352408629 404350091 /nfs/dbraw/zinc/35/00/91/404350091.db2.gz ZIKYESZKHGMHEV-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000338352732 404364895 /nfs/dbraw/zinc/36/48/95/404364895.db2.gz ZMSSIFRCZNTXBB-HUBLWGQQSA-N 1 2 322.361 2.227 20 5 DEBDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000338352732 404364902 /nfs/dbraw/zinc/36/49/02/404364902.db2.gz ZMSSIFRCZNTXBB-HUBLWGQQSA-N 1 2 322.361 2.227 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000342165428 404413497 /nfs/dbraw/zinc/41/34/97/404413497.db2.gz MKJBBNKJZVRKHW-UHFFFAOYSA-N 1 2 305.338 2.066 20 5 DEBDLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414487766 404651979 /nfs/dbraw/zinc/65/19/79/404651979.db2.gz KZTRFEILTVULGT-BXUZGUMPSA-N 1 2 306.362 2.457 20 5 DEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000351613503 404671145 /nfs/dbraw/zinc/67/11/45/404671145.db2.gz APZSBIQFIQPLQE-UHFFFAOYSA-N 1 2 317.349 2.058 20 5 DEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000351613503 404671149 /nfs/dbraw/zinc/67/11/49/404671149.db2.gz APZSBIQFIQPLQE-UHFFFAOYSA-N 1 2 317.349 2.058 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000352990667 404713527 /nfs/dbraw/zinc/71/35/27/404713527.db2.gz SHKDNFPZSKSDHK-HUBLWGQQSA-N 1 2 324.402 2.083 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000352990667 404713532 /nfs/dbraw/zinc/71/35/32/404713532.db2.gz SHKDNFPZSKSDHK-HUBLWGQQSA-N 1 2 324.402 2.083 20 5 DEBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000353433479 404829608 /nfs/dbraw/zinc/82/96/08/404829608.db2.gz GLFBDTOHFFSWRR-CABCVRRESA-N 1 2 316.361 2.186 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000378481812 404978296 /nfs/dbraw/zinc/97/82/96/404978296.db2.gz BPEJZYWICPZPNJ-KBPBESRZSA-N 1 2 302.334 2.188 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000378481812 404978301 /nfs/dbraw/zinc/97/83/01/404978301.db2.gz BPEJZYWICPZPNJ-KBPBESRZSA-N 1 2 302.334 2.188 20 5 DEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1 ZINC000367637131 405110262 /nfs/dbraw/zinc/11/02/62/405110262.db2.gz WPZXDGMVIFHPIZ-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC000436871870 405156216 /nfs/dbraw/zinc/15/62/16/405156216.db2.gz LMNOMLIYWSYKDD-AWEZNQCLSA-N 1 2 323.393 2.397 20 5 DEBDLO Cc1c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000440706406 405323560 /nfs/dbraw/zinc/32/35/60/405323560.db2.gz SUEXLFSFRSJAJX-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000421435674 405503446 /nfs/dbraw/zinc/50/34/46/405503446.db2.gz RWZIKUSDXIVILO-UHFFFAOYSA-N 1 2 302.334 2.217 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491753841 406702852 /nfs/dbraw/zinc/70/28/52/406702852.db2.gz WPQYQABOAYXIJE-HWKANZROSA-N 1 2 304.281 2.129 20 5 DEBDLO COc1cc[nH+]cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000131384558 196163818 /nfs/dbraw/zinc/16/38/18/196163818.db2.gz FJSCMTFXIGFOLE-UHFFFAOYSA-N 1 2 303.274 2.016 20 5 DEBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000191534059 225111682 /nfs/dbraw/zinc/11/16/82/225111682.db2.gz ORWDCUIRXRFZBR-UHFFFAOYSA-N 1 2 310.313 2.299 20 5 DEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301175166 229545469 /nfs/dbraw/zinc/54/54/69/229545469.db2.gz WAJGAJOITULFJN-UHFFFAOYSA-N 1 2 310.317 2.491 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)nc1 ZINC000354593199 275041230 /nfs/dbraw/zinc/04/12/30/275041230.db2.gz ZJMUCOXKSWFDHG-UHFFFAOYSA-N 1 2 322.328 2.133 20 5 DEBDLO CC(C)OCC[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000288475266 277680366 /nfs/dbraw/zinc/68/03/66/277680366.db2.gz QQNLSEUCLFLOID-UHFFFAOYSA-N 1 2 311.357 2.281 20 5 DEBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1n1cc[nH+]c1 ZINC000126436966 278541479 /nfs/dbraw/zinc/54/14/79/278541479.db2.gz MGKOEQAQGUESAS-GHMZBOCLSA-N 1 2 304.306 2.108 20 5 DEBDLO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000113438385 288198163 /nfs/dbraw/zinc/19/81/63/288198163.db2.gz JHUUPJUPSLUSEQ-ZDUSSCGKSA-N 1 2 321.377 2.295 20 5 DEBDLO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000113438385 288198165 /nfs/dbraw/zinc/19/81/65/288198165.db2.gz JHUUPJUPSLUSEQ-ZDUSSCGKSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@]1(F)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000347360496 280162470 /nfs/dbraw/zinc/16/24/70/280162470.db2.gz UWRSRZZKIVTJKX-HIFRSBDPSA-N 1 2 307.325 2.134 20 5 DEBDLO C[C@]1(F)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000347360496 280162471 /nfs/dbraw/zinc/16/24/71/280162471.db2.gz UWRSRZZKIVTJKX-HIFRSBDPSA-N 1 2 307.325 2.134 20 5 DEBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000366355322 280162778 /nfs/dbraw/zinc/16/27/78/280162778.db2.gz PBMIRMPGJSTIIL-UHFFFAOYSA-N 1 2 306.709 2.101 20 5 DEBDLO O=c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)occ1O ZINC000135229491 282065359 /nfs/dbraw/zinc/06/53/59/282065359.db2.gz JANVYIUDFBFJJH-UHFFFAOYSA-N 1 2 316.313 2.418 20 5 DEBDLO O=c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)occ1O ZINC000135229491 282065361 /nfs/dbraw/zinc/06/53/61/282065361.db2.gz JANVYIUDFBFJJH-UHFFFAOYSA-N 1 2 316.313 2.418 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])o2)CC1(C)C ZINC000296463313 294437027 /nfs/dbraw/zinc/43/70/27/294437027.db2.gz ZZXUGQOXRGDHKG-LLVKDONJSA-N 1 2 304.306 2.145 20 5 DEBDLO C[C@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000578017269 341971685 /nfs/dbraw/zinc/97/16/85/341971685.db2.gz XCOOKXHTTYJOSY-CYBMUJFWSA-N 1 2 316.361 2.444 20 5 DEBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296607310 533944152 /nfs/dbraw/zinc/94/41/52/533944152.db2.gz WBZDUFRUKUCWBN-QMMMGPOBSA-N 1 2 302.338 2.023 20 5 DEBDLO CCC(CC)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000338370036 521474694 /nfs/dbraw/zinc/47/46/94/521474694.db2.gz YQDJVLKLHWYTIR-UHFFFAOYSA-N 1 2 310.350 2.295 20 5 DEBDLO COc1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000337174848 525014791 /nfs/dbraw/zinc/01/47/91/525014791.db2.gz ICGMRMGXBJGILW-UHFFFAOYSA-N 1 2 314.345 2.260 20 5 DEBDLO COc1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000337174848 525014803 /nfs/dbraw/zinc/01/48/03/525014803.db2.gz ICGMRMGXBJGILW-UHFFFAOYSA-N 1 2 314.345 2.260 20 5 DEBDLO CC(C)OCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813392 527979060 /nfs/dbraw/zinc/97/90/60/527979060.db2.gz RLASNMGJGXYJPL-UHFFFAOYSA-N 1 2 323.393 2.264 20 5 DEBDLO CC[C@@H]([NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000192851273 529162448 /nfs/dbraw/zinc/16/24/48/529162448.db2.gz UYWUMAQFKMPGCK-GFCCVEGCSA-N 1 2 309.366 2.246 20 5 DEBDLO COc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456394715 536524317 /nfs/dbraw/zinc/52/43/17/536524317.db2.gz SBLWJRFZOVINOQ-ONGXEEELSA-N 1 2 316.317 2.236 20 5 DEBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)c2nonc21 ZINC000841125203 636417339 /nfs/dbraw/zinc/41/73/39/636417339.db2.gz FDFNBXBFUSGULX-UHFFFAOYSA-N 1 2 300.278 2.050 20 5 DEBDLO Nc1cc(COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000840656456 650343875 /nfs/dbraw/zinc/34/38/75/650343875.db2.gz LRLKPDMVHAFPRO-UONOGXRCSA-N 1 2 313.313 2.419 20 5 DEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000895802739 638206292 /nfs/dbraw/zinc/20/62/92/638206292.db2.gz XBQPBLYTRZJPQF-LLVKDONJSA-N 1 2 314.773 2.166 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2nonc21 ZINC000728567198 639256097 /nfs/dbraw/zinc/25/60/97/639256097.db2.gz NIFWUJBKLGMCCX-SNVBAGLBSA-N 1 2 314.305 2.169 20 5 DEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728562213 639258510 /nfs/dbraw/zinc/25/85/10/639258510.db2.gz ILMAGFHQFIIAIQ-LBPRGKRZSA-N 1 2 315.329 2.023 20 5 DEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728562213 639258514 /nfs/dbraw/zinc/25/85/14/639258514.db2.gz ILMAGFHQFIIAIQ-LBPRGKRZSA-N 1 2 315.329 2.023 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000754683537 639460688 /nfs/dbraw/zinc/46/06/88/639460688.db2.gz HHVMCCPUPDZUIO-UHFFFAOYSA-N 1 2 300.274 2.167 20 5 DEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc2[nH+]ccn21 ZINC000759997929 640149940 /nfs/dbraw/zinc/14/99/40/640149940.db2.gz JLMOFLBMPCYITP-UHFFFAOYSA-N 1 2 310.313 2.215 20 5 DEBDLO CCOC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000767877798 641027769 /nfs/dbraw/zinc/02/77/69/641027769.db2.gz XBCLTNZWUFKGCT-OAHLLOKOSA-N 1 2 322.361 2.046 20 5 DEBDLO CCOC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000767877798 641027775 /nfs/dbraw/zinc/02/77/75/641027775.db2.gz XBCLTNZWUFKGCT-OAHLLOKOSA-N 1 2 322.361 2.046 20 5 DEBDLO CC[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000842095617 650648429 /nfs/dbraw/zinc/64/84/29/650648429.db2.gz VJAVCYOCIUTVSP-GFCCVEGCSA-N 1 2 319.317 2.362 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)cc1F ZINC000801546838 641559214 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CCc1nn(C)cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000775698908 642081711 /nfs/dbraw/zinc/08/17/11/642081711.db2.gz UAXBNEVWTWTUDB-UHFFFAOYSA-N 1 2 300.362 2.449 20 5 DEBDLO O=C(Cc1c[nH+]c[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000901136683 642575522 /nfs/dbraw/zinc/57/55/22/642575522.db2.gz ZUKSXPNSXVWVBB-UHFFFAOYSA-N 1 2 300.318 2.052 20 5 DEBDLO O=C(CCOc1cccc([N+](=O)[O-])c1)OCCCn1cc[nH+]c1 ZINC000782807647 642925688 /nfs/dbraw/zinc/92/56/88/642925688.db2.gz YMNWZGOCBAZJLA-UHFFFAOYSA-N 1 2 319.317 2.194 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905732673 644025132 /nfs/dbraw/zinc/02/51/32/644025132.db2.gz AYEJYMLFPPIIGG-NSHDSACASA-N 1 2 307.379 2.160 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905732673 644025133 /nfs/dbraw/zinc/02/51/33/644025133.db2.gz AYEJYMLFPPIIGG-NSHDSACASA-N 1 2 307.379 2.160 20 5 DEBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCn1cc[nH+]c1 ZINC000906130686 644149795 /nfs/dbraw/zinc/14/97/95/644149795.db2.gz 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2.117 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000347361528 403679769 /nfs/dbraw/zinc/67/97/69/403679769.db2.gz PBQRZCVKFGVDTQ-INDWDQIESA-N 1 2 324.402 2.117 20 5 DEBDLO Cc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000354548676 403870868 /nfs/dbraw/zinc/87/08/68/403870868.db2.gz XTLNFPHEGBLQPC-UHFFFAOYSA-N 1 2 312.289 2.064 20 5 DEBDLO O=C(CCn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000341343992 403920151 /nfs/dbraw/zinc/92/01/51/403920151.db2.gz JXLIEQVYBJHJQM-UHFFFAOYSA-N 1 2 308.725 2.151 20 5 DEBDLO CC(C)(CCc1nc(Cc2cn3ccccc3[nH+]2)no1)[N+](=O)[O-] ZINC000296084015 404085370 /nfs/dbraw/zinc/08/53/70/404085370.db2.gz SSSZVYWRNWESDP-UHFFFAOYSA-N 1 2 315.333 2.296 20 5 DEBDLO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1COC1 ZINC000296159229 404120911 /nfs/dbraw/zinc/12/09/11/404120911.db2.gz WLJOUDRSWCLEHG-UHFFFAOYSA-N 1 2 308.334 2.071 20 5 DEBDLO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1COC1 ZINC000296159229 404120915 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COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000370348351 404388202 /nfs/dbraw/zinc/38/82/02/404388202.db2.gz KNIRTLXXWDFLSU-DZGCQCFKSA-N 1 2 322.361 2.056 20 5 DEBDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000370348351 404388206 /nfs/dbraw/zinc/38/82/06/404388206.db2.gz KNIRTLXXWDFLSU-DZGCQCFKSA-N 1 2 322.361 2.056 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)[nH]1 ZINC000352565733 404460299 /nfs/dbraw/zinc/46/02/99/404460299.db2.gz YFOMFZOZSJYLQU-UHFFFAOYSA-N 1 2 301.350 2.265 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)[nH]1 ZINC000352565733 404460305 /nfs/dbraw/zinc/46/03/05/404460305.db2.gz YFOMFZOZSJYLQU-UHFFFAOYSA-N 1 2 301.350 2.265 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000373707794 404566071 /nfs/dbraw/zinc/56/60/71/404566071.db2.gz LXVGNMOCLOZHBX-ZBFHGGJFSA-N 1 2 318.373 2.473 20 5 DEBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000373707794 404566074 /nfs/dbraw/zinc/56/60/74/404566074.db2.gz LXVGNMOCLOZHBX-ZBFHGGJFSA-N 1 2 318.373 2.473 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000367300343 405003427 /nfs/dbraw/zinc/00/34/27/405003427.db2.gz TTWBSUZMCXDBRO-LSDHHAIUSA-N 1 2 310.325 2.114 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000367300343 405003429 /nfs/dbraw/zinc/00/34/29/405003429.db2.gz TTWBSUZMCXDBRO-LSDHHAIUSA-N 1 2 310.325 2.114 20 5 DEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000439473361 405280911 /nfs/dbraw/zinc/28/09/11/405280911.db2.gz LIEVYHUUVZTNRS-AWEZNQCLSA-N 1 2 321.377 2.343 20 5 DEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000439473361 405280914 /nfs/dbraw/zinc/28/09/14/405280914.db2.gz LIEVYHUUVZTNRS-AWEZNQCLSA-N 1 2 321.377 2.343 20 5 DEBDLO CCOC(=O)c1ccnc(N[C@H](CC)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000439652394 405287993 /nfs/dbraw/zinc/28/79/93/405287993.db2.gz WTSLEAUUNBEEIJ-SNVBAGLBSA-N 1 2 319.321 2.453 20 5 DEBDLO Cc1c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000440706404 405323527 /nfs/dbraw/zinc/32/35/27/405323527.db2.gz SUEXLFSFRSJAJX-LLVKDONJSA-N 1 2 300.318 2.301 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000426087739 405338600 /nfs/dbraw/zinc/33/86/00/405338600.db2.gz XWVYDAZFDRJNBK-VIFPVBQESA-N 1 2 319.296 2.067 20 5 DEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2ncsc2C1 ZINC000445869203 405359437 /nfs/dbraw/zinc/35/94/37/405359437.db2.gz OBQIXSWDWNCEAW-UHFFFAOYSA-N 1 2 305.359 2.488 20 5 DEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2ncsc2C1 ZINC000445869203 405359441 /nfs/dbraw/zinc/35/94/41/405359441.db2.gz OBQIXSWDWNCEAW-UHFFFAOYSA-N 1 2 305.359 2.488 20 5 DEBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449563185 405615116 /nfs/dbraw/zinc/61/51/16/405615116.db2.gz SIANEZMHDWCDIG-SNVBAGLBSA-N 1 2 320.349 2.376 20 5 DEBDLO CCOc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000530669190 405843623 /nfs/dbraw/zinc/84/36/23/405843623.db2.gz DONJFMRDWCFRGZ-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CCOc1cc(NCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000530669190 405843631 /nfs/dbraw/zinc/84/36/31/405843631.db2.gz DONJFMRDWCFRGZ-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000547793033 406447552 /nfs/dbraw/zinc/44/75/52/406447552.db2.gz SLJSGFXFJOTLOW-UHFFFAOYSA-N 1 2 321.377 2.247 20 5 DEBDLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000553003954 406731412 /nfs/dbraw/zinc/73/14/12/406731412.db2.gz CMQDRZZXXIMSPG-AAEUAGOBSA-N 1 2 314.345 2.231 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000295877087 225338834 /nfs/dbraw/zinc/33/88/34/225338834.db2.gz FQEAVKKUNJTVMX-BRWVUGGUSA-N 1 2 318.373 2.272 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000295877087 225338837 /nfs/dbraw/zinc/33/88/37/225338837.db2.gz FQEAVKKUNJTVMX-BRWVUGGUSA-N 1 2 318.373 2.272 20 5 DEBDLO C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000295197550 287519950 /nfs/dbraw/zinc/51/99/50/287519950.db2.gz VPLLEWITTPYXLH-CHWSQXEVSA-N 1 2 308.382 2.128 20 5 DEBDLO Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1[N+](=O)[O-] ZINC000600790970 422412223 /nfs/dbraw/zinc/41/22/23/422412223.db2.gz OFLHYXDTUNAXEW-UHFFFAOYSA-N 1 2 317.345 2.386 20 5 DEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H](O)C(F)(F)F ZINC000430213524 269126471 /nfs/dbraw/zinc/12/64/71/269126471.db2.gz UFYTXBDKXROJPH-GFCCVEGCSA-N 1 2 322.283 2.349 20 5 DEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H](O)C(F)(F)F ZINC000430213524 269126473 /nfs/dbraw/zinc/12/64/73/269126473.db2.gz UFYTXBDKXROJPH-GFCCVEGCSA-N 1 2 322.283 2.349 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000522275580 269460246 /nfs/dbraw/zinc/46/02/46/269460246.db2.gz QAAKHLKDQIVIQG-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000522275580 269460248 /nfs/dbraw/zinc/46/02/48/269460248.db2.gz QAAKHLKDQIVIQG-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ncn(C)n1 ZINC000278856395 278272857 /nfs/dbraw/zinc/27/28/57/278272857.db2.gz WBBBTNWBLSTFMF-IINYFYTJSA-N 1 2 301.350 2.452 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459779282 278362219 /nfs/dbraw/zinc/36/22/19/278362219.db2.gz FNJIWFAEOURASO-MNOVXSKESA-N 1 2 317.349 2.006 20 5 DEBDLO CC(=O)c1ccc(NC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000413549911 527315785 /nfs/dbraw/zinc/31/57/85/527315785.db2.gz SSYKFXLYBJHXSZ-UHFFFAOYSA-N 1 2 321.377 2.320 20 5 DEBDLO CC(C)n1cc[nH+]c1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000299634894 528609234 /nfs/dbraw/zinc/60/92/34/528609234.db2.gz UIMDDCWEOAIKFX-UHFFFAOYSA-N 1 2 314.143 2.380 20 5 DEBDLO CC1(F)CC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452274969 535175196 /nfs/dbraw/zinc/17/51/96/535175196.db2.gz HGQKWOPUZBWQKP-UHFFFAOYSA-N 1 2 318.308 2.401 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000456389009 536114594 /nfs/dbraw/zinc/11/45/94/536114594.db2.gz NZCMHZBDXYLTKI-LLVKDONJSA-N 1 2 317.349 2.101 20 5 DEBDLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000933291131 624151985 /nfs/dbraw/zinc/15/19/85/624151985.db2.gz XYYPMDASVDNFRL-ZDUSSCGKSA-N 1 2 309.341 2.128 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)OCCc2c[nH+]cn2C)c1F ZINC000837662685 650242685 /nfs/dbraw/zinc/24/26/85/650242685.db2.gz QKUKYRFIMZYRRS-UHFFFAOYSA-N 1 2 307.281 2.175 20 5 DEBDLO COCCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000103333880 637806838 /nfs/dbraw/zinc/80/68/38/637806838.db2.gz PDHDBYUNIKLTDN-UHFFFAOYSA-N 1 2 319.317 2.364 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1cccc(OC)c1[N+](=O)[O-])C2 ZINC000896659792 638622558 /nfs/dbraw/zinc/62/25/58/638622558.db2.gz GMLYEIZNWKBNFA-UHFFFAOYSA-N 1 2 302.334 2.383 20 5 DEBDLO C[N@H+](CC(F)F)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000749287143 638631955 /nfs/dbraw/zinc/63/19/55/638631955.db2.gz COEAPMYPUTZOCI-UHFFFAOYSA-N 1 2 300.309 2.156 20 5 DEBDLO C[N@@H+](CC(F)F)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000749287143 638631957 /nfs/dbraw/zinc/63/19/57/638631957.db2.gz COEAPMYPUTZOCI-UHFFFAOYSA-N 1 2 300.309 2.156 20 5 DEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1c[nH+]cn1C ZINC000755702903 639577974 /nfs/dbraw/zinc/57/79/74/639577974.db2.gz IVVHCZFRUIOYRE-YRNVUSSQSA-N 1 2 301.302 2.475 20 5 DEBDLO Cc1cc(F)cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000758416161 639957709 /nfs/dbraw/zinc/95/77/09/639957709.db2.gz NSDOPFHPYCZPLS-JTQLQIEISA-N 1 2 306.297 2.057 20 5 DEBDLO Nc1ccc(CCC(=O)OCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000759814773 640121395 /nfs/dbraw/zinc/12/13/95/640121395.db2.gz MJQIMDWXOZEMHV-UHFFFAOYSA-N 1 2 301.302 2.248 20 5 DEBDLO Cc1sc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000898899788 641838318 /nfs/dbraw/zinc/83/83/18/641838318.db2.gz PJPZWEHKBBZWLG-UHFFFAOYSA-N 1 2 308.363 2.326 20 5 DEBDLO C/C(=C/C(=O)Nc1cccc([N+](=O)[O-])c1C)C[NH+]1CCOCC1 ZINC000899936263 642216117 /nfs/dbraw/zinc/21/61/17/642216117.db2.gz RNQOXLAHFCDJFS-BENRWUELSA-N 1 2 319.361 2.120 20 5 DEBDLO COC(=O)[C@H]1CCCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781343640 642741963 /nfs/dbraw/zinc/74/19/63/642741963.db2.gz DFNGVWYWQGDFID-CABCVRRESA-N 1 2 322.361 2.046 20 5 DEBDLO COC(=O)[C@H]1CCCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781343640 642741965 /nfs/dbraw/zinc/74/19/65/642741965.db2.gz DFNGVWYWQGDFID-CABCVRRESA-N 1 2 322.361 2.046 20 5 DEBDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000785727234 643268919 /nfs/dbraw/zinc/26/89/19/643268919.db2.gz FWZAHOSGPKMLSQ-RYUDHWBXSA-N 1 2 320.345 2.194 20 5 DEBDLO Cc1nn(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000793749737 644297138 /nfs/dbraw/zinc/29/71/38/644297138.db2.gz VLWKNLZTPSQBNJ-AWEZNQCLSA-N 1 2 308.382 2.114 20 5 DEBDLO Cc1nn(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000793749737 644297143 /nfs/dbraw/zinc/29/71/43/644297143.db2.gz VLWKNLZTPSQBNJ-AWEZNQCLSA-N 1 2 308.382 2.114 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)OCc2cc[nH+]c(N)c2)c1F ZINC000803460206 645656461 /nfs/dbraw/zinc/65/64/61/645656461.db2.gz DCJIVMUIZYKCPL-UHFFFAOYSA-N 1 2 305.265 2.377 20 5 DEBDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000817375848 647280816 /nfs/dbraw/zinc/28/08/16/647280816.db2.gz SUJZEIHYHXUXHX-VXGBXAGGSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000817375848 647280822 /nfs/dbraw/zinc/28/08/22/647280822.db2.gz SUJZEIHYHXUXHX-VXGBXAGGSA-N 1 2 324.381 2.049 20 5 DEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000920767199 648254430 /nfs/dbraw/zinc/25/44/30/648254430.db2.gz BINRVXTUTMGKKI-NSHDSACASA-N 1 2 306.322 2.229 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC000847656144 651408735 /nfs/dbraw/zinc/40/87/35/651408735.db2.gz DFCAXWGFYJDIRZ-LLVKDONJSA-N 1 2 314.345 2.394 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC000847656144 651408737 /nfs/dbraw/zinc/40/87/37/651408737.db2.gz DFCAXWGFYJDIRZ-LLVKDONJSA-N 1 2 314.345 2.394 20 5 DEBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCSCC2)c1 ZINC000848476226 651461395 /nfs/dbraw/zinc/46/13/95/651461395.db2.gz ZIAZXFDLGRLZHB-UHFFFAOYSA-N 1 2 304.375 2.465 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857946605 652215621 /nfs/dbraw/zinc/21/56/21/652215621.db2.gz YQHQLWZTPAGEOO-SNVBAGLBSA-N 1 2 320.736 2.190 20 5 DEBDLO O=C1OCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000852722879 652444284 /nfs/dbraw/zinc/44/42/84/652444284.db2.gz KCYBKLPABCPJFV-UHFFFAOYSA-N 1 2 323.324 2.151 20 5 DEBDLO CCC[NH+](CCC)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000132420999 684208852 /nfs/dbraw/zinc/20/88/52/684208852.db2.gz SATLGTXKZGLRSV-UHFFFAOYSA-N 1 2 320.349 2.491 20 5 DEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859477122 685738315 /nfs/dbraw/zinc/73/83/15/685738315.db2.gz IPMQSJIPCLOFJI-MRXNPFEDSA-N 1 2 300.314 2.350 20 5 DEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859477122 685738317 /nfs/dbraw/zinc/73/83/17/685738317.db2.gz IPMQSJIPCLOFJI-MRXNPFEDSA-N 1 2 300.314 2.350 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864445121 686722047 /nfs/dbraw/zinc/72/20/47/686722047.db2.gz NSMQUAOFNSPZCC-ONEGZZNKSA-N 1 2 319.361 2.039 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035812 688917247 /nfs/dbraw/zinc/91/72/47/688917247.db2.gz ZBCCAIZZQNOGRV-QWHCGFSZSA-N 1 2 324.400 2.020 20 5 DEBDLO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000877972989 690275044 /nfs/dbraw/zinc/27/50/44/690275044.db2.gz RHBZQCZVHCSJSK-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000877972989 690275047 /nfs/dbraw/zinc/27/50/47/690275047.db2.gz RHBZQCZVHCSJSK-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](CF)C1 ZINC000881676438 691141337 /nfs/dbraw/zinc/14/13/37/691141337.db2.gz HLBXPZPRNFVQRI-NSHDSACASA-N 1 2 318.308 2.212 20 5 DEBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886049547 691992853 /nfs/dbraw/zinc/99/28/53/691992853.db2.gz ONRMZOZNVHORTC-UHFFFAOYSA-N 1 2 315.329 2.408 20 5 DEBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886049547 691992854 /nfs/dbraw/zinc/99/28/54/691992854.db2.gz ONRMZOZNVHORTC-UHFFFAOYSA-N 1 2 315.329 2.408 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cs1 ZINC000886797310 692194316 /nfs/dbraw/zinc/19/43/16/692194316.db2.gz RICVBHYCQAHANK-SNVBAGLBSA-N 1 2 310.297 2.403 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cs1 ZINC000886797310 692194320 /nfs/dbraw/zinc/19/43/20/692194320.db2.gz RICVBHYCQAHANK-SNVBAGLBSA-N 1 2 310.297 2.403 20 5 DEBDLO Cc1nc(N2CCc3cc[nH+]c(N(C)C)c3C2)ccc1[N+](=O)[O-] ZINC001354362316 1151889395 /nfs/dbraw/zinc/88/93/95/1151889395.db2.gz QLDOTGKYKUBWSL-UHFFFAOYSA-N 1 2 313.361 2.322 20 5 DEBDLO CCOC(=O)c1ccc(NCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001167616337 777392923 /nfs/dbraw/zinc/39/29/23/777392923.db2.gz GWXWZEPXNZWYEZ-UHFFFAOYSA-N 1 2 316.317 2.361 20 5 DEBDLO C[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001333540895 1150062497 /nfs/dbraw/zinc/06/24/97/1150062497.db2.gz NADUWRSRLWCCIV-NWDGAFQWSA-N 1 2 302.334 2.272 20 5 DEBDLO COC(=O)C1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896903 793522089 /nfs/dbraw/zinc/52/20/89/793522089.db2.gz UENMTQLVCOPLCQ-CYBMUJFWSA-N 1 2 304.346 2.137 20 5 DEBDLO Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(N)c1[N+](=O)[O-] ZINC001179879892 795197732 /nfs/dbraw/zinc/19/77/32/795197732.db2.gz UNHDCTGHKVTERP-SNVBAGLBSA-N 1 2 303.322 2.272 20 5 DEBDLO Cc1cn(C[N@H+](C)CCCF)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001119397201 795297799 /nfs/dbraw/zinc/29/77/99/795297799.db2.gz ROFIQMZZMLHEEW-UHFFFAOYSA-N 1 2 322.340 2.105 20 5 DEBDLO Cc1cn(C[N@@H+](C)CCCF)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001119397201 795297803 /nfs/dbraw/zinc/29/78/03/795297803.db2.gz ROFIQMZZMLHEEW-UHFFFAOYSA-N 1 2 322.340 2.105 20 5 DEBDLO Cn1ncc([N+](=O)[O-])c1NCCn1c[nH+]cc1-c1ccccc1 ZINC001187190628 796497414 /nfs/dbraw/zinc/49/74/14/796497414.db2.gz SHBBJHIXEFOHLM-UHFFFAOYSA-N 1 2 312.333 2.304 20 5 DEBDLO COc1nc(N(C(N)=[NH2+])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001157226868 798166818 /nfs/dbraw/zinc/16/68/18/798166818.db2.gz VOJIKGYPXIQBEL-UHFFFAOYSA-N 1 2 305.269 2.169 20 5 DEBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc([N+](=O)[O-])cc2N)c1 ZINC001162130934 799016182 /nfs/dbraw/zinc/01/61/82/799016182.db2.gz NUCJPLPMVRQWDI-UHFFFAOYSA-N 1 2 317.349 2.365 20 5 DEBDLO COC(=O)c1c(OC2C[NH+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001229045815 801213618 /nfs/dbraw/zinc/21/36/18/801213618.db2.gz OFESZIGQEUBZMR-UHFFFAOYSA-N 1 2 308.334 2.243 20 5 DEBDLO C[N@@H+]1CCO[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001231620785 801696590 /nfs/dbraw/zinc/69/65/90/801696590.db2.gz INKQKTXTLFLVHK-LYYDLTQRSA-N 1 2 317.389 2.013 20 5 DEBDLO C[N@H+]1CCO[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001231620785 801696594 /nfs/dbraw/zinc/69/65/94/801696594.db2.gz INKQKTXTLFLVHK-LYYDLTQRSA-N 1 2 317.389 2.013 20 5 DEBDLO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218233317 802157840 /nfs/dbraw/zinc/15/78/40/802157840.db2.gz ZPZYYCKKHNRGIO-MRVPVSSYSA-N 1 2 323.093 2.343 20 5 DEBDLO C[N@@H+]1CCC[C@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228859095 803422160 /nfs/dbraw/zinc/42/21/60/803422160.db2.gz IMZXAMVDGPDWEA-ZETCQYMHSA-N 1 2 321.255 2.187 20 5 DEBDLO C[N@H+]1CCC[C@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228859095 803422165 /nfs/dbraw/zinc/42/21/65/803422165.db2.gz IMZXAMVDGPDWEA-ZETCQYMHSA-N 1 2 321.255 2.187 20 5 DEBDLO COc1c(C(=O)OCC(C)(C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC001344107742 1150797089 /nfs/dbraw/zinc/79/70/89/1150797089.db2.gz DUEXQQGQEUHJTQ-UHFFFAOYSA-N 1 2 319.317 2.392 20 5 DEBDLO O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001525528514 1070150339 /nfs/dbraw/zinc/15/03/39/1070150339.db2.gz LIXFOXKTFPQUJA-UHFFFAOYSA-N 1 2 309.285 2.428 20 5 DEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001458616450 1058074777 /nfs/dbraw/zinc/07/47/77/1058074777.db2.gz WSRSXZLFLNXZOO-LLVKDONJSA-N 1 2 324.337 2.026 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001468064210 1059734441 /nfs/dbraw/zinc/73/44/41/1059734441.db2.gz HZOJNKZMWVIEBL-VXGBXAGGSA-N 1 2 317.349 2.240 20 5 DEBDLO C[C@](CO)([NH2+]Cc1ccc(Cl)nn1)c1cccc([N+](=O)[O-])c1 ZINC001620495307 1078164191 /nfs/dbraw/zinc/16/41/91/1078164191.db2.gz KZDSUVLYGDZZJW-CQSZACIVSA-N 1 2 322.752 2.036 20 5 DEBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC001629326917 1078315006 /nfs/dbraw/zinc/31/50/06/1078315006.db2.gz DQDAYQJQWUQVNC-UHFFFAOYSA-N 1 2 322.752 2.263 20 5 DEBDLO COc1ccc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC001636012643 1078464411 /nfs/dbraw/zinc/46/44/11/1078464411.db2.gz LWKYRVJFXIPEBX-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO COc1ccc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC001636012643 1078464415 /nfs/dbraw/zinc/46/44/15/1078464415.db2.gz LWKYRVJFXIPEBX-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc(C)[nH+]1 ZINC001643076205 1078782110 /nfs/dbraw/zinc/78/21/10/1078782110.db2.gz NNSQHDHZCOUPGG-UHFFFAOYSA-N 1 2 300.318 2.119 20 5 DEBDLO C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001256712874 1143863812 /nfs/dbraw/zinc/86/38/12/1143863812.db2.gz WBULITFHEKWEQA-LBPRGKRZSA-N 1 2 302.334 2.053 20 5 DEBDLO Cc1cc(-c2ccc([N+](=O)[O-])cc2)n(CC[NH+]2CCOCC2)n1 ZINC001261891166 1144280349 /nfs/dbraw/zinc/28/03/49/1144280349.db2.gz ZUBCEXFHNOFQEE-UHFFFAOYSA-N 1 2 316.361 2.099 20 5 DEBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308598276 1147480299 /nfs/dbraw/zinc/48/02/99/1147480299.db2.gz JKNXAZCATMMSPC-HNNXBMFYSA-N 1 2 305.378 2.312 20 5 DEBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308598276 1147480307 /nfs/dbraw/zinc/48/03/07/1147480307.db2.gz JKNXAZCATMMSPC-HNNXBMFYSA-N 1 2 305.378 2.312 20 5 DEBDLO CSCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152229907 282138047 /nfs/dbraw/zinc/13/80/47/282138047.db2.gz HFVFKIOBPODGFU-UHFFFAOYSA-N 1 2 320.374 2.216 20 5 DEBDLO O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000193391389 282349324 /nfs/dbraw/zinc/34/93/24/282349324.db2.gz BFUKKVSARGAGPI-UHFFFAOYSA-N 1 2 310.313 2.101 20 5 DEBDLO COc1ccc(OCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000173478850 198219047 /nfs/dbraw/zinc/21/90/47/198219047.db2.gz QLHGQHANIYBSLD-NEPJUHHUSA-N 1 2 310.350 2.091 20 5 DEBDLO COc1ccc(OCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000173478850 198219049 /nfs/dbraw/zinc/21/90/49/198219049.db2.gz QLHGQHANIYBSLD-NEPJUHHUSA-N 1 2 310.350 2.091 20 5 DEBDLO C[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000054455488 282924954 /nfs/dbraw/zinc/92/49/54/282924954.db2.gz KJCWAZAFDSHSLW-UHFFFAOYSA-N 1 2 305.378 2.280 20 5 DEBDLO O=C(N[C@H]1C[C@H]1C(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345803677 540014019 /nfs/dbraw/zinc/01/40/19/540014019.db2.gz KSUWROVEHYWBDE-ZJUUUORDSA-N 1 2 322.271 2.164 20 5 DEBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000026197257 354080789 /nfs/dbraw/zinc/08/07/89/354080789.db2.gz CIJVTXZVNPCLDH-CHWSQXEVSA-N 1 2 321.377 2.057 20 5 DEBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000026197257 354080792 /nfs/dbraw/zinc/08/07/92/354080792.db2.gz CIJVTXZVNPCLDH-CHWSQXEVSA-N 1 2 321.377 2.057 20 5 DEBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000617883375 363297930 /nfs/dbraw/zinc/29/79/30/363297930.db2.gz FLUJWKGJMSFCBW-STPYVQMJSA-N 1 2 308.403 2.451 20 5 DEBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000617883375 363297937 /nfs/dbraw/zinc/29/79/37/363297937.db2.gz FLUJWKGJMSFCBW-STPYVQMJSA-N 1 2 308.403 2.451 20 5 DEBDLO COC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000118962126 355781552 /nfs/dbraw/zinc/78/15/52/355781552.db2.gz KTFILXFJUDPBLW-CYBMUJFWSA-N 1 2 310.350 2.151 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000592828570 357952160 /nfs/dbraw/zinc/95/21/60/357952160.db2.gz WCJKAVPEXDLHEY-UHFFFAOYSA-N 1 2 303.322 2.252 20 5 DEBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c[nH]cn3)CC2)cc1 ZINC000179909014 199093617 /nfs/dbraw/zinc/09/36/17/199093617.db2.gz CYOZADOOCGWPAC-UHFFFAOYSA-N 1 2 302.334 2.361 20 5 DEBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnc[nH]3)CC2)cc1 ZINC000179909014 199093619 /nfs/dbraw/zinc/09/36/19/199093619.db2.gz CYOZADOOCGWPAC-UHFFFAOYSA-N 1 2 302.334 2.361 20 5 DEBDLO C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000593736350 358133524 /nfs/dbraw/zinc/13/35/24/358133524.db2.gz GXHYPLSHAFHIQZ-SNVBAGLBSA-N 1 2 302.334 2.473 20 5 DEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000594714279 358323748 /nfs/dbraw/zinc/32/37/48/358323748.db2.gz LVWXSVUPYMCYGM-WFASDCNBSA-N 1 2 324.402 2.243 20 5 DEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000594714279 358323752 /nfs/dbraw/zinc/32/37/52/358323752.db2.gz LVWXSVUPYMCYGM-WFASDCNBSA-N 1 2 324.402 2.243 20 5 DEBDLO Cc1noc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1[N+](=O)[O-] ZINC000595329623 358423655 /nfs/dbraw/zinc/42/36/55/358423655.db2.gz HJVJTNUHQFPKFX-NSHDSACASA-N 1 2 305.334 2.274 20 5 DEBDLO Cc1noc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1[N+](=O)[O-] ZINC000595329623 358423657 /nfs/dbraw/zinc/42/36/57/358423657.db2.gz HJVJTNUHQFPKFX-NSHDSACASA-N 1 2 305.334 2.274 20 5 DEBDLO C[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596049870 358598012 /nfs/dbraw/zinc/59/80/12/358598012.db2.gz JJBARFYBEUIVHJ-UHFFFAOYSA-N 1 2 300.156 2.109 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596258212 358653887 /nfs/dbraw/zinc/65/38/87/358653887.db2.gz XLLGHYGCDHFGLB-SECBINFHSA-N 1 2 303.322 2.083 20 5 DEBDLO CC(=O)c1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596430674 358684723 /nfs/dbraw/zinc/68/47/23/358684723.db2.gz NAGABIQVVHRZSM-NWDGAFQWSA-N 1 2 321.377 2.319 20 5 DEBDLO CC(=O)c1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596430674 358684727 /nfs/dbraw/zinc/68/47/27/358684727.db2.gz NAGABIQVVHRZSM-NWDGAFQWSA-N 1 2 321.377 2.319 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000596434487 358686667 /nfs/dbraw/zinc/68/66/67/358686667.db2.gz YQNZCVHNFKDTBG-NWDGAFQWSA-N 1 2 309.366 2.125 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000596434487 358686670 /nfs/dbraw/zinc/68/66/70/358686670.db2.gz YQNZCVHNFKDTBG-NWDGAFQWSA-N 1 2 309.366 2.125 20 5 DEBDLO COC(=O)Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000596542209 358709057 /nfs/dbraw/zinc/70/90/57/358709057.db2.gz KYRLNTFHXIFAJG-JTQLQIEISA-N 1 2 318.333 2.217 20 5 DEBDLO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 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DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(Cl)n1C ZINC000281567073 216389155 /nfs/dbraw/zinc/38/91/55/216389155.db2.gz CIHSDPIAVPVCBU-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1c[nH+]c2n1CCCC2 ZINC000452336888 244156891 /nfs/dbraw/zinc/15/68/91/244156891.db2.gz XKRCCNDLFFRBDW-UHFFFAOYSA-N 1 2 318.308 2.448 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456441707 247196738 /nfs/dbraw/zinc/19/67/38/247196738.db2.gz ZKPNZJKVRSEBHE-TVQRCGJNSA-N 1 2 318.308 2.295 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)s1 ZINC000273942478 211193991 /nfs/dbraw/zinc/19/39/91/211193991.db2.gz SCRWIPHIVDMOTJ-SECBINFHSA-N 1 2 322.346 2.242 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)s1 ZINC000273942478 211193986 /nfs/dbraw/zinc/19/39/86/211193986.db2.gz SCRWIPHIVDMOTJ-SECBINFHSA-N 1 2 322.346 2.242 20 5 DEBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340585459 132037321 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COc1cc([N+](=O)[O-])cnc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167989937 779207250 /nfs/dbraw/zinc/20/72/50/779207250.db2.gz JUQKLKMDWCKQCX-UHFFFAOYSA-N 1 2 305.269 2.169 20 5 DEBDLO COC(=O)[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345200 786930050 /nfs/dbraw/zinc/93/00/50/786930050.db2.gz HWFMVBVSEIJEDL-WDEREUQCSA-N 1 2 310.350 2.028 20 5 DEBDLO COC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345200 786930055 /nfs/dbraw/zinc/93/00/55/786930055.db2.gz HWFMVBVSEIJEDL-WDEREUQCSA-N 1 2 310.350 2.028 20 5 DEBDLO C[N@@H+]1CC[C@@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000712591969 792192760 /nfs/dbraw/zinc/19/27/60/792192760.db2.gz ORUSZUDANRJCGS-MRVPVSSYSA-N 1 2 300.156 2.473 20 5 DEBDLO C[N@H+]1CC[C@@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000712591969 792192765 /nfs/dbraw/zinc/19/27/65/792192765.db2.gz ORUSZUDANRJCGS-MRVPVSSYSA-N 1 2 300.156 2.473 20 5 DEBDLO CC(C)OC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897359 793521950 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DEBDLO Cc1cc2[nH]c(O[C@@H]3CC[NH2+]CC3(F)F)nc2cc1[N+](=O)[O-] ZINC001218006193 802130337 /nfs/dbraw/zinc/13/03/37/802130337.db2.gz JGQKKRCHWYLDAV-LLVKDONJSA-N 1 2 312.276 2.156 20 5 DEBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233835885 802220604 /nfs/dbraw/zinc/22/06/04/802220604.db2.gz FUYNVVUSXGTGDQ-LBPRGKRZSA-N 1 2 317.345 2.243 20 5 DEBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233835884 802220923 /nfs/dbraw/zinc/22/09/23/802220923.db2.gz FUYNVVUSXGTGDQ-GFCCVEGCSA-N 1 2 317.345 2.243 20 5 DEBDLO O=[N+]([O-])c1c(O)cccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225624810 802992610 /nfs/dbraw/zinc/99/26/10/802992610.db2.gz DXQTUBRXFUCQKE-BETUJISGSA-N 1 2 322.361 2.323 20 5 DEBDLO C[N@@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226198439 803070075 /nfs/dbraw/zinc/07/00/75/803070075.db2.gz MDLBMRZSPLYEOV-MRVPVSSYSA-N 1 2 304.705 2.097 20 5 DEBDLO C[N@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226198439 803070083 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20 5 DEBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC001635850875 1078460582 /nfs/dbraw/zinc/46/05/82/1078460582.db2.gz UAJPWPQOZPRSEJ-UHFFFAOYSA-N 1 2 318.308 2.266 20 5 DEBDLO COc1ccc(OC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001579230524 1067265731 /nfs/dbraw/zinc/26/57/31/1067265731.db2.gz PJAQRXYKXVXPHL-INIZCTEOSA-N 1 2 316.313 2.383 20 5 DEBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(Oc2cc[nH+]cc2)C1 ZINC001585065549 1076336356 /nfs/dbraw/zinc/33/63/56/1076336356.db2.gz BHVUIIIVEPLXCH-UHFFFAOYSA-N 1 2 317.276 2.032 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001654073274 1079950613 /nfs/dbraw/zinc/95/06/13/1079950613.db2.gz GMNUVUODAZWFNH-SECBINFHSA-N 1 2 322.369 2.131 20 5 DEBDLO [NH3+][C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccccc1 ZINC001247650741 1141400844 /nfs/dbraw/zinc/40/08/44/1141400844.db2.gz LUNGZLBITVKVCN-LLVKDONJSA-N 1 2 315.264 2.227 20 5 DEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001254569083 1143253919 /nfs/dbraw/zinc/25/39/19/1143253919.db2.gz HPKNCSNLFYAERN-ZDUSSCGKSA-N 1 2 317.389 2.270 20 5 DEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001254569083 1143253956 /nfs/dbraw/zinc/25/39/56/1143253956.db2.gz HPKNCSNLFYAERN-ZDUSSCGKSA-N 1 2 317.389 2.270 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC001303973369 1147340328 /nfs/dbraw/zinc/34/03/28/1147340328.db2.gz RMFKDKLMJQKQPH-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC001303973369 1147340333 /nfs/dbraw/zinc/34/03/33/1147340333.db2.gz RMFKDKLMJQKQPH-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001307423146 1147426506 /nfs/dbraw/zinc/42/65/06/1147426506.db2.gz XSTOQPZFTVJQIR-GFCCVEGCSA-N 1 2 314.345 2.470 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001307423146 1147426508 /nfs/dbraw/zinc/42/65/08/1147426508.db2.gz XSTOQPZFTVJQIR-GFCCVEGCSA-N 1 2 314.345 2.470 20 5 DEBDLO CC(C)N(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153314960 282167471 /nfs/dbraw/zinc/16/74/71/282167471.db2.gz DJQLYYAKUPVTEG-UHFFFAOYSA-N 1 2 305.378 2.426 20 5 DEBDLO CC(C)N(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153314960 282167474 /nfs/dbraw/zinc/16/74/74/282167474.db2.gz DJQLYYAKUPVTEG-UHFFFAOYSA-N 1 2 305.378 2.426 20 5 DEBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615994535 362748808 /nfs/dbraw/zinc/74/88/08/362748808.db2.gz OEEFLDZHXUIMQO-CYBMUJFWSA-N 1 2 305.378 2.273 20 5 DEBDLO C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000595482031 358460896 /nfs/dbraw/zinc/46/08/96/358460896.db2.gz RGXXWUKGKNPLBI-JTQLQIEISA-N 1 2 303.322 2.221 20 5 DEBDLO C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000595482031 358460900 /nfs/dbraw/zinc/46/09/00/358460900.db2.gz RGXXWUKGKNPLBI-JTQLQIEISA-N 1 2 303.322 2.221 20 5 DEBDLO C[C@H]1C[NH+]=C(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)S1 ZINC000267244603 290932446 /nfs/dbraw/zinc/93/24/46/290932446.db2.gz SOJNQOZWMFSZHR-JTQLQIEISA-N 1 2 324.381 2.347 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@H]1C ZINC000173492254 198219885 /nfs/dbraw/zinc/21/98/85/198219885.db2.gz VDMIIXYCHFHVTE-LLVKDONJSA-N 1 2 309.391 2.279 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000173492254 198219887 /nfs/dbraw/zinc/21/98/87/198219887.db2.gz VDMIIXYCHFHVTE-LLVKDONJSA-N 1 2 309.391 2.279 20 5 DEBDLO COc1ccc(OCC[NH+]2[C@H](C)COC[C@H]2C)c([N+](=O)[O-])c1 ZINC000173790551 198252260 /nfs/dbraw/zinc/25/22/60/198252260.db2.gz DWXCGWOPFBEWHL-VXGBXAGGSA-N 1 2 310.350 2.091 20 5 DEBDLO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182062070 199381342 /nfs/dbraw/zinc/38/13/42/199381342.db2.gz GSZONMAPYAUTSY-LBPRGKRZSA-N 1 2 321.377 2.104 20 5 DEBDLO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182062070 199381344 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SFZKMSOYHQKAJS-UHFFFAOYSA-N 1 2 314.345 2.018 20 5 DEBDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000061511834 402108294 /nfs/dbraw/zinc/10/82/94/402108294.db2.gz ONENUHBHILPEMK-VOTSOKGWSA-N 1 2 300.318 2.000 20 5 DEBDLO Cc1conc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123601429 402136915 /nfs/dbraw/zinc/13/69/15/402136915.db2.gz LKCBPBUVUDJJEJ-UHFFFAOYSA-N 1 2 313.273 2.329 20 5 DEBDLO COC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000154330939 402206419 /nfs/dbraw/zinc/20/64/19/402206419.db2.gz OBAJHTUUFLLSNI-AWEZNQCLSA-N 1 2 322.361 2.094 20 5 DEBDLO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187326785 402493756 /nfs/dbraw/zinc/49/37/56/402493756.db2.gz PXXNKKWZEKGYCJ-GFCCVEGCSA-N 1 2 321.377 2.247 20 5 DEBDLO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187326785 402493757 /nfs/dbraw/zinc/49/37/57/402493757.db2.gz PXXNKKWZEKGYCJ-GFCCVEGCSA-N 1 2 321.377 2.247 20 5 DEBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000247360793 402564936 /nfs/dbraw/zinc/56/49/36/402564936.db2.gz ZKFLDTSSSYLGTI-UHFFFAOYSA-N 1 2 314.345 2.439 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](C)C1 ZINC000170773494 402523185 /nfs/dbraw/zinc/52/31/85/402523185.db2.gz KIJSFLSSTQEVKU-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@H](C)C1 ZINC000170773494 402523186 /nfs/dbraw/zinc/52/31/86/402523186.db2.gz KIJSFLSSTQEVKU-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO Cc1nccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000183778396 402797101 /nfs/dbraw/zinc/79/71/01/402797101.db2.gz NRZXQJWLAOVNKA-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ncnn1C ZINC000278652369 402869481 /nfs/dbraw/zinc/86/94/81/402869481.db2.gz IENARTUDCVQGBU-HZMBPMFUSA-N 1 2 301.350 2.452 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265864541 402957556 /nfs/dbraw/zinc/95/75/56/402957556.db2.gz ZXKNEJIGWSWSSZ-GFCCVEGCSA-N 1 2 316.361 2.274 20 5 DEBDLO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000272230386 402912388 /nfs/dbraw/zinc/91/23/88/402912388.db2.gz DPBARHUOBMRBKC-GFCCVEGCSA-N 1 2 324.768 2.147 20 5 DEBDLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000272230386 402912391 /nfs/dbraw/zinc/91/23/91/402912391.db2.gz DPBARHUOBMRBKC-GFCCVEGCSA-N 1 2 324.768 2.147 20 5 DEBDLO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000273662785 403023910 /nfs/dbraw/zinc/02/39/10/403023910.db2.gz WIIATDRJXOGXDA-LBPRGKRZSA-N 1 2 323.303 2.378 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000280209374 402975584 /nfs/dbraw/zinc/97/55/84/402975584.db2.gz IPGCHAQCIJUHTN-ABAIWWIYSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000280209374 402975587 /nfs/dbraw/zinc/97/55/87/402975587.db2.gz IPGCHAQCIJUHTN-ABAIWWIYSA-N 1 2 310.325 2.114 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274506181 403062027 /nfs/dbraw/zinc/06/20/27/403062027.db2.gz AOPOVLJSQBHNLD-SNVBAGLBSA-N 1 2 319.321 2.010 20 5 DEBDLO COc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000283125138 403173438 /nfs/dbraw/zinc/17/34/38/403173438.db2.gz WTLXUULHOIQOQR-ZDUSSCGKSA-N 1 2 318.333 2.454 20 5 DEBDLO COc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000283125135 403173461 /nfs/dbraw/zinc/17/34/61/403173461.db2.gz WTLXUULHOIQOQR-CYBMUJFWSA-N 1 2 318.333 2.454 20 5 DEBDLO COC(=O)c1cnoc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285642559 403346853 /nfs/dbraw/zinc/34/68/53/403346853.db2.gz OAJVBKBVXHGSME-SECBINFHSA-N 1 2 305.290 2.220 20 5 DEBDLO COC(=O)[C@H](C)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286068871 403442641 /nfs/dbraw/zinc/44/26/41/403442641.db2.gz SEEGUUHFGVCDMQ-MRVPVSSYSA-N 1 2 302.277 2.114 20 5 DEBDLO COC(=O)[C@H](C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286068871 403442645 /nfs/dbraw/zinc/44/26/45/403442645.db2.gz SEEGUUHFGVCDMQ-MRVPVSSYSA-N 1 2 302.277 2.114 20 5 DEBDLO Cn1cc[nH+]c1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000343302575 403532274 /nfs/dbraw/zinc/53/22/74/403532274.db2.gz RMMZYIJKTUYEOV-UHFFFAOYSA-N 1 2 316.342 2.473 20 5 DEBDLO O=C(CCc1[nH]cc[nH+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000287554498 403622232 /nfs/dbraw/zinc/62/22/32/403622232.db2.gz JFFKYHBDVYIFDV-UHFFFAOYSA-N 1 2 316.361 2.390 20 5 DEBDLO CC(C)(CCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1)[N+](=O)[O-] ZINC000294376802 403717536 /nfs/dbraw/zinc/71/75/36/403717536.db2.gz JKWGWZFWFNAIPA-UHFFFAOYSA-N 1 2 303.322 2.041 20 5 DEBDLO COCCOCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344102066 403910139 /nfs/dbraw/zinc/91/01/39/403910139.db2.gz DKTLDOMXMNBVNS-UHFFFAOYSA-N 1 2 302.758 2.343 20 5 DEBDLO COCCOCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344102066 403910147 /nfs/dbraw/zinc/91/01/47/403910147.db2.gz DKTLDOMXMNBVNS-UHFFFAOYSA-N 1 2 302.758 2.343 20 5 DEBDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000412090535 404126411 /nfs/dbraw/zinc/12/64/11/404126411.db2.gz QFUSHPCWCKSPEB-ZJUUUORDSA-N 1 2 300.305 2.466 20 5 DEBDLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000412090535 404126419 /nfs/dbraw/zinc/12/64/19/404126419.db2.gz QFUSHPCWCKSPEB-ZJUUUORDSA-N 1 2 300.305 2.466 20 5 DEBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000370348352 404388169 /nfs/dbraw/zinc/38/81/69/404388169.db2.gz KNIRTLXXWDFLSU-HIFRSBDPSA-N 1 2 322.361 2.056 20 5 DEBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000370348352 404388173 /nfs/dbraw/zinc/38/81/73/404388173.db2.gz KNIRTLXXWDFLSU-HIFRSBDPSA-N 1 2 322.361 2.056 20 5 DEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000365407704 404650215 /nfs/dbraw/zinc/65/02/15/404650215.db2.gz GGKUUIRUMWOZON-UHFFFAOYSA-N 1 2 314.345 2.400 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000365470312 404668922 /nfs/dbraw/zinc/66/89/22/404668922.db2.gz ZNFBDEHTQYRRCQ-GFCCVEGCSA-N 1 2 314.345 2.266 20 5 DEBDLO Cc1c(CN(C)CC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000434694037 404926770 /nfs/dbraw/zinc/92/67/70/404926770.db2.gz QASWNUQRRWRQKV-UHFFFAOYSA-N 1 2 321.421 2.446 20 5 DEBDLO Cc1c(CN(C)CC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000434694037 404926772 /nfs/dbraw/zinc/92/67/72/404926772.db2.gz QASWNUQRRWRQKV-UHFFFAOYSA-N 1 2 321.421 2.446 20 5 DEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000361212957 404977105 /nfs/dbraw/zinc/97/71/05/404977105.db2.gz XHWQSDQHRRSHNA-LBPRGKRZSA-N 1 2 302.334 2.203 20 5 DEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000361212957 404977111 /nfs/dbraw/zinc/97/71/11/404977111.db2.gz XHWQSDQHRRSHNA-LBPRGKRZSA-N 1 2 302.334 2.203 20 5 DEBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C[NH+]1CCCC1 ZINC000361399398 405055215 /nfs/dbraw/zinc/05/52/15/405055215.db2.gz FDQLXDURAJIVNZ-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](c4nnc[nH]4)C3)c2c1 ZINC000425281935 405268201 /nfs/dbraw/zinc/26/82/01/405268201.db2.gz JXZFCNQFAKRNQC-LLVKDONJSA-N 1 2 310.317 2.255 20 5 DEBDLO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000419906663 405271095 /nfs/dbraw/zinc/27/10/95/405271095.db2.gz CXCNSFGFIKWJPP-UHFFFAOYSA-N 1 2 321.377 2.343 20 5 DEBDLO C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000577700363 405495269 /nfs/dbraw/zinc/49/52/69/405495269.db2.gz UAQRUCACDZVVTE-ZWNOBZJWSA-N 1 2 315.333 2.297 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000421869943 405653793 /nfs/dbraw/zinc/65/37/93/405653793.db2.gz SETQFHKJSYIWNI-GFCCVEGCSA-N 1 2 314.345 2.153 20 5 DEBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000433176901 405887518 /nfs/dbraw/zinc/88/75/18/405887518.db2.gz SVQQZRWCTLZCGG-NSHDSACASA-N 1 2 316.785 2.466 20 5 DEBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000433176901 405887522 /nfs/dbraw/zinc/88/75/22/405887522.db2.gz SVQQZRWCTLZCGG-NSHDSACASA-N 1 2 316.785 2.466 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575400 406267056 /nfs/dbraw/zinc/26/70/56/406267056.db2.gz QOASAQVXOZJDRF-UHFFFAOYSA-N 1 2 301.302 2.289 20 5 DEBDLO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489429533 406404159 /nfs/dbraw/zinc/40/41/59/406404159.db2.gz NZXBYJHPXIXLMO-SMDDNHRTSA-N 1 2 312.341 2.360 20 5 DEBDLO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489429533 406404163 /nfs/dbraw/zinc/40/41/63/406404163.db2.gz NZXBYJHPXIXLMO-SMDDNHRTSA-N 1 2 312.341 2.360 20 5 DEBDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489473512 406410542 /nfs/dbraw/zinc/41/05/42/406410542.db2.gz QJOQMMOTQXQHOQ-JQWIXIFHSA-N 1 2 300.380 2.282 20 5 DEBDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489473512 406410543 /nfs/dbraw/zinc/41/05/43/406410543.db2.gz QJOQMMOTQXQHOQ-JQWIXIFHSA-N 1 2 300.380 2.282 20 5 DEBDLO Cc1c(Cl)cc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000570767997 406435885 /nfs/dbraw/zinc/43/58/85/406435885.db2.gz IRSYFWPKNMTPRX-UHFFFAOYSA-N 1 2 316.726 2.081 20 5 DEBDLO C[C@H]([NH2+]Cc1nc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000572598468 406700251 /nfs/dbraw/zinc/70/02/51/406700251.db2.gz LVADPPDDKHPTJG-JTQLQIEISA-N 1 2 301.350 2.452 20 5 DEBDLO CCn1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000296635746 226070994 /nfs/dbraw/zinc/07/09/94/226070994.db2.gz CCDHCXMEZTWCKE-UHFFFAOYSA-N 1 2 303.366 2.189 20 5 DEBDLO CCn1nc(C)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000296635746 226070999 /nfs/dbraw/zinc/07/09/99/226070999.db2.gz CCDHCXMEZTWCKE-UHFFFAOYSA-N 1 2 303.366 2.189 20 5 DEBDLO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000412046518 227602285 /nfs/dbraw/zinc/60/22/85/227602285.db2.gz UIODLVVDVUMYGT-VIFPVBQESA-N 1 2 321.362 2.126 20 5 DEBDLO CC[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420950676 424977022 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CC(C)C[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000190312977 275914975 /nfs/dbraw/zinc/91/49/75/275914975.db2.gz CDAVQUSVDSZEKA-LLVKDONJSA-N 1 2 314.411 2.210 20 5 DEBDLO Cc1nc(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273507689 279165155 /nfs/dbraw/zinc/16/51/55/279165155.db2.gz PMLYNNYJRRYMOW-UHFFFAOYSA-N 1 2 317.324 2.159 20 5 DEBDLO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(O)ccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000339192105 294038287 /nfs/dbraw/zinc/03/82/87/294038287.db2.gz KLUVPGDCARFQNI-VSGLDEAGSA-N 1 2 304.346 2.156 20 5 DEBDLO C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000575176563 326225227 /nfs/dbraw/zinc/22/52/27/326225227.db2.gz BHSMZSVRCVXSKU-AAEUAGOBSA-N 1 2 314.345 2.026 20 5 DEBDLO CC[C@H](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000387677926 333156621 /nfs/dbraw/zinc/15/66/21/333156621.db2.gz KJMCCTBEMUUGST-JTQLQIEISA-N 1 2 303.322 2.241 20 5 DEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000247737137 523468333 /nfs/dbraw/zinc/46/83/33/523468333.db2.gz VZAWJNJKDCZFJM-YWPYICTPSA-N 1 2 321.377 2.421 20 5 DEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000247737137 523468341 /nfs/dbraw/zinc/46/83/41/523468341.db2.gz VZAWJNJKDCZFJM-YWPYICTPSA-N 1 2 321.377 2.421 20 5 DEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000338256682 525851423 /nfs/dbraw/zinc/85/14/23/525851423.db2.gz XMCSWJSXSAHOLY-DGCLKSJQSA-N 1 2 321.377 2.199 20 5 DEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000338256682 525851428 /nfs/dbraw/zinc/85/14/28/525851428.db2.gz XMCSWJSXSAHOLY-DGCLKSJQSA-N 1 2 321.377 2.199 20 5 DEBDLO CNc1c(C(=O)Nc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000452337285 536419353 /nfs/dbraw/zinc/41/93/53/536419353.db2.gz ZGPPSRUKBPPEHI-UHFFFAOYSA-N 1 2 315.333 2.422 20 5 DEBDLO Cc1c(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000123909542 625644237 /nfs/dbraw/zinc/64/42/37/625644237.db2.gz PSKLTGQQEZHXTR-UHFFFAOYSA-N 1 2 314.407 2.158 20 5 DEBDLO Cc1c(C[N@H+](C)CC(C)(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000123909542 625644241 /nfs/dbraw/zinc/64/42/41/625644241.db2.gz PSKLTGQQEZHXTR-UHFFFAOYSA-N 1 2 314.407 2.158 20 5 DEBDLO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000891566696 624479148 /nfs/dbraw/zinc/47/91/48/624479148.db2.gz IUKSJMQDHOGVKM-RRFJBIMHSA-N 1 2 319.405 2.252 20 5 DEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nccn3C3CC3)CC2)n1 ZINC000894080170 636108378 /nfs/dbraw/zinc/10/83/78/636108378.db2.gz UEXVOKHQDKSABF-UHFFFAOYSA-N 1 2 316.365 2.160 20 5 DEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1nc(C[NH+](C)C)cs1 ZINC000895480943 638047952 /nfs/dbraw/zinc/04/79/52/638047952.db2.gz PIHFKJJRGMDQEL-UHFFFAOYSA-N 1 2 324.410 2.250 20 5 DEBDLO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH]c[nH+]c1C ZINC000755440927 639551478 /nfs/dbraw/zinc/55/14/78/639551478.db2.gz QCAYVNCXYVNJLS-JXMROGBWSA-N 1 2 300.318 2.346 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000839622516 639773342 /nfs/dbraw/zinc/77/33/42/639773342.db2.gz CUPOXYUOOWHROP-JKSUJKDBSA-N 1 2 306.362 2.129 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000839622516 639773347 /nfs/dbraw/zinc/77/33/47/639773347.db2.gz CUPOXYUOOWHROP-JKSUJKDBSA-N 1 2 306.362 2.129 20 5 DEBDLO C[C@H]1[C@@H](C)[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000841693005 650543024 /nfs/dbraw/zinc/54/30/24/650543024.db2.gz SZORGEJKHRKRJS-GMTAPVOTSA-N 1 2 317.345 2.125 20 5 DEBDLO C[C@H]1[C@@H](C)[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000841693005 650543027 /nfs/dbraw/zinc/54/30/27/650543027.db2.gz SZORGEJKHRKRJS-GMTAPVOTSA-N 1 2 317.345 2.125 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000897546953 640763896 /nfs/dbraw/zinc/76/38/96/640763896.db2.gz IJQAADHCIUOZME-UHFFFAOYSA-N 1 2 316.361 2.460 20 5 DEBDLO CN(C)c1cc(COC(=O)c2ccc([N+](=O)[O-])s2)cc[nH+]1 ZINC000767413520 640975102 /nfs/dbraw/zinc/97/51/02/640975102.db2.gz VUEWAGVGESXGNR-UHFFFAOYSA-N 1 2 307.331 2.474 20 5 DEBDLO O=C1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1 ZINC000769114011 641178435 /nfs/dbraw/zinc/17/84/35/641178435.db2.gz GVPLSYQPXZCUJX-UHFFFAOYSA-N 1 2 315.329 2.177 20 5 DEBDLO O=C1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1 ZINC000769114011 641178440 /nfs/dbraw/zinc/17/84/40/641178440.db2.gz GVPLSYQPXZCUJX-UHFFFAOYSA-N 1 2 315.329 2.177 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000770669926 641406103 /nfs/dbraw/zinc/40/61/03/641406103.db2.gz VUKAOGCIFDEJFY-UHFFFAOYSA-N 1 2 301.350 2.099 20 5 DEBDLO CCOC(=O)C[N@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579142 642187683 /nfs/dbraw/zinc/18/76/83/642187683.db2.gz KJDHUFYFZCMCNB-HNNXBMFYSA-N 1 2 324.377 2.149 20 5 DEBDLO CCOC(=O)C[N@@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579142 642187685 /nfs/dbraw/zinc/18/76/85/642187685.db2.gz KJDHUFYFZCMCNB-HNNXBMFYSA-N 1 2 324.377 2.149 20 5 DEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000779214160 642473759 /nfs/dbraw/zinc/47/37/59/642473759.db2.gz RBVXNDKKZRYUMJ-JTQLQIEISA-N 1 2 320.736 2.190 20 5 DEBDLO C[NH+](C)Cc1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)ccc1F ZINC000842494714 650753596 /nfs/dbraw/zinc/75/35/96/650753596.db2.gz XFSPELKZIBDOOZ-ZYHUDNBSSA-N 1 2 306.297 2.070 20 5 DEBDLO C[NH+](C)Cc1cc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)ccc1F ZINC000842494714 650753604 /nfs/dbraw/zinc/75/36/04/650753604.db2.gz XFSPELKZIBDOOZ-ZYHUDNBSSA-N 1 2 306.297 2.070 20 5 DEBDLO CN(C)c1cc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc[nH+]1 ZINC000782110965 642827681 /nfs/dbraw/zinc/82/76/81/642827681.db2.gz BIGKYTCPGMASCS-UHFFFAOYSA-N 1 2 324.344 2.363 20 5 DEBDLO COc1cc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)cc([N+](=O)[O-])c1 ZINC000903159542 643271916 /nfs/dbraw/zinc/27/19/16/643271916.db2.gz YRYHARBRJMAZRX-NXEZZACHSA-N 1 2 305.338 2.144 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000905676499 644001759 /nfs/dbraw/zinc/00/17/59/644001759.db2.gz BTBQGIXAFRNPBK-VIFPVBQESA-N 1 2 308.235 2.115 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000905676499 644001760 /nfs/dbraw/zinc/00/17/60/644001760.db2.gz BTBQGIXAFRNPBK-VIFPVBQESA-N 1 2 308.235 2.115 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000905734013 644024912 /nfs/dbraw/zinc/02/49/12/644024912.db2.gz MMEZSEOWYQBZCS-NSHDSACASA-N 1 2 307.379 2.160 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000905734013 644024914 /nfs/dbraw/zinc/02/49/14/644024914.db2.gz MMEZSEOWYQBZCS-NSHDSACASA-N 1 2 307.379 2.160 20 5 DEBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795557978 644596248 /nfs/dbraw/zinc/59/62/48/644596248.db2.gz YHAREIYKQPKGTF-GJZGRUSLSA-N 1 2 324.377 2.148 20 5 DEBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795557978 644596252 /nfs/dbraw/zinc/59/62/52/644596252.db2.gz YHAREIYKQPKGTF-GJZGRUSLSA-N 1 2 324.377 2.148 20 5 DEBDLO CSCCC[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000799159734 645135450 /nfs/dbraw/zinc/13/54/50/645135450.db2.gz KOGCQYHHZIYSOP-UHFFFAOYSA-N 1 2 311.363 2.145 20 5 DEBDLO CSCCC[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000799159734 645135452 /nfs/dbraw/zinc/13/54/52/645135452.db2.gz KOGCQYHHZIYSOP-UHFFFAOYSA-N 1 2 311.363 2.145 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1F ZINC000801515083 645407087 /nfs/dbraw/zinc/40/70/87/645407087.db2.gz WIPZTWDWURIURD-AWEZNQCLSA-N 1 2 310.325 2.461 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1F ZINC000801515083 645407090 /nfs/dbraw/zinc/40/70/90/645407090.db2.gz WIPZTWDWURIURD-AWEZNQCLSA-N 1 2 310.325 2.461 20 5 DEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803361438 645640369 /nfs/dbraw/zinc/64/03/69/645640369.db2.gz MALBFEYNOIIUFY-ZDUSSCGKSA-N 1 2 314.288 2.401 20 5 DEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803361438 645640371 /nfs/dbraw/zinc/64/03/71/645640371.db2.gz MALBFEYNOIIUFY-ZDUSSCGKSA-N 1 2 314.288 2.401 20 5 DEBDLO Nc1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000804335749 645757459 /nfs/dbraw/zinc/75/74/59/645757459.db2.gz DKMXXXNIYFYOIJ-UHFFFAOYSA-N 1 2 302.334 2.092 20 5 DEBDLO CN(CCCn1cc[nH+]c1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804559944 645790539 /nfs/dbraw/zinc/79/05/39/645790539.db2.gz MTRZJUIMHMHPLJ-UHFFFAOYSA-N 1 2 305.294 2.226 20 5 DEBDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917510 646299117 /nfs/dbraw/zinc/29/91/17/646299117.db2.gz MKLKWSXZUWZFMQ-UHFFFAOYSA-N 1 2 309.713 2.303 20 5 DEBDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000817363497 647275948 /nfs/dbraw/zinc/27/59/48/647275948.db2.gz DWJFFAMKYQQENJ-NWDGAFQWSA-N 1 2 324.381 2.191 20 5 DEBDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000817363497 647275951 /nfs/dbraw/zinc/27/59/51/647275951.db2.gz DWJFFAMKYQQENJ-NWDGAFQWSA-N 1 2 324.381 2.191 20 5 DEBDLO CCC(=O)c1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000853637008 652582458 /nfs/dbraw/zinc/58/24/58/652582458.db2.gz NVQAEOJGRVEKES-UHFFFAOYSA-N 1 2 300.318 2.473 20 5 DEBDLO COCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929319488 693935835 /nfs/dbraw/zinc/93/58/35/693935835.db2.gz NTVNCEJTAOBVHE-UHFFFAOYSA-N 1 2 303.156 2.436 20 5 DEBDLO COCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929319488 693935838 /nfs/dbraw/zinc/93/58/38/693935838.db2.gz NTVNCEJTAOBVHE-UHFFFAOYSA-N 1 2 303.156 2.436 20 5 DEBDLO Cc1c(C[NH2+][C@@H](C)c2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000873011428 689140587 /nfs/dbraw/zinc/14/05/87/689140587.db2.gz YGDIVUKFGNXJDM-NSHDSACASA-N 1 2 301.350 2.292 20 5 DEBDLO CC(C)(CCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000874889777 689530327 /nfs/dbraw/zinc/53/03/27/689530327.db2.gz MUXYJANQDAOLHN-AWEZNQCLSA-N 1 2 323.368 2.134 20 5 DEBDLO CCCn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000877515235 690137662 /nfs/dbraw/zinc/13/76/62/690137662.db2.gz YOUBYUZCUHBPRV-UHFFFAOYSA-N 1 2 303.366 2.271 20 5 DEBDLO CCCn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000877515235 690137665 /nfs/dbraw/zinc/13/76/65/690137665.db2.gz YOUBYUZCUHBPRV-UHFFFAOYSA-N 1 2 303.366 2.271 20 5 DEBDLO COCc1cc[nH+]c(NC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877616626 690168108 /nfs/dbraw/zinc/16/81/08/690168108.db2.gz LMMDSWABRVEDRI-UHFFFAOYSA-N 1 2 303.322 2.148 20 5 DEBDLO C[C@@H]1COCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878287152 690367899 /nfs/dbraw/zinc/36/78/99/690367899.db2.gz XRMGZAYXRLPRDY-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@@H]1COCCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878287152 690367902 /nfs/dbraw/zinc/36/79/02/690367902.db2.gz XRMGZAYXRLPRDY-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000879333582 690621808 /nfs/dbraw/zinc/62/18/08/690621808.db2.gz BXYIIFOHDDUDEY-CYBMUJFWSA-N 1 2 324.356 2.017 20 5 DEBDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000879333582 690621812 /nfs/dbraw/zinc/62/18/12/690621812.db2.gz BXYIIFOHDDUDEY-CYBMUJFWSA-N 1 2 324.356 2.017 20 5 DEBDLO C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000882087195 691214449 /nfs/dbraw/zinc/21/44/49/691214449.db2.gz XMWQEIVBTLBUQX-CMPLNLGQSA-N 1 2 305.313 2.413 20 5 DEBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000932053498 694537033 /nfs/dbraw/zinc/53/70/33/694537033.db2.gz GALDJCKPNOWCAN-VNHYZAJKSA-N 1 2 322.336 2.365 20 5 DEBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000932053498 694537036 /nfs/dbraw/zinc/53/70/36/694537036.db2.gz GALDJCKPNOWCAN-VNHYZAJKSA-N 1 2 322.336 2.365 20 5 DEBDLO Cn1cc[nH+]c1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001348079244 1151117911 /nfs/dbraw/zinc/11/79/11/1151117911.db2.gz BRRCJHFQOUKTRL-UHFFFAOYSA-N 1 2 316.361 2.312 20 5 DEBDLO Cc1c(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc(F)cc1[N+](=O)[O-] ZINC001168369942 781589356 /nfs/dbraw/zinc/58/93/56/781589356.db2.gz PIXKOACLAQBUEO-GFCCVEGCSA-N 1 2 309.341 2.317 20 5 DEBDLO Cc1c(N[C@@H]2CCC[N@H+](C3COC3)C2)cc(F)cc1[N+](=O)[O-] ZINC001168369942 781589360 /nfs/dbraw/zinc/58/93/60/781589360.db2.gz PIXKOACLAQBUEO-GFCCVEGCSA-N 1 2 309.341 2.317 20 5 DEBDLO Cc1c(Br)c(NC[C@H]2CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000712548555 792199782 /nfs/dbraw/zinc/19/97/82/792199782.db2.gz PCMQAZNDQPULGN-MRVPVSSYSA-N 1 2 315.171 2.177 20 5 DEBDLO Cc1c(Br)c(NC[C@H]2CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000712548555 792199776 /nfs/dbraw/zinc/19/97/76/792199776.db2.gz PCMQAZNDQPULGN-MRVPVSSYSA-N 1 2 315.171 2.177 20 5 DEBDLO Nc1ccc2n(C(=O)Cc3c[nH]c[nH+]3)c3ccccc3cc-2c1=O ZINC001176833528 794508603 /nfs/dbraw/zinc/50/86/03/794508603.db2.gz ONGGADMGTNHQFE-UHFFFAOYSA-N 1 2 318.336 2.295 20 5 DEBDLO O=C(NCCn1cc[nH+]c1)c1ccnc2c1ccc1cccnc12 ZINC001155806170 797853310 /nfs/dbraw/zinc/85/33/10/797853310.db2.gz XCTJQKRSIVLXBF-UHFFFAOYSA-N 1 2 317.352 2.410 20 5 DEBDLO O=[N+]([O-])c1cccc(Br)c1CNCC[NH+]1CCC1 ZINC001201586931 798775203 /nfs/dbraw/zinc/77/52/03/798775203.db2.gz IQIVFISVWVHOMF-UHFFFAOYSA-N 1 2 314.183 2.153 20 5 DEBDLO COC(=O)c1cnc(NCc2c[nH+]cn2C(C)C)c([N+](=O)[O-])c1 ZINC001161563308 798886048 /nfs/dbraw/zinc/88/60/48/798886048.db2.gz YJSHOUMMOZWUJR-UHFFFAOYSA-N 1 2 319.321 2.166 20 5 DEBDLO CCn1c[nH+]c2c1CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000933263106 800053609 /nfs/dbraw/zinc/05/36/09/800053609.db2.gz XUFVKOCQCMPGSC-UHFFFAOYSA-N 1 2 316.361 2.248 20 5 DEBDLO CCn1c[nH+]c2c1CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000933263160 800054018 /nfs/dbraw/zinc/05/40/18/800054018.db2.gz YGXJEPQIKQWEJH-UHFFFAOYSA-N 1 2 316.361 2.378 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c1 ZINC000933667190 800154965 /nfs/dbraw/zinc/15/49/65/800154965.db2.gz PFVVLBQOVLZYLL-HOCLYGCPSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c1 ZINC000933667190 800154969 /nfs/dbraw/zinc/15/49/69/800154969.db2.gz PFVVLBQOVLZYLL-HOCLYGCPSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H]2CCCO2)cc1 ZINC000933672238 800156917 /nfs/dbraw/zinc/15/69/17/800156917.db2.gz PTKWZXWZRAXGMO-JKSUJKDBSA-N 1 2 306.362 2.365 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H]2CCCO2)cc1 ZINC000933672238 800156920 /nfs/dbraw/zinc/15/69/20/800156920.db2.gz PTKWZXWZRAXGMO-JKSUJKDBSA-N 1 2 306.362 2.365 20 5 DEBDLO C[C@@H](C[N+](C)(C)C)Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 ZINC001229622144 801298449 /nfs/dbraw/zinc/29/84/49/801298449.db2.gz DLOIECVBLRHZJZ-FZMZJTMJSA-O 1 2 323.438 2.054 20 5 DEBDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1Cl ZINC001229976536 801344525 /nfs/dbraw/zinc/34/45/25/801344525.db2.gz YGDRARHUKMJCHQ-SNVBAGLBSA-N 1 2 300.742 2.266 20 5 DEBDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1Cl ZINC001229976536 801344533 /nfs/dbraw/zinc/34/45/33/801344533.db2.gz YGDRARHUKMJCHQ-SNVBAGLBSA-N 1 2 300.742 2.266 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1(O)CCCCC1)C2 ZINC001330657992 1149235944 /nfs/dbraw/zinc/23/59/44/1149235944.db2.gz NUKUETJYYNIMHM-MRXNPFEDSA-N 1 2 320.389 2.357 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1(O)CCCCC1)C2 ZINC001330657992 1149235980 /nfs/dbraw/zinc/23/59/80/1149235980.db2.gz NUKUETJYYNIMHM-MRXNPFEDSA-N 1 2 320.389 2.357 20 5 DEBDLO CCCC(=O)Nc1c(OC2C[NH+](CC)C2)cccc1[N+](=O)[O-] ZINC001231360259 801647023 /nfs/dbraw/zinc/64/70/23/801647023.db2.gz YXELNJHSYDWFOL-UHFFFAOYSA-N 1 2 307.350 2.416 20 5 DEBDLO O=[N+]([O-])c1c(Br)cccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218235286 802158237 /nfs/dbraw/zinc/15/82/37/802158237.db2.gz AUASYLBFZUPLJU-QMMMGPOBSA-N 1 2 323.093 2.343 20 5 DEBDLO C[C@H](C[NH+]1CCOCC1)Oc1c2cccnc2ccc1[N+](=O)[O-] ZINC001233778672 802209394 /nfs/dbraw/zinc/20/93/94/802209394.db2.gz MJMKOEUIXBYHNJ-GFCCVEGCSA-N 1 2 317.345 2.243 20 5 DEBDLO CC[NH+](CC)C[C@@H](C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243478 803334708 /nfs/dbraw/zinc/33/47/08/803334708.db2.gz ZFOAQSBMWNOXPE-SNVBAGLBSA-N 1 2 320.349 2.353 20 5 DEBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228754310 803406717 /nfs/dbraw/zinc/40/67/17/803406717.db2.gz ALBQDNCGBMXRNS-JTQLQIEISA-N 1 2 300.742 2.348 20 5 DEBDLO Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001524057711 1069801220 /nfs/dbraw/zinc/80/12/20/1069801220.db2.gz AAMSRFVLPLFVQV-UHFFFAOYSA-N 1 2 313.273 2.329 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001524832428 1070034607 /nfs/dbraw/zinc/03/46/07/1070034607.db2.gz XGILSNXEDIYMSA-ZIAGYGMSSA-N 1 2 301.302 2.175 20 5 DEBDLO COc1cc(C[NH2+]Cc2nc(C)cs2)c([N+](=O)[O-])cc1O ZINC001461025518 1058572029 /nfs/dbraw/zinc/57/20/29/1058572029.db2.gz HSVZESVBFFTSBH-UHFFFAOYSA-N 1 2 309.347 2.364 20 5 DEBDLO Cc1ncncc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001463226642 1058943266 /nfs/dbraw/zinc/94/32/66/1058943266.db2.gz GSFZUPGVZNPFOR-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1ccn2cc[nH+]c2c1 ZINC001472729470 1060574441 /nfs/dbraw/zinc/57/44/41/1060574441.db2.gz VQLARVIEAMBVAS-UHFFFAOYSA-N 1 2 303.709 2.325 20 5 DEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3CCCC[C@H]32)cc1 ZINC001619818993 1078161199 /nfs/dbraw/zinc/16/11/99/1078161199.db2.gz LVWXSVUPYMCYGM-IUODEOHRSA-N 1 2 324.402 2.243 20 5 DEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3CCCC[C@H]32)cc1 ZINC001619818993 1078161201 /nfs/dbraw/zinc/16/12/01/1078161201.db2.gz LVWXSVUPYMCYGM-IUODEOHRSA-N 1 2 324.402 2.243 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCn3cc[nH+]c3)c2c1 ZINC001639164589 1078599114 /nfs/dbraw/zinc/59/91/14/1078599114.db2.gz PICMYHVZBZYZCA-UHFFFAOYSA-N 1 2 318.724 2.500 20 5 DEBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]c1C ZINC001645370633 1078897809 /nfs/dbraw/zinc/89/78/09/1078897809.db2.gz MFXDOMPLOMHJFP-NSHDSACASA-N 1 2 303.322 2.240 20 5 DEBDLO CCc1[nH]c(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001646326215 1074415557 /nfs/dbraw/zinc/41/55/57/1074415557.db2.gz XGESDYPOOMRANA-JTQLQIEISA-N 1 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ZINC001595684110 1077066118 /nfs/dbraw/zinc/06/61/18/1077066118.db2.gz DTOGFWPLHRVIOB-UHFFFAOYSA-N 1 2 308.725 2.183 20 5 DEBDLO CC(C)C1(O)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001656505953 1080098146 /nfs/dbraw/zinc/09/81/46/1080098146.db2.gz FATLHQFLEFUHPU-UHFFFAOYSA-N 1 2 321.377 2.016 20 5 DEBDLO CN(C)c1cc(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc[nH+]1 ZINC001656515637 1080099314 /nfs/dbraw/zinc/09/93/14/1080099314.db2.gz PHVUHGYNACJFIU-UHFFFAOYSA-N 1 2 314.301 2.012 20 5 DEBDLO Cc1c(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC001658051948 1080194953 /nfs/dbraw/zinc/19/49/53/1080194953.db2.gz KSZKGRAOMBTCEV-SNVBAGLBSA-N 1 2 303.322 2.310 20 5 DEBDLO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1noc(C)n1 ZINC001658189927 1080200554 /nfs/dbraw/zinc/20/05/54/1080200554.db2.gz KTKBBMUHXHNEKH-CYBMUJFWSA-N 1 2 306.322 2.406 20 5 DEBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C)n2C)cc1[N+](=O)[O-] ZINC001319670732 1140653216 /nfs/dbraw/zinc/65/32/16/1140653216.db2.gz IVEKXMGSTBVIKL-JTQLQIEISA-N 1 2 319.365 2.281 20 5 DEBDLO COc1cc(F)c([N+](=O)[O-])c(SC[C@H]2C[N@H+](C)CCO2)c1 ZINC001261453006 1144248785 /nfs/dbraw/zinc/24/87/85/1144248785.db2.gz RRWVWJWIQMZIIA-SNVBAGLBSA-N 1 2 316.354 2.165 20 5 DEBDLO COc1cc(F)c([N+](=O)[O-])c(SC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001261453006 1144248791 /nfs/dbraw/zinc/24/87/91/1144248791.db2.gz RRWVWJWIQMZIIA-SNVBAGLBSA-N 1 2 316.354 2.165 20 5 DEBDLO O=[N+]([O-])c1ccsc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302828974 230844624 /nfs/dbraw/zinc/84/46/24/230844624.db2.gz JJKIBKWDLUPXOO-LLVKDONJSA-N 1 2 308.363 2.329 20 5 DEBDLO CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1[nH]cc[nH+]1 ZINC000442800621 529483160 /nfs/dbraw/zinc/48/31/60/529483160.db2.gz KHYFJWYHBNXFTA-LBPRGKRZSA-N 1 2 302.334 2.436 20 5 DEBDLO Cc1nccnc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000374136218 282219420 /nfs/dbraw/zinc/21/94/20/282219420.db2.gz HVFFBYGWDMSDPQ-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CCOCC1 ZINC000615992164 362746868 /nfs/dbraw/zinc/74/68/68/362746868.db2.gz GLTLNJXHZCFKEC-UHFFFAOYSA-N 1 2 321.377 2.018 20 5 DEBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152648258 186093649 /nfs/dbraw/zinc/09/36/49/186093649.db2.gz QXWRXPAHHGKBCC-UHFFFAOYSA-N 1 2 307.331 2.205 20 5 DEBDLO Cc1noc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492626 358463847 /nfs/dbraw/zinc/46/38/47/358463847.db2.gz XVGUPGONKVVHMY-SMDDNHRTSA-N 1 2 307.350 2.425 20 5 DEBDLO Cc1noc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492626 358463852 /nfs/dbraw/zinc/46/38/52/358463852.db2.gz XVGUPGONKVVHMY-SMDDNHRTSA-N 1 2 307.350 2.425 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000617350361 363105138 /nfs/dbraw/zinc/10/51/38/363105138.db2.gz FYLIYIPUTXCAIW-UHFFFAOYSA-N 1 2 318.333 2.010 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2nccs2)CC1 ZINC000030349965 354123822 /nfs/dbraw/zinc/12/38/22/354123822.db2.gz KEFHTRLWQKGRBY-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO O=C(Nc1cccnc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031811783 354140316 /nfs/dbraw/zinc/14/03/16/354140316.db2.gz RILMNKPUQGEBJU-UHFFFAOYSA-N 1 2 309.285 2.428 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCSCC3)n2)c1 ZINC000047987570 354337769 /nfs/dbraw/zinc/33/77/69/354337769.db2.gz LSXJRWKWQQOCKT-UHFFFAOYSA-N 1 2 306.347 2.194 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000063582719 354649838 /nfs/dbraw/zinc/64/98/38/354649838.db2.gz RJYRVBXQAYMNIZ-UHFFFAOYSA-N 1 2 302.334 2.310 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000078262316 355249813 /nfs/dbraw/zinc/24/98/13/355249813.db2.gz JIQPAISZIMAOIJ-UHFFFAOYSA-N 1 2 300.322 2.249 20 5 DEBDLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000078867964 355281077 /nfs/dbraw/zinc/28/10/77/355281077.db2.gz SUUCFIIUBGWGQP-UHFFFAOYSA-N 1 2 300.318 2.140 20 5 DEBDLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605376 355517202 /nfs/dbraw/zinc/51/72/02/355517202.db2.gz PSAFOMKYXVPLJX-NEPJUHHUSA-N 1 2 305.378 2.256 20 5 DEBDLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605376 355517204 /nfs/dbraw/zinc/51/72/04/355517204.db2.gz PSAFOMKYXVPLJX-NEPJUHHUSA-N 1 2 305.378 2.256 20 5 DEBDLO Cc1noc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000091833625 355610291 /nfs/dbraw/zinc/61/02/91/355610291.db2.gz VTCXUAOLXBKAJQ-UHFFFAOYSA-N 1 2 318.333 2.371 20 5 DEBDLO CC(C)c1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092042019 355616522 /nfs/dbraw/zinc/61/65/22/355616522.db2.gz ZFXHCUVKBSESPO-GXTWGEPZSA-N 1 2 308.378 2.300 20 5 DEBDLO CC(C)c1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092042019 355616526 /nfs/dbraw/zinc/61/65/26/355616526.db2.gz ZFXHCUVKBSESPO-GXTWGEPZSA-N 1 2 308.378 2.300 20 5 DEBDLO CC(C)[N@@H+](CC(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182034415 356105882 /nfs/dbraw/zinc/10/58/82/356105882.db2.gz YEAQZXSNNQQYER-NSHDSACASA-N 1 2 318.320 2.310 20 5 DEBDLO CC(C)[N@H+](CC(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182034415 356105888 /nfs/dbraw/zinc/10/58/88/356105888.db2.gz YEAQZXSNNQQYER-NSHDSACASA-N 1 2 318.320 2.310 20 5 DEBDLO C[C@H](O)C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000579764140 357027158 /nfs/dbraw/zinc/02/71/58/357027158.db2.gz CFRILXILNWDXJS-VZFYUFDISA-N 1 2 306.362 2.080 20 5 DEBDLO C[C@H](O)C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000579764140 357027160 /nfs/dbraw/zinc/02/71/60/357027160.db2.gz CFRILXILNWDXJS-VZFYUFDISA-N 1 2 306.362 2.080 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000588815608 357425862 /nfs/dbraw/zinc/42/58/62/357425862.db2.gz FTIDMAHVZJJBCS-LBPRGKRZSA-N 1 2 304.354 2.158 20 5 DEBDLO O=[N+]([O-])c1cncc(Cl)c1NCCCNc1cccc[nH+]1 ZINC000589107508 357443718 /nfs/dbraw/zinc/44/37/18/357443718.db2.gz CXWNFZZNELLMPX-UHFFFAOYSA-N 1 2 307.741 2.374 20 5 DEBDLO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000590393752 357539581 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COc1cc(NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])cc1C ZINC000596113022 358613920 /nfs/dbraw/zinc/61/39/20/358613920.db2.gz ILNPILMAEGBPCQ-GFCCVEGCSA-N 1 2 309.366 2.044 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596247302 358650988 /nfs/dbraw/zinc/65/09/88/358650988.db2.gz NDLXNTOVQMRMPG-GFCCVEGCSA-N 1 2 309.341 2.035 20 5 DEBDLO CCOC(=O)c1ccnc(N[C@@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000596545502 358710790 /nfs/dbraw/zinc/71/07/90/358710790.db2.gz ZDHWNYOIOGPVHY-VIFPVBQESA-N 1 2 319.321 2.073 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000596844900 358774506 /nfs/dbraw/zinc/77/45/06/358774506.db2.gz BQOVIKXFFLHFHN-LERXQTSPSA-N 1 2 314.345 2.309 20 5 DEBDLO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598261476 359140338 /nfs/dbraw/zinc/14/03/38/359140338.db2.gz FSZJYESSJIUPKX-GFCCVEGCSA-N 1 2 321.377 2.151 20 5 DEBDLO Cc1nccnc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000598678688 359287723 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DEBDLO CCCN1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1=O ZINC000189408639 200396407 /nfs/dbraw/zinc/39/64/07/200396407.db2.gz GYQCTTCUGRHHJQ-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC(O)C1 ZINC000602612055 360456192 /nfs/dbraw/zinc/45/61/92/360456192.db2.gz FXODNFVXFFFIEQ-UHFFFAOYSA-N 1 2 321.196 2.374 20 5 DEBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC(O)C1 ZINC000602612055 360456196 /nfs/dbraw/zinc/45/61/96/360456196.db2.gz FXODNFVXFFFIEQ-UHFFFAOYSA-N 1 2 321.196 2.374 20 5 DEBDLO Cc1cc(N2CC([C@@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000603410340 360823215 /nfs/dbraw/zinc/82/32/15/360823215.db2.gz RLKIQZKKYCKKJE-LLVKDONJSA-N 1 2 314.345 2.177 20 5 DEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610585161 361428237 /nfs/dbraw/zinc/42/82/37/361428237.db2.gz CQGCZPSPMJFACB-ZWNOBZJWSA-N 1 2 305.334 2.026 20 5 DEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610585161 361428241 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2.183 20 5 DEBDLO Cc1[nH]c(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[nH+]c1C ZINC001465748901 1059359377 /nfs/dbraw/zinc/35/93/77/1059359377.db2.gz FBQGFSJQDUBIQY-UHFFFAOYSA-N 1 2 302.334 2.102 20 5 DEBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)cc(C)[nH+]1 ZINC001469141086 1059907261 /nfs/dbraw/zinc/90/72/61/1059907261.db2.gz BJXBLIGMBHQFIW-UHFFFAOYSA-N 1 2 300.318 2.119 20 5 DEBDLO O=C(CCCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001469454471 1059952356 /nfs/dbraw/zinc/95/23/56/1059952356.db2.gz QHEIDHQGKVDAPC-UHFFFAOYSA-N 1 2 324.287 2.166 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001472887101 1060604915 /nfs/dbraw/zinc/60/49/15/1060604915.db2.gz MGVYXBCHHGEQGS-UHFFFAOYSA-N 1 2 304.354 2.334 20 5 DEBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001629655719 1078322910 /nfs/dbraw/zinc/32/29/10/1078322910.db2.gz WWAAOEJFCNAKOS-SNVBAGLBSA-N 1 2 320.324 2.305 20 5 DEBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001514960209 1068816826 /nfs/dbraw/zinc/81/68/26/1068816826.db2.gz DMKKDZSNKANBGN-KFWWJZLASA-N 1 2 322.336 2.285 20 5 DEBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001514960209 1068816843 /nfs/dbraw/zinc/81/68/43/1068816843.db2.gz DMKKDZSNKANBGN-KFWWJZLASA-N 1 2 322.336 2.285 20 5 DEBDLO Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1[N+](=O)[O-] ZINC001643138159 1078786418 /nfs/dbraw/zinc/78/64/18/1078786418.db2.gz GZEIJQNOLBWNLS-UHFFFAOYSA-N 1 2 312.329 2.079 20 5 DEBDLO Cc1c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001643586968 1078806185 /nfs/dbraw/zinc/80/61/85/1078806185.db2.gz DOOLMLXHAKRFKG-JHJVBQTASA-N 1 2 305.378 2.343 20 5 DEBDLO Cc1c(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001643586968 1078806188 /nfs/dbraw/zinc/80/61/88/1078806188.db2.gz DOOLMLXHAKRFKG-JHJVBQTASA-N 1 2 305.378 2.343 20 5 DEBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001645366540 1078897138 /nfs/dbraw/zinc/89/71/38/1078897138.db2.gz RNBMFBUIXSQXLE-UHFFFAOYSA-N 1 2 300.318 2.127 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001648213493 1074989389 /nfs/dbraw/zinc/98/93/89/1074989389.db2.gz YJXDMEJGLZUMAE-UHFFFAOYSA-N 1 2 304.306 2.006 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001648428025 1074997662 /nfs/dbraw/zinc/99/76/62/1074997662.db2.gz PSUFKTWJYCDFBZ-UHFFFAOYSA-N 1 2 312.329 2.079 20 5 DEBDLO CNc1ccc(Nc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])c[nH+]1 ZINC001591224257 1076717480 /nfs/dbraw/zinc/71/74/80/1076717480.db2.gz UMGYZOIZHXBKCL-UHFFFAOYSA-N 1 2 318.322 2.017 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000078880543 185122208 /nfs/dbraw/zinc/12/22/08/185122208.db2.gz ZOKVHHPDWMIBSJ-UHFFFAOYSA-N 1 2 316.317 2.317 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CO)C2)ccc1Br ZINC000092763522 185338912 /nfs/dbraw/zinc/33/89/12/185338912.db2.gz NYYHBEUKNDVXET-SNVBAGLBSA-N 1 2 315.167 2.172 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CO)C2)ccc1Br ZINC000092763522 185338913 /nfs/dbraw/zinc/33/89/13/185338913.db2.gz NYYHBEUKNDVXET-SNVBAGLBSA-N 1 2 315.167 2.172 20 5 DEBDLO COC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000188336738 282298055 /nfs/dbraw/zinc/29/80/55/282298055.db2.gz CZOXJLMTZZVNRS-RLWBPUTGSA-N 1 2 306.362 2.344 20 5 DEBDLO COC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000188336738 282298059 /nfs/dbraw/zinc/29/80/59/282298059.db2.gz CZOXJLMTZZVNRS-RLWBPUTGSA-N 1 2 306.362 2.344 20 5 DEBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172175154 198052770 /nfs/dbraw/zinc/05/27/70/198052770.db2.gz WFJZMBJLSCCSOU-CQSZACIVSA-N 1 2 323.780 2.491 20 5 DEBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172175154 198052771 /nfs/dbraw/zinc/05/27/71/198052771.db2.gz WFJZMBJLSCCSOU-CQSZACIVSA-N 1 2 323.780 2.491 20 5 DEBDLO Cc1noc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1[N+](=O)[O-] ZINC000595530777 358475147 /nfs/dbraw/zinc/47/51/47/358475147.db2.gz SXRHKBFDQTVRGZ-UHFFFAOYSA-N 1 2 307.354 2.283 20 5 DEBDLO Cc1noc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1[N+](=O)[O-] ZINC000595530777 358475148 /nfs/dbraw/zinc/47/51/48/358475148.db2.gz SXRHKBFDQTVRGZ-UHFFFAOYSA-N 1 2 307.354 2.283 20 5 DEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000018055433 354042223 /nfs/dbraw/zinc/04/22/23/354042223.db2.gz QYFXCKWMKKMXKG-UHFFFAOYSA-N 1 2 321.236 2.074 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000047028114 354303516 /nfs/dbraw/zinc/30/35/16/354303516.db2.gz JZYPMRPIOUGYNT-LBPRGKRZSA-N 1 2 317.349 2.021 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058298548 354589455 /nfs/dbraw/zinc/58/94/55/354589455.db2.gz PZAQIQRYDZAMKD-JTQLQIEISA-N 1 2 313.317 2.091 20 5 DEBDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000061512280 354626373 /nfs/dbraw/zinc/62/63/73/354626373.db2.gz AKOULKITZNAOIQ-BQYQJAHWSA-N 1 2 300.318 2.000 20 5 DEBDLO O=C(NCCCCn1cc[nH+]c1)NCc1cccc([N+](=O)[O-])c1 ZINC000067724144 354775933 /nfs/dbraw/zinc/77/59/33/354775933.db2.gz BEWYIGKZSYJFQI-UHFFFAOYSA-N 1 2 317.349 2.071 20 5 DEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553281 355091927 /nfs/dbraw/zinc/09/19/27/355091927.db2.gz ICFOEAOVGIJIIZ-LBPRGKRZSA-N 1 2 300.318 2.338 20 5 DEBDLO Cn1nccc1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092810237 355651540 /nfs/dbraw/zinc/65/15/40/355651540.db2.gz BFRKRUBNNLEWSN-UHFFFAOYSA-N 1 2 316.361 2.414 20 5 DEBDLO CCc1nn(C)c(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000092827853 355653122 /nfs/dbraw/zinc/65/31/22/355653122.db2.gz XPZFQAOGCUABJN-UHFFFAOYSA-N 1 2 314.349 2.193 20 5 DEBDLO C[N@H+](CCN1CCCC1=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119115500 355784496 /nfs/dbraw/zinc/78/44/96/355784496.db2.gz PHMJTJISVWKNSY-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO C[N@@H+](CCN1CCCC1=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119115500 355784499 /nfs/dbraw/zinc/78/44/99/355784499.db2.gz PHMJTJISVWKNSY-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000142333367 355893927 /nfs/dbraw/zinc/89/39/27/355893927.db2.gz VGIFBHAHXKIMNC-UHFFFAOYSA-N 1 2 302.338 2.457 20 5 DEBDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276916571 213173756 /nfs/dbraw/zinc/17/37/56/213173756.db2.gz QZWKCYOYUDLVPB-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276916571 213173760 /nfs/dbraw/zinc/17/37/60/213173760.db2.gz QZWKCYOYUDLVPB-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000578725030 356861083 /nfs/dbraw/zinc/86/10/83/356861083.db2.gz VWLVUCNCYNTXNC-KBPBESRZSA-N 1 2 324.356 2.184 20 5 DEBDLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000430545036 283255727 /nfs/dbraw/zinc/25/57/27/283255727.db2.gz PTGUINNTPZQMOG-UHFFFAOYSA-N 1 2 302.334 2.233 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000592828568 357951909 /nfs/dbraw/zinc/95/19/09/357951909.db2.gz VVOUIPHPNXAJEU-JTQLQIEISA-N 1 2 315.333 2.034 20 5 DEBDLO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000078395376 283358729 /nfs/dbraw/zinc/35/87/29/283358729.db2.gz LSFGCFIUGLQGDI-MRXNPFEDSA-N 1 2 311.341 2.007 20 5 DEBDLO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000078395376 283358730 /nfs/dbraw/zinc/35/87/30/283358730.db2.gz LSFGCFIUGLQGDI-MRXNPFEDSA-N 1 2 311.341 2.007 20 5 DEBDLO Cc1c[nH+]c(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)c1 ZINC000594596237 358301145 /nfs/dbraw/zinc/30/11/45/358301145.db2.gz QQKGXZKJQWFIHG-UHFFFAOYSA-N 1 2 314.345 2.360 20 5 DEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595287472 358412935 /nfs/dbraw/zinc/41/29/35/358412935.db2.gz IVOUVMXDUSONNR-JGGQBBKZSA-N 1 2 317.389 2.474 20 5 DEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595287472 358412937 /nfs/dbraw/zinc/41/29/37/358412937.db2.gz IVOUVMXDUSONNR-JGGQBBKZSA-N 1 2 317.389 2.474 20 5 DEBDLO O=C(N[C@]12C[C@H]1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597880916 359031485 /nfs/dbraw/zinc/03/14/85/359031485.db2.gz DZYKPDBKLWSGHX-MLGOLLRUSA-N 1 2 312.329 2.453 20 5 DEBDLO CCc1cc(NCC2COC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599175332 359425753 /nfs/dbraw/zinc/42/57/53/359425753.db2.gz HABLENHXBSVRBY-UHFFFAOYSA-N 1 2 314.345 2.094 20 5 DEBDLO O=C(CCCn1cc[nH+]c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604528386 360914078 /nfs/dbraw/zinc/91/40/78/360914078.db2.gz PBWNKSHTYPEOFE-UHFFFAOYSA-N 1 2 300.318 2.161 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131778 361280649 /nfs/dbraw/zinc/28/06/49/361280649.db2.gz YBXHZXHWTNKZRZ-LBPRGKRZSA-N 1 2 318.308 2.408 20 5 DEBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609631174 361331143 /nfs/dbraw/zinc/33/11/43/361331143.db2.gz WQXQQEKFWZOWQF-CYBMUJFWSA-N 1 2 313.361 2.268 20 5 DEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000619747728 363870355 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CCNC(=O)N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182618703 402704075 /nfs/dbraw/zinc/70/40/75/402704075.db2.gz JLMBOORLBKHJLX-CYBMUJFWSA-N 1 2 320.393 2.311 20 5 DEBDLO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182099539 402666625 /nfs/dbraw/zinc/66/66/25/402666625.db2.gz OARYVKRUBHYBDB-GFCCVEGCSA-N 1 2 321.377 2.008 20 5 DEBDLO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182099539 402666626 /nfs/dbraw/zinc/66/66/26/402666626.db2.gz OARYVKRUBHYBDB-GFCCVEGCSA-N 1 2 321.377 2.008 20 5 DEBDLO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000191537266 402677224 /nfs/dbraw/zinc/67/72/24/402677224.db2.gz BJRMVJMXTMXAJO-TZMCWYRMSA-N 1 2 308.378 2.300 20 5 DEBDLO CC(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000191537266 402677226 /nfs/dbraw/zinc/67/72/26/402677226.db2.gz BJRMVJMXTMXAJO-TZMCWYRMSA-N 1 2 308.378 2.300 20 5 DEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(n2cc[nH+]c2)CC1 ZINC000192547374 402736472 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CCOC(=O)CC(C)(C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339059078 403338421 /nfs/dbraw/zinc/33/84/21/403338421.db2.gz DZFFGDWSZFKELX-UHFFFAOYSA-N 1 2 310.350 2.464 20 5 DEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000345995349 403563651 /nfs/dbraw/zinc/56/36/51/403563651.db2.gz RUSIORLPIGNWLT-LBPRGKRZSA-N 1 2 302.290 2.001 20 5 DEBDLO Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000332403133 403572465 /nfs/dbraw/zinc/57/24/65/403572465.db2.gz ABJHBTUHXYBBFR-UHFFFAOYSA-N 1 2 319.390 2.077 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC(F)(F)F)CC2 ZINC000332737170 403608980 /nfs/dbraw/zinc/60/89/80/403608980.db2.gz WAZMHVLYNYBBEA-LBPRGKRZSA-N 1 2 304.268 2.266 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC(F)(F)F)CC2 ZINC000332737170 403608985 /nfs/dbraw/zinc/60/89/85/403608985.db2.gz WAZMHVLYNYBBEA-LBPRGKRZSA-N 1 2 304.268 2.266 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000347361534 403679880 /nfs/dbraw/zinc/67/98/80/403679880.db2.gz PBQRZCVKFGVDTQ-LDCOFTPGSA-N 1 2 324.402 2.117 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000347361534 403679885 /nfs/dbraw/zinc/67/98/85/403679885.db2.gz PBQRZCVKFGVDTQ-LDCOFTPGSA-N 1 2 324.402 2.117 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCNc1cccc[nH+]1 ZINC000288149656 403734519 /nfs/dbraw/zinc/73/45/19/403734519.db2.gz OEUVRTPLPMHIEP-UHFFFAOYSA-N 1 2 304.354 2.429 20 5 DEBDLO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344123014 403925187 /nfs/dbraw/zinc/92/51/87/403925187.db2.gz GEAKASZEWFCSQD-VHSXEESVSA-N 1 2 300.305 2.466 20 5 DEBDLO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344123014 403925190 /nfs/dbraw/zinc/92/51/90/403925190.db2.gz GEAKASZEWFCSQD-VHSXEESVSA-N 1 2 300.305 2.466 20 5 DEBDLO Cn1ncc2c1CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000411843702 403989839 /nfs/dbraw/zinc/98/98/39/403989839.db2.gz LGHQETSKJUMCFV-UHFFFAOYSA-N 1 2 304.325 2.416 20 5 DEBDLO Cn1ncc2c1CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000411843702 403989842 /nfs/dbraw/zinc/98/98/42/403989842.db2.gz LGHQETSKJUMCFV-UHFFFAOYSA-N 1 2 304.325 2.416 20 5 DEBDLO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccon1 ZINC000351897351 403992636 /nfs/dbraw/zinc/99/26/36/403992636.db2.gz LMXWPCTUMBQKKU-UHFFFAOYSA-N 1 2 304.306 2.043 20 5 DEBDLO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccon1 ZINC000351897351 403992642 /nfs/dbraw/zinc/99/26/42/403992642.db2.gz LMXWPCTUMBQKKU-UHFFFAOYSA-N 1 2 304.306 2.043 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412038142 404077191 /nfs/dbraw/zinc/07/71/91/404077191.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 1 2 317.349 2.019 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412038142 404077195 /nfs/dbraw/zinc/07/71/95/404077195.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 1 2 317.349 2.019 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1csnn1 ZINC000412048369 404085890 /nfs/dbraw/zinc/08/58/90/404085890.db2.gz XKRKEMJEGGQCLL-VIFPVBQESA-N 1 2 321.362 2.044 20 5 DEBDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980448 404053777 /nfs/dbraw/zinc/05/37/77/404053777.db2.gz CEAONKDHYCTVPY-SWLSCSKDSA-N 1 2 323.368 2.029 20 5 DEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000369721407 404205451 /nfs/dbraw/zinc/20/54/51/404205451.db2.gz DVXFGGLWXXOZDH-UHFFFAOYSA-N 1 2 314.345 2.400 20 5 DEBDLO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000364855942 404539529 /nfs/dbraw/zinc/53/95/29/404539529.db2.gz NTIVSLNILFPKFU-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000364855942 404539535 /nfs/dbraw/zinc/53/95/35/404539535.db2.gz NTIVSLNILFPKFU-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccoc1 ZINC000345089459 404540521 /nfs/dbraw/zinc/54/05/21/404540521.db2.gz GVQCPEJKKKFAHG-UHFFFAOYSA-N 1 2 315.329 2.209 20 5 DEBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccoc1 ZINC000345089459 404540530 /nfs/dbraw/zinc/54/05/30/404540530.db2.gz GVQCPEJKKKFAHG-UHFFFAOYSA-N 1 2 315.329 2.209 20 5 DEBDLO CN(C)c1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000342413559 404563117 /nfs/dbraw/zinc/56/31/17/404563117.db2.gz ISQMPPLJRAXQLE-UHFFFAOYSA-N 1 2 318.308 2.125 20 5 DEBDLO Cc1ccc2[nH+]c(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000361115038 404926046 /nfs/dbraw/zinc/92/60/46/404926046.db2.gz IDIUILDAJFYACH-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436617403 405110044 /nfs/dbraw/zinc/11/00/44/405110044.db2.gz HYXIPCZEFBGZQV-NSHDSACASA-N 1 2 309.366 2.151 20 5 DEBDLO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436617403 405110045 /nfs/dbraw/zinc/11/00/45/405110045.db2.gz HYXIPCZEFBGZQV-NSHDSACASA-N 1 2 309.366 2.151 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000438954685 405260111 /nfs/dbraw/zinc/26/01/11/405260111.db2.gz SBQQQKRVESHNLY-UHFFFAOYSA-N 1 2 300.318 2.140 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000446485487 405383107 /nfs/dbraw/zinc/38/31/07/405383107.db2.gz PXOUSKANHRQBPW-LLVKDONJSA-N 1 2 315.333 2.236 20 5 DEBDLO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000421364138 405473369 /nfs/dbraw/zinc/47/33/69/405473369.db2.gz RIHSGNYLJJMMFF-HZRUHFOJSA-N 1 2 306.362 2.080 20 5 DEBDLO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000421364138 405473374 /nfs/dbraw/zinc/47/33/74/405473374.db2.gz RIHSGNYLJJMMFF-HZRUHFOJSA-N 1 2 306.362 2.080 20 5 DEBDLO Cc1cc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421564364 405540270 /nfs/dbraw/zinc/54/02/70/405540270.db2.gz YWRAUFSEOQIGJB-UHFFFAOYSA-N 1 2 315.329 2.302 20 5 DEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000523434610 406424918 /nfs/dbraw/zinc/42/49/18/406424918.db2.gz JLBXGYPNOYPJCV-LLVKDONJSA-N 1 2 303.322 2.024 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCSC[C@H]1CO ZINC000491974109 406798973 /nfs/dbraw/zinc/79/89/73/406798973.db2.gz ALQOSCIPAYAGCE-SECBINFHSA-N 1 2 302.783 2.158 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCSC[C@H]1CO ZINC000491974109 406798978 /nfs/dbraw/zinc/79/89/78/406798978.db2.gz ALQOSCIPAYAGCE-SECBINFHSA-N 1 2 302.783 2.158 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000276658823 287051881 /nfs/dbraw/zinc/05/18/81/287051881.db2.gz WRBLEUKRXXZWMB-VHSXEESVSA-N 1 2 302.338 2.328 20 5 DEBDLO CCC(C)(C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131294774 196158538 /nfs/dbraw/zinc/15/85/38/196158538.db2.gz CBDJSVFDFGAGSB-UHFFFAOYSA-N 1 2 305.378 2.258 20 5 DEBDLO CCC(C)(C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131294774 196158539 /nfs/dbraw/zinc/15/85/39/196158539.db2.gz CBDJSVFDFGAGSB-UHFFFAOYSA-N 1 2 305.378 2.258 20 5 DEBDLO CN(CCO)c1ccc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000602569237 422434546 /nfs/dbraw/zinc/43/45/46/422434546.db2.gz PRECPOIXZXWLNV-UHFFFAOYSA-N 1 2 316.361 2.073 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598950069 425041858 /nfs/dbraw/zinc/04/18/58/425041858.db2.gz NVAURXMVNJYTKZ-LLVKDONJSA-N 1 2 313.361 2.395 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2cnc(N)nc2C1 ZINC000598950069 425041860 /nfs/dbraw/zinc/04/18/60/425041860.db2.gz NVAURXMVNJYTKZ-LLVKDONJSA-N 1 2 313.361 2.395 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000371045495 269088563 /nfs/dbraw/zinc/08/85/63/269088563.db2.gz VNBWQJYSPZEQQI-SECBINFHSA-N 1 2 306.347 2.020 20 5 DEBDLO CN1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)OC1=O ZINC000495596669 269157884 /nfs/dbraw/zinc/15/78/84/269157884.db2.gz SAQYQXMWOAQPMF-CYBMUJFWSA-N 1 2 305.334 2.010 20 5 DEBDLO CN1C[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)OC1=O ZINC000495596669 269157885 /nfs/dbraw/zinc/15/78/85/269157885.db2.gz SAQYQXMWOAQPMF-CYBMUJFWSA-N 1 2 305.334 2.010 20 5 DEBDLO COC(=O)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000495646336 269163457 /nfs/dbraw/zinc/16/34/57/269163457.db2.gz XUDWHVPMSYMGNO-LBPRGKRZSA-N 1 2 307.350 2.348 20 5 DEBDLO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC001330089400 1149048337 /nfs/dbraw/zinc/04/83/37/1149048337.db2.gz YRABJBGAXLGLTB-LLVKDONJSA-N 1 2 311.338 2.199 20 5 DEBDLO CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC001330089400 1149048345 /nfs/dbraw/zinc/04/83/45/1149048345.db2.gz YRABJBGAXLGLTB-LLVKDONJSA-N 1 2 311.338 2.199 20 5 DEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364261085 523391294 /nfs/dbraw/zinc/39/12/94/523391294.db2.gz SLEFRHKYDMWAFO-ZDUSSCGKSA-N 1 2 314.345 2.012 20 5 DEBDLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000248949576 523719885 /nfs/dbraw/zinc/71/98/85/523719885.db2.gz PKTRWEZHNATHFC-WBMJQRKESA-N 1 2 321.377 2.423 20 5 DEBDLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000248949576 523719895 /nfs/dbraw/zinc/71/98/95/523719895.db2.gz PKTRWEZHNATHFC-WBMJQRKESA-N 1 2 321.377 2.423 20 5 DEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000299531528 534751710 /nfs/dbraw/zinc/75/17/10/534751710.db2.gz NEOZBJMVGRTPRX-UHFFFAOYSA-N 1 2 300.318 2.269 20 5 DEBDLO Cc1c(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000124746878 525691552 /nfs/dbraw/zinc/69/15/52/525691552.db2.gz KDJJXEGEEHGTKA-GFCCVEGCSA-N 1 2 316.361 2.095 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000339469798 526053975 /nfs/dbraw/zinc/05/39/75/526053975.db2.gz PCLALUUXTGWNPI-GFCCVEGCSA-N 1 2 314.345 2.266 20 5 DEBDLO CC(C)(C)NC(=O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413035580 526314415 /nfs/dbraw/zinc/31/44/15/526314415.db2.gz OUYJFNDMELSVHJ-UHFFFAOYSA-N 1 2 302.334 2.470 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000367748946 527348909 /nfs/dbraw/zinc/34/89/09/527348909.db2.gz LABQTNZSRNHVLC-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361420251 527388986 /nfs/dbraw/zinc/38/89/86/527388986.db2.gz MJTRKZIZZCDEJL-SECBINFHSA-N 1 2 304.268 2.183 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361420251 527388991 /nfs/dbraw/zinc/38/89/91/527388991.db2.gz MJTRKZIZZCDEJL-SECBINFHSA-N 1 2 304.268 2.183 20 5 DEBDLO CCN1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000190028357 529149071 /nfs/dbraw/zinc/14/90/71/529149071.db2.gz IDYVGOCOMQDGAX-UHFFFAOYSA-N 1 2 305.378 2.346 20 5 DEBDLO CCN1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000190028357 529149072 /nfs/dbraw/zinc/14/90/72/529149072.db2.gz IDYVGOCOMQDGAX-UHFFFAOYSA-N 1 2 305.378 2.346 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000456349465 536116299 /nfs/dbraw/zinc/11/62/99/536116299.db2.gz LFLQCJFXLSGZBX-LLVKDONJSA-N 1 2 302.334 2.231 20 5 DEBDLO C[C@@H](C(=O)OCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1F ZINC000755701624 633503576 /nfs/dbraw/zinc/50/35/76/633503576.db2.gz ABFXLXGAIQARIE-SECBINFHSA-N 1 2 307.281 2.314 20 5 DEBDLO Cc1n[nH]c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000893967268 636077749 /nfs/dbraw/zinc/07/77/49/636077749.db2.gz ZBDFOICTIYSOFP-UHFFFAOYSA-N 1 2 315.377 2.257 20 5 DEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c(OC)cccc1[N+](=O)[O-] ZINC000895801854 638205564 /nfs/dbraw/zinc/20/55/64/638205564.db2.gz MZEJSCCBIFUFSU-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895804079 638206354 /nfs/dbraw/zinc/20/63/54/638206354.db2.gz MQCUQYBWRZZARC-YUTCNCBUSA-N 1 2 304.346 2.211 20 5 DEBDLO COCC1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000895970121 638289499 /nfs/dbraw/zinc/28/94/99/638289499.db2.gz CWGRSISPAAMUPM-UHFFFAOYSA-N 1 2 302.277 2.274 20 5 DEBDLO C[N@H+](CCN1CCCC1=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674278 638368622 /nfs/dbraw/zinc/36/86/22/638368622.db2.gz SLEAJNFXSIOUMD-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO C[N@@H+](CCN1CCCC1=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674278 638368625 /nfs/dbraw/zinc/36/86/25/638368625.db2.gz SLEAJNFXSIOUMD-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000121310087 639400770 /nfs/dbraw/zinc/40/07/70/639400770.db2.gz KINHXRZMINVKCU-ZACQAIPSSA-N 1 2 317.389 2.473 20 5 DEBDLO O=C1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCN1 ZINC000769114947 641178071 /nfs/dbraw/zinc/17/80/71/641178071.db2.gz LEGMJILWBWPEBH-UHFFFAOYSA-N 1 2 315.329 2.177 20 5 DEBDLO O=C1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCN1 ZINC000769114947 641178073 /nfs/dbraw/zinc/17/80/73/641178073.db2.gz LEGMJILWBWPEBH-UHFFFAOYSA-N 1 2 315.329 2.177 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000898495479 641681750 /nfs/dbraw/zinc/68/17/50/641681750.db2.gz SCTUIBRZLBGIMX-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898495479 641681751 /nfs/dbraw/zinc/68/17/51/641681751.db2.gz SCTUIBRZLBGIMX-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000776591614 642190534 /nfs/dbraw/zinc/19/05/34/642190534.db2.gz LEPPTEFVZUGOER-GOEBONIOSA-N 1 2 318.329 2.295 20 5 DEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000776591614 642190535 /nfs/dbraw/zinc/19/05/35/642190535.db2.gz LEPPTEFVZUGOER-GOEBONIOSA-N 1 2 318.329 2.295 20 5 DEBDLO Cc1[nH+]ccn1CCCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780068753 642579698 /nfs/dbraw/zinc/57/96/98/642579698.db2.gz NORXQYJHLAWISH-UHFFFAOYSA-N 1 2 305.290 2.052 20 5 DEBDLO C[N@H+](CC(=O)Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000784087698 643095217 /nfs/dbraw/zinc/09/52/17/643095217.db2.gz OBKZHHSBOCMZHM-SNVBAGLBSA-N 1 2 314.338 2.077 20 5 DEBDLO C[N@@H+](CC(=O)Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000784087698 643095223 /nfs/dbraw/zinc/09/52/23/643095223.db2.gz OBKZHHSBOCMZHM-SNVBAGLBSA-N 1 2 314.338 2.077 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCCCn1cc[nH+]c1 ZINC000784960393 643190065 /nfs/dbraw/zinc/19/00/65/643190065.db2.gz SYJBYODNUJHUJR-UHFFFAOYSA-N 1 2 305.290 2.047 20 5 DEBDLO COc1cc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)cc([N+](=O)[O-])c1 ZINC000903159543 643271371 /nfs/dbraw/zinc/27/13/71/643271371.db2.gz YRYHARBRJMAZRX-UWVGGRQHSA-N 1 2 305.338 2.144 20 5 DEBDLO Nc1cc(COC(=O)CCNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000787592840 643513284 /nfs/dbraw/zinc/51/32/84/643513284.db2.gz UXCOJGCPYOOTOE-UHFFFAOYSA-N 1 2 316.317 2.117 20 5 DEBDLO Nc1cc(COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc[nH+]1 ZINC000792089437 644072517 /nfs/dbraw/zinc/07/25/17/644072517.db2.gz WHIUXPYBWPJEOS-UHFFFAOYSA-N 1 2 312.285 2.410 20 5 DEBDLO C[N@H+](CC[S@@](=O)C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000905905314 644078833 /nfs/dbraw/zinc/07/88/33/644078833.db2.gz PCLFNHBZDNWUFJ-HXUWFJFHSA-N 1 2 310.297 2.295 20 5 DEBDLO C[N@@H+](CC[S@@](=O)C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000905905314 644078835 /nfs/dbraw/zinc/07/88/35/644078835.db2.gz PCLFNHBZDNWUFJ-HXUWFJFHSA-N 1 2 310.297 2.295 20 5 DEBDLO COc1ccc(OC(=O)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000792589781 644129288 /nfs/dbraw/zinc/12/92/88/644129288.db2.gz JKGMHYCMLJVMSF-UHFFFAOYSA-N 1 2 305.290 2.186 20 5 DEBDLO COc1cc(C[NH2+]Cc2cccnc2F)c([N+](=O)[O-])cc1OC ZINC000793283949 644225430 /nfs/dbraw/zinc/22/54/30/644225430.db2.gz JBJAFAGNAYLZKV-UHFFFAOYSA-N 1 2 321.308 2.436 20 5 DEBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000794967469 644502147 /nfs/dbraw/zinc/50/21/47/644502147.db2.gz DEUJBBXJHJIPSX-PJXYFTJBSA-N 1 2 310.737 2.099 20 5 DEBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000794967469 644502152 /nfs/dbraw/zinc/50/21/52/644502152.db2.gz DEUJBBXJHJIPSX-PJXYFTJBSA-N 1 2 310.737 2.099 20 5 DEBDLO C[C@H](O)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000795632351 644608859 /nfs/dbraw/zinc/60/88/59/644608859.db2.gz XTOVNYWSHHGKPP-NSHDSACASA-N 1 2 319.317 2.098 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000797474289 644885060 /nfs/dbraw/zinc/88/50/60/644885060.db2.gz CCVNSHBDRWMKOK-CYBMUJFWSA-N 1 2 308.334 2.131 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000797474289 644885061 /nfs/dbraw/zinc/88/50/61/644885061.db2.gz CCVNSHBDRWMKOK-CYBMUJFWSA-N 1 2 308.334 2.131 20 5 DEBDLO O=C(OCCCCCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000803485136 645659956 /nfs/dbraw/zinc/65/99/56/645659956.db2.gz BRYHOZINLYHWPC-UHFFFAOYSA-N 1 2 319.317 2.100 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840160698 646191601 /nfs/dbraw/zinc/19/16/01/646191601.db2.gz RNYSIMBURANQQV-HNNXBMFYSA-N 1 2 324.381 2.111 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840160698 646191604 /nfs/dbraw/zinc/19/16/04/646191604.db2.gz RNYSIMBURANQQV-HNNXBMFYSA-N 1 2 324.381 2.111 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3C[C@@H]4C[C@H]3CS4)n2)c1 ZINC000840169535 646215085 /nfs/dbraw/zinc/21/50/85/646215085.db2.gz WMZCQETUIIFZLI-STQMWFEESA-N 1 2 317.374 2.001 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3C[C@@H]4C[C@H]3CS4)n2)c1 ZINC000840169535 646215087 /nfs/dbraw/zinc/21/50/87/646215087.db2.gz WMZCQETUIIFZLI-STQMWFEESA-N 1 2 317.374 2.001 20 5 DEBDLO Cc1ccc(N2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000917485261 648004639 /nfs/dbraw/zinc/00/46/39/648004639.db2.gz NPQXTESDARGKMT-UHFFFAOYSA-N 1 2 315.377 2.270 20 5 DEBDLO Cc1ccc(N2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000917485261 648004643 /nfs/dbraw/zinc/00/46/43/648004643.db2.gz NPQXTESDARGKMT-UHFFFAOYSA-N 1 2 315.377 2.270 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000857946595 652215761 /nfs/dbraw/zinc/21/57/61/652215761.db2.gz YJODJFINSQRXPK-VIFPVBQESA-N 1 2 320.736 2.190 20 5 DEBDLO CCc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857984071 652229897 /nfs/dbraw/zinc/22/98/97/652229897.db2.gz XKUUQBLBVKAVSF-LBPRGKRZSA-N 1 2 300.318 2.229 20 5 DEBDLO CCOCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000118152403 684070387 /nfs/dbraw/zinc/07/03/87/684070387.db2.gz HTUATCNQPMRHQU-UHFFFAOYSA-N 1 2 319.317 2.364 20 5 DEBDLO CC(=O)NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000135191055 684233169 /nfs/dbraw/zinc/23/31/69/684233169.db2.gz QAZTXRATZFRBRF-UHFFFAOYSA-N 1 2 311.769 2.349 20 5 DEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1Cl ZINC000861664335 686166560 /nfs/dbraw/zinc/16/65/60/686166560.db2.gz ITAXVTIZEANSNP-VIFPVBQESA-N 1 2 320.736 2.190 20 5 DEBDLO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)Cn1cc[nH+]c1 ZINC000865451652 687217240 /nfs/dbraw/zinc/21/72/40/687217240.db2.gz VOLKXGIIJVJVSY-JTQLQIEISA-N 1 2 308.313 2.171 20 5 DEBDLO C[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930325784 694137296 /nfs/dbraw/zinc/13/72/96/694137296.db2.gz MTAWABVLDZXEAK-UHFFFAOYSA-N 1 2 303.156 2.172 20 5 DEBDLO C[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930325784 694137298 /nfs/dbraw/zinc/13/72/98/694137298.db2.gz MTAWABVLDZXEAK-UHFFFAOYSA-N 1 2 303.156 2.172 20 5 DEBDLO CC[C@H]1COCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000872772219 689088997 /nfs/dbraw/zinc/08/89/97/689088997.db2.gz QTLJYLBKIHEFQM-NSHDSACASA-N 1 2 314.773 2.166 20 5 DEBDLO CC[C@H]1COCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000872772219 689088999 /nfs/dbraw/zinc/08/89/99/689088999.db2.gz QTLJYLBKIHEFQM-NSHDSACASA-N 1 2 314.773 2.166 20 5 DEBDLO CCOC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000877655698 690181339 /nfs/dbraw/zinc/18/13/39/690181339.db2.gz IFORWDYTFCCURB-CQSZACIVSA-N 1 2 308.378 2.449 20 5 DEBDLO CCOC[C@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000877655698 690181340 /nfs/dbraw/zinc/18/13/40/690181340.db2.gz IFORWDYTFCCURB-CQSZACIVSA-N 1 2 308.378 2.449 20 5 DEBDLO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C1CCC1 ZINC000878303807 690373624 /nfs/dbraw/zinc/37/36/24/690373624.db2.gz ZOLDNEXUHNSTIS-MRXNPFEDSA-N 1 2 315.373 2.106 20 5 DEBDLO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C1CCC1 ZINC000878303807 690373628 /nfs/dbraw/zinc/37/36/28/690373628.db2.gz ZOLDNEXUHNSTIS-MRXNPFEDSA-N 1 2 315.373 2.106 20 5 DEBDLO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000880183780 690832583 /nfs/dbraw/zinc/83/25/83/690832583.db2.gz ZSCDDBCTFRKBBK-ZBFHGGJFSA-N 1 2 320.345 2.218 20 5 DEBDLO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000880183780 690832586 /nfs/dbraw/zinc/83/25/86/690832586.db2.gz ZSCDDBCTFRKBBK-ZBFHGGJFSA-N 1 2 320.345 2.218 20 5 DEBDLO O=[N+]([O-])c1c(F)nccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000882129958 691222490 /nfs/dbraw/zinc/22/24/90/691222490.db2.gz JCLHASPQRDIKNU-JTQLQIEISA-N 1 2 303.297 2.215 20 5 DEBDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccnc1[N+](=O)[O-] ZINC000886297453 692048072 /nfs/dbraw/zinc/04/80/72/692048072.db2.gz RWFVFIIWZYYOFB-UHFFFAOYSA-N 1 2 324.381 2.336 20 5 DEBDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccnc1[N+](=O)[O-] ZINC000886297453 692048075 /nfs/dbraw/zinc/04/80/75/692048075.db2.gz RWFVFIIWZYYOFB-UHFFFAOYSA-N 1 2 324.381 2.336 20 5 DEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932341621 694595846 /nfs/dbraw/zinc/59/58/46/694595846.db2.gz INEFDADVXMHFIM-DGCLKSJQSA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCO[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932341621 694595849 /nfs/dbraw/zinc/59/58/49/694595849.db2.gz INEFDADVXMHFIM-DGCLKSJQSA-N 1 2 321.377 2.341 20 5 DEBDLO CC(C)(COC(=O)COc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001344105901 1150797027 /nfs/dbraw/zinc/79/70/27/1150797027.db2.gz BLAWBZKSCJTOED-UHFFFAOYSA-N 1 2 319.317 2.149 20 5 DEBDLO C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001347729705 1151093404 /nfs/dbraw/zinc/09/34/04/1151093404.db2.gz WPTDTRYXCSLKIR-LLVKDONJSA-N 1 2 302.334 2.404 20 5 DEBDLO Cc1c[nH+]c2cc(C(=O)NCc3cccc([N+](=O)[O-])c3)ccn12 ZINC001126247687 778631566 /nfs/dbraw/zinc/63/15/66/778631566.db2.gz SXQFKPMAMRRSID-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO CNc1cc([N+](=O)[O-])cnc1NCCc1cn2ccccc2[nH+]1 ZINC001169002889 784999537 /nfs/dbraw/zinc/99/95/37/784999537.db2.gz STTVBHYWAQSLGO-UHFFFAOYSA-N 1 2 312.333 2.334 20 5 DEBDLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170316957 786905645 /nfs/dbraw/zinc/90/56/45/786905645.db2.gz ATTZRSYATAAMBM-BXUZGUMPSA-N 1 2 324.377 2.466 20 5 DEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCSC[C@H]1CCO ZINC000689216000 787668631 /nfs/dbraw/zinc/66/86/31/787668631.db2.gz HUDARWGZXABCEA-GFCCVEGCSA-N 1 2 300.355 2.034 20 5 DEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCSC[C@H]1CCO ZINC000689216000 787668634 /nfs/dbraw/zinc/66/86/34/787668634.db2.gz HUDARWGZXABCEA-GFCCVEGCSA-N 1 2 300.355 2.034 20 5 DEBDLO Cc1cc(Cl)c(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001132510036 788111222 /nfs/dbraw/zinc/11/12/22/788111222.db2.gz VGNWGIWGAOBKBD-UHFFFAOYSA-N 1 2 308.725 2.220 20 5 DEBDLO O=C(C[N@@H+]1CCCC[C@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC001176970707 794543523 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DEBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001195677615 797937064 /nfs/dbraw/zinc/93/70/64/797937064.db2.gz ORHZMRRYKFTSJH-HNNXBMFYSA-N 1 2 307.394 2.463 20 5 DEBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001195677615 797937069 /nfs/dbraw/zinc/93/70/69/797937069.db2.gz ORHZMRRYKFTSJH-HNNXBMFYSA-N 1 2 307.394 2.463 20 5 DEBDLO CSc1nc(Cl)c([N+](=O)[O-])c(NC2C[NH+](C(C)C)C2)n1 ZINC001157525524 798222163 /nfs/dbraw/zinc/22/21/63/798222163.db2.gz DSCXHGVQIVOWRI-UHFFFAOYSA-N 1 2 317.802 2.265 20 5 DEBDLO COc1nc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC001158142083 798350365 /nfs/dbraw/zinc/35/03/65/798350365.db2.gz HJOZRRAMYYEDGR-UHFFFAOYSA-N 1 2 313.317 2.301 20 5 DEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCc1ccc2[nH+]ccn2c1 ZINC001163139778 799259520 /nfs/dbraw/zinc/25/95/20/799259520.db2.gz XQXQLHZOEZDDDB-UHFFFAOYSA-N 1 2 319.708 2.141 20 5 DEBDLO Cc1nc(NCCCN(C)c2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC001163996681 799475896 /nfs/dbraw/zinc/47/58/96/799475896.db2.gz OYUGOXNAMBYNJM-UHFFFAOYSA-N 1 2 302.338 2.027 20 5 DEBDLO O=[N+]([O-])c1cccc2ccc(N3CC[NH+](CCF)CC3)nc21 ZINC001165104609 799651392 /nfs/dbraw/zinc/65/13/92/799651392.db2.gz RRNSMVDGGGXUPR-UHFFFAOYSA-N 1 2 304.325 2.235 20 5 DEBDLO CC[NH+]1CC(Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229082095 801220844 /nfs/dbraw/zinc/22/08/44/801220844.db2.gz ZWGXHHOSYGPAJT-UHFFFAOYSA-N 1 2 301.140 2.440 20 5 DEBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218348153 802170826 /nfs/dbraw/zinc/17/08/26/802170826.db2.gz OECWKRKHCDXYOP-KGLIPLIRSA-N 1 2 322.361 2.175 20 5 DEBDLO O=[N+]([O-])c1c(O)cccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225619604 802991741 /nfs/dbraw/zinc/99/17/41/802991741.db2.gz DXQTUBRXFUCQKE-JOCQHMNTSA-N 1 2 322.361 2.323 20 5 DEBDLO C[N@@H+]1CCO[C@H](COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225953751 803034195 /nfs/dbraw/zinc/03/41/95/803034195.db2.gz OBTVXCLOUBXNIC-JTQLQIEISA-N 1 2 320.267 2.323 20 5 DEBDLO C[N@H+]1CCO[C@H](COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225953751 803034200 /nfs/dbraw/zinc/03/42/00/803034200.db2.gz OBTVXCLOUBXNIC-JTQLQIEISA-N 1 2 320.267 2.323 20 5 DEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001331021164 1149362019 /nfs/dbraw/zinc/36/20/19/1149362019.db2.gz ISYUDJAPSRYIHB-JTQLQIEISA-N 1 2 309.297 2.142 20 5 DEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@@H](CF)C1 ZINC001331021164 1149362023 /nfs/dbraw/zinc/36/20/23/1149362023.db2.gz ISYUDJAPSRYIHB-JTQLQIEISA-N 1 2 309.297 2.142 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001346747952 1151020662 /nfs/dbraw/zinc/02/06/62/1151020662.db2.gz NVAGUIBYSZXJHZ-UHFFFAOYSA-N 1 2 319.317 2.485 20 5 DEBDLO C[C@@]1(F)CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603809270 1070109545 /nfs/dbraw/zinc/10/95/45/1070109545.db2.gz FFIPDSZIRTUCBS-CQSZACIVSA-N 1 2 320.328 2.099 20 5 DEBDLO C[C@@]1(F)CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603809270 1070109551 /nfs/dbraw/zinc/10/95/51/1070109551.db2.gz FFIPDSZIRTUCBS-CQSZACIVSA-N 1 2 320.328 2.099 20 5 DEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001458616456 1058074819 /nfs/dbraw/zinc/07/48/19/1058074819.db2.gz WSRSXZLFLNXZOO-NSHDSACASA-N 1 2 324.337 2.026 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001465604600 1059334973 /nfs/dbraw/zinc/33/49/73/1059334973.db2.gz XSMUPMZKRQHDRN-OLZOCXBDSA-N 1 2 300.318 2.046 20 5 DEBDLO O=C(NCCc1[nH]cc[nH+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001628128571 1078290588 /nfs/dbraw/zinc/29/05/88/1078290588.db2.gz ZJCRPLPIHNTGCS-UHFFFAOYSA-N 1 2 314.345 2.099 20 5 DEBDLO CNC(=O)c1ccc(NCc2c[nH]c(C(C)C)[nH+]2)c([N+](=O)[O-])c1 ZINC001640459181 1078661978 /nfs/dbraw/zinc/66/19/78/1078661978.db2.gz SAULJHBFWOKFOS-UHFFFAOYSA-N 1 2 317.349 2.413 20 5 DEBDLO CNC(=O)c1ccc(NCc2c[nH+]c(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC001640459181 1078661980 /nfs/dbraw/zinc/66/19/80/1078661980.db2.gz SAULJHBFWOKFOS-UHFFFAOYSA-N 1 2 317.349 2.413 20 5 DEBDLO C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC001567229961 1075468536 /nfs/dbraw/zinc/46/85/36/1075468536.db2.gz OVYQEALGLVRRQB-WDEREUQCSA-N 1 2 307.350 2.359 20 5 DEBDLO Cc1[nH]c(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[nH+]c1C ZINC001587810419 1076427682 /nfs/dbraw/zinc/42/76/82/1076427682.db2.gz BTBCEJSJFGVUIF-UHFFFAOYSA-N 1 2 302.334 2.482 20 5 DEBDLO Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c([N+](=O)[O-])c1 ZINC001650878920 1079776936 /nfs/dbraw/zinc/77/69/36/1079776936.db2.gz WGRGASZURPCLRS-CQSZACIVSA-N 1 2 319.361 2.095 20 5 DEBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001652632164 1079889200 /nfs/dbraw/zinc/88/92/00/1079889200.db2.gz QGHNMNNMBWGFJR-UHFFFAOYSA-N 1 2 318.308 2.266 20 5 DEBDLO Nc1ccc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC001655382969 1079996597 /nfs/dbraw/zinc/99/65/97/1079996597.db2.gz ZDUZVGKKTHDTNQ-UHFFFAOYSA-N 1 2 313.292 2.293 20 5 DEBDLO COc1ncc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001657920811 1080189815 /nfs/dbraw/zinc/18/98/15/1080189815.db2.gz JAGHUBLBPXJIBZ-UHFFFAOYSA-N 1 2 319.346 2.226 20 5 DEBDLO Cc1c(NC(=O)NCc2ccc[nH+]c2N)cccc1[N+](=O)[O-] ZINC001667599037 1081266528 /nfs/dbraw/zinc/26/65/28/1081266528.db2.gz WJGGYZCIVQWAMP-UHFFFAOYSA-N 1 2 301.306 2.202 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001667717547 1081278042 /nfs/dbraw/zinc/27/80/42/1081278042.db2.gz HKBCJQHAMOFXHQ-LLVKDONJSA-N 1 2 303.322 2.310 20 5 DEBDLO O=[N+]([O-])c1cc(CO)c(NCc2[nH]c3c([nH+]2)CCCC3)cc1F ZINC001307219149 1139827413 /nfs/dbraw/zinc/82/74/13/1139827413.db2.gz VEXAQTGSPCMRCC-UHFFFAOYSA-N 1 2 320.324 2.440 20 5 DEBDLO CC(C)N1CCC[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001324185047 1142025553 /nfs/dbraw/zinc/02/55/53/1142025553.db2.gz BTMSWTTYSJHARQ-OAHLLOKOSA-N 1 2 303.362 2.310 20 5 DEBDLO CC(C)N1CCC[C@@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001324185047 1142025565 /nfs/dbraw/zinc/02/55/65/1142025565.db2.gz BTMSWTTYSJHARQ-OAHLLOKOSA-N 1 2 303.362 2.310 20 5 DEBDLO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])c(C)n3)[nH+]c12 ZINC001324487018 1142087341 /nfs/dbraw/zinc/08/73/41/1142087341.db2.gz UPDZPESQTFUAJA-UHFFFAOYSA-N 1 2 312.333 2.304 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306876107 1147391828 /nfs/dbraw/zinc/39/18/28/1147391828.db2.gz VTAQGIRGDUXTCD-JTQLQIEISA-N 1 2 306.709 2.320 20 5 DEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccnn1C ZINC001308016563 1147443435 /nfs/dbraw/zinc/44/34/35/1147443435.db2.gz OUOMBKKGGRCYSU-SECBINFHSA-N 1 2 305.294 2.087 20 5 DEBDLO CNC(=O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413142387 529922963 /nfs/dbraw/zinc/92/29/63/529922963.db2.gz KQPBFZGCDCYLFM-LBPRGKRZSA-N 1 2 314.345 2.105 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413140405 530026627 /nfs/dbraw/zinc/02/66/27/530026627.db2.gz GGBRGLCEMMTWGE-UHFFFAOYSA-N 1 2 301.228 2.368 20 5 DEBDLO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000118847704 539442775 /nfs/dbraw/zinc/44/27/75/539442775.db2.gz PAXAIZNKWXIADU-UHFFFAOYSA-N 1 2 320.374 2.175 20 5 DEBDLO COc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000615787917 362702930 /nfs/dbraw/zinc/70/29/30/362702930.db2.gz PHXYDWYUBJDXKD-JTQLQIEISA-N 1 2 316.317 2.001 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000595499439 358465608 /nfs/dbraw/zinc/46/56/08/358465608.db2.gz YQXNEXDGUGSQGF-JTQLQIEISA-N 1 2 304.268 2.183 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000595499439 358465612 /nfs/dbraw/zinc/46/56/12/358465612.db2.gz YQXNEXDGUGSQGF-JTQLQIEISA-N 1 2 304.268 2.183 20 5 DEBDLO C[C@H]1C[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032393068 354147612 /nfs/dbraw/zinc/14/76/12/354147612.db2.gz OKLVYVUAAAFTTR-CMPLNLGQSA-N 1 2 300.318 2.166 20 5 DEBDLO CCOc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000042512569 354197832 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O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000589187252 357451407 /nfs/dbraw/zinc/45/14/07/357451407.db2.gz ZLVQFDIKQHNVDJ-OUYDUGFISA-N 1 2 318.373 2.488 20 5 DEBDLO CC(C)c1[nH]nc(C(=O)Nc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000590342933 357535265 /nfs/dbraw/zinc/53/52/65/357535265.db2.gz PYGAPUVAVUXOFZ-UHFFFAOYSA-N 1 2 314.305 2.341 20 5 DEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590552394 357556029 /nfs/dbraw/zinc/55/60/29/357556029.db2.gz JSOGVRKSQBSEDI-UHFFFAOYSA-N 1 2 306.709 2.170 20 5 DEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590552394 357556035 /nfs/dbraw/zinc/55/60/35/357556035.db2.gz JSOGVRKSQBSEDI-UHFFFAOYSA-N 1 2 306.709 2.170 20 5 DEBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)CO1 ZINC000593063868 357998970 /nfs/dbraw/zinc/99/89/70/357998970.db2.gz QAUYEMYQBJXGKS-ABAIWWIYSA-N 1 2 322.361 2.461 20 5 DEBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)CO1 ZINC000593063868 357998975 /nfs/dbraw/zinc/99/89/75/357998975.db2.gz QAUYEMYQBJXGKS-ABAIWWIYSA-N 1 2 322.361 2.461 20 5 DEBDLO COc1ccc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000593734064 358132315 /nfs/dbraw/zinc/13/23/15/358132315.db2.gz MSBIZUBFCSARRT-UHFFFAOYSA-N 1 2 318.333 2.300 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598463999 359208705 /nfs/dbraw/zinc/20/87/05/359208705.db2.gz DSQISNLJSWYOBT-DDTOSNHZSA-N 1 2 314.345 2.309 20 5 DEBDLO Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000429554878 237442100 /nfs/dbraw/zinc/44/21/00/237442100.db2.gz UQWWUUYBJBVIPZ-LBPRGKRZSA-N 1 2 315.333 2.236 20 5 DEBDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602684391 360497210 /nfs/dbraw/zinc/49/72/10/360497210.db2.gz XIUQXOPNOQFTMO-SNVBAGLBSA-N 1 2 317.267 2.063 20 5 DEBDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602684391 360497213 /nfs/dbraw/zinc/49/72/13/360497213.db2.gz XIUQXOPNOQFTMO-SNVBAGLBSA-N 1 2 317.267 2.063 20 5 DEBDLO CC[C@]1(O)CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000602983079 360654036 /nfs/dbraw/zinc/65/40/36/360654036.db2.gz ANLKDGBOALZSEC-INIZCTEOSA-N 1 2 321.377 2.079 20 5 DEBDLO CC[C@]1(O)CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000602983079 360654041 /nfs/dbraw/zinc/65/40/41/360654041.db2.gz ANLKDGBOALZSEC-INIZCTEOSA-N 1 2 321.377 2.079 20 5 DEBDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444685155 238245853 /nfs/dbraw/zinc/24/58/53/238245853.db2.gz QHBDJUGDRAZHRX-SNVBAGLBSA-N 1 2 314.349 2.398 20 5 DEBDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444685155 238245866 /nfs/dbraw/zinc/24/58/66/238245866.db2.gz QHBDJUGDRAZHRX-SNVBAGLBSA-N 1 2 314.349 2.398 20 5 DEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609448021 361312364 /nfs/dbraw/zinc/31/23/64/361312364.db2.gz LKLQXJMZHBUMOM-ZDUSSCGKSA-N 1 2 318.308 2.408 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@H]21 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403413314 /nfs/dbraw/zinc/41/33/14/403413314.db2.gz DFGTZHLGZSRNES-UHFFFAOYSA-N 1 2 300.318 2.195 20 5 DEBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000343366000 403556483 /nfs/dbraw/zinc/55/64/83/403556483.db2.gz NHZKQGFCPRIYNX-UHFFFAOYSA-N 1 2 323.312 2.487 20 5 DEBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000293983413 403615844 /nfs/dbraw/zinc/61/58/44/403615844.db2.gz DZCLXQGTVNSSCH-AWEZNQCLSA-N 1 2 318.381 2.235 20 5 DEBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000293983413 403615845 /nfs/dbraw/zinc/61/58/45/403615845.db2.gz DZCLXQGTVNSSCH-AWEZNQCLSA-N 1 2 318.381 2.235 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000340474163 403622919 /nfs/dbraw/zinc/62/29/19/403622919.db2.gz QVXGGAQEJJQKSC-HNNXBMFYSA-N 1 2 324.344 2.030 20 5 DEBDLO COC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347329511 403666518 /nfs/dbraw/zinc/66/65/18/403666518.db2.gz CKWXGEVLJYHFNR-OIQJVACTSA-N 1 2 306.362 2.345 20 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DEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824811201 648655848 /nfs/dbraw/zinc/65/58/48/648655848.db2.gz XRFHCEPNSCVVCS-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000844456581 651131531 /nfs/dbraw/zinc/13/15/31/651131531.db2.gz ZLXKXBODUMNMMG-PHIMTYICSA-N 1 2 322.271 2.342 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000844456581 651131532 /nfs/dbraw/zinc/13/15/32/651131532.db2.gz ZLXKXBODUMNMMG-PHIMTYICSA-N 1 2 322.271 2.342 20 5 DEBDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850499474 651940592 /nfs/dbraw/zinc/94/05/92/651940592.db2.gz QFWQYMDKCZNZCM-PTRXPTGYSA-N 1 2 302.338 2.125 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000857948858 652216456 /nfs/dbraw/zinc/21/64/56/652216456.db2.gz RWWIRSVWIKGAKR-SECBINFHSA-N 1 2 320.736 2.190 20 5 DEBDLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000119796313 684087228 /nfs/dbraw/zinc/08/72/28/684087228.db2.gz GYOOEVFRXTYZQQ-AWEZNQCLSA-N 1 2 315.377 2.479 20 5 DEBDLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000119796313 684087233 /nfs/dbraw/zinc/08/72/33/684087233.db2.gz GYOOEVFRXTYZQQ-AWEZNQCLSA-N 1 2 315.377 2.479 20 5 DEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000929215476 693917787 /nfs/dbraw/zinc/91/77/87/693917787.db2.gz NOAGFQPNUPQREE-LLVKDONJSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000929215476 693917788 /nfs/dbraw/zinc/91/77/88/693917788.db2.gz NOAGFQPNUPQREE-LLVKDONJSA-N 1 2 315.167 2.314 20 5 DEBDLO C[C@](CO)([NH2+]Cc1cn(C2CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000865704669 687307102 /nfs/dbraw/zinc/30/71/02/687307102.db2.gz XAKOJAJGMMLZEW-MRXNPFEDSA-N 1 2 316.361 2.124 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000871610602 688823011 /nfs/dbraw/zinc/82/30/11/688823011.db2.gz KATGFNNQYKQLCZ-JOCHJYFZSA-N 1 2 322.390 2.060 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874895111 689532959 /nfs/dbraw/zinc/53/29/59/689532959.db2.gz RHJRALGLYSWQRL-GFCCVEGCSA-N 1 2 319.292 2.114 20 5 DEBDLO CC[C@H](C)C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC ZINC000877603640 690165303 /nfs/dbraw/zinc/16/53/03/690165303.db2.gz RNAMJYOXDWIKRW-DLOFLVKXSA-N 1 2 324.381 2.062 20 5 DEBDLO Cc1cc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])no1 ZINC000877921919 690261172 /nfs/dbraw/zinc/26/11/72/690261172.db2.gz NCDXNMPNHSOXTG-ZDUSSCGKSA-N 1 2 305.338 2.233 20 5 DEBDLO Cc1cc([C@@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])no1 ZINC000877921919 690261177 /nfs/dbraw/zinc/26/11/77/690261177.db2.gz NCDXNMPNHSOXTG-ZDUSSCGKSA-N 1 2 305.338 2.233 20 5 DEBDLO CC1(C)C[C@@H](O)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879621200 690690567 /nfs/dbraw/zinc/69/05/67/690690567.db2.gz BDFUDZMHWLYOLL-LLVKDONJSA-N 1 2 304.350 2.064 20 5 DEBDLO CC1(C)C[C@@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879621200 690690569 /nfs/dbraw/zinc/69/05/69/690690569.db2.gz BDFUDZMHWLYOLL-LLVKDONJSA-N 1 2 304.350 2.064 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001332836955 1149898633 /nfs/dbraw/zinc/89/86/33/1149898633.db2.gz BNUHSKZJGRXQCJ-UGFHNGPFSA-N 1 2 314.345 2.100 20 5 DEBDLO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)n1cc[nH+]c1 ZINC001332227000 1149837872 /nfs/dbraw/zinc/83/78/72/1149837872.db2.gz YCVSVHZQQPSFSU-VIFPVBQESA-N 1 2 308.725 2.322 20 5 DEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170352886 786916751 /nfs/dbraw/zinc/91/67/51/786916751.db2.gz SYCAKOQMBITXTM-QWHCGFSZSA-N 1 2 307.394 2.170 20 5 DEBDLO COc1ccc(C[C@H](C)[N@H+]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170352886 786916759 /nfs/dbraw/zinc/91/67/59/786916759.db2.gz SYCAKOQMBITXTM-QWHCGFSZSA-N 1 2 307.394 2.170 20 5 DEBDLO C[N@@H+]1CC[C@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000712591972 792192684 /nfs/dbraw/zinc/19/26/84/792192684.db2.gz ORUSZUDANRJCGS-QMMMGPOBSA-N 1 2 300.156 2.473 20 5 DEBDLO C[N@H+]1CC[C@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000712591972 792192689 /nfs/dbraw/zinc/19/26/89/792192689.db2.gz ORUSZUDANRJCGS-QMMMGPOBSA-N 1 2 300.156 2.473 20 5 DEBDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001121285226 795611923 /nfs/dbraw/zinc/61/19/23/795611923.db2.gz NJZSHUHKKUCPIN-YNEHKIRRSA-N 1 2 320.393 2.009 20 5 DEBDLO C[NH+](C)C1(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CC1 ZINC001182601383 795718514 /nfs/dbraw/zinc/71/85/14/795718514.db2.gz TZVGQFFGEYOGBJ-UHFFFAOYSA-N 1 2 321.380 2.423 20 5 DEBDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001155194568 797705122 /nfs/dbraw/zinc/70/51/22/797705122.db2.gz UUELWMMHANSQOZ-ZETCQYMHSA-N 1 2 321.164 2.039 20 5 DEBDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001155194568 797705126 /nfs/dbraw/zinc/70/51/26/797705126.db2.gz UUELWMMHANSQOZ-ZETCQYMHSA-N 1 2 321.164 2.039 20 5 DEBDLO CCN(CCn1cc[nH+]c1)c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157459972 798209575 /nfs/dbraw/zinc/20/95/75/798209575.db2.gz PAVWKBBWXSCOBN-UHFFFAOYSA-N 1 2 312.333 2.261 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000934329553 800327109 /nfs/dbraw/zinc/32/71/09/800327109.db2.gz ZOIBFIZIJDFQEF-CYBMUJFWSA-N 1 2 315.377 2.039 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000934329553 800327114 /nfs/dbraw/zinc/32/71/14/800327114.db2.gz ZOIBFIZIJDFQEF-CYBMUJFWSA-N 1 2 315.377 2.039 20 5 DEBDLO C[N@@H+]1CCO[C@@H](COc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227214015 803216186 /nfs/dbraw/zinc/21/61/86/803216186.db2.gz FHMBXJPXUZYIKT-CYBMUJFWSA-N 1 2 302.330 2.457 20 5 DEBDLO C[N@H+]1CCO[C@@H](COc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227214015 803216189 /nfs/dbraw/zinc/21/61/89/803216189.db2.gz FHMBXJPXUZYIKT-CYBMUJFWSA-N 1 2 302.330 2.457 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454149861 1057447462 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2.194 20 5 DEBDLO Cc1cc(Cl)c(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001629322593 1078314227 /nfs/dbraw/zinc/31/42/27/1078314227.db2.gz FKCMEGNMRQYEPN-UHFFFAOYSA-N 1 2 308.725 2.252 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC001631471604 1078365351 /nfs/dbraw/zinc/36/53/51/1078365351.db2.gz PEOJHPIXECDXPU-UHFFFAOYSA-N 1 2 315.333 2.041 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001633835283 1078414373 /nfs/dbraw/zinc/41/43/73/1078414373.db2.gz YMIZUYXKBOIMJS-YUSALJHKSA-N 1 2 300.318 2.299 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC001633835283 1078414374 /nfs/dbraw/zinc/41/43/74/1078414374.db2.gz YMIZUYXKBOIMJS-YUSALJHKSA-N 1 2 300.318 2.299 20 5 DEBDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603588 1075101020 /nfs/dbraw/zinc/10/10/20/1075101020.db2.gz UQQVEHXXPVUUJA-JTQLQIEISA-N 1 2 302.334 2.089 20 5 DEBDLO Cn1cc([N+](=O)[O-])c(NCc2cccc(Cn3cc[nH+]c3)c2)n1 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CC1(F)CC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000452280254 535174928 /nfs/dbraw/zinc/17/49/28/535174928.db2.gz QGUUGRVJLACMCI-UHFFFAOYSA-N 1 2 318.308 2.401 20 5 DEBDLO CCn1cnc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000933253607 624128364 /nfs/dbraw/zinc/12/83/64/624128364.db2.gz HESYVURBAHWOIK-UHFFFAOYSA-N 1 2 316.361 2.378 20 5 DEBDLO CCn1cnc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000933253607 624128365 /nfs/dbraw/zinc/12/83/65/624128365.db2.gz HESYVURBAHWOIK-UHFFFAOYSA-N 1 2 316.361 2.378 20 5 DEBDLO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000891566695 624479365 /nfs/dbraw/zinc/47/93/65/624479365.db2.gz IUKSJMQDHOGVKM-RBSFLKMASA-N 1 2 319.405 2.252 20 5 DEBDLO C[C@H](O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235543021 625876836 /nfs/dbraw/zinc/87/68/36/625876836.db2.gz OFUOHVYRLNCHIB-QMMMGPOBSA-N 1 2 303.156 2.170 20 5 DEBDLO C[C@H](O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235543021 625876841 /nfs/dbraw/zinc/87/68/41/625876841.db2.gz OFUOHVYRLNCHIB-QMMMGPOBSA-N 1 2 303.156 2.170 20 5 DEBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001002198471 635645218 /nfs/dbraw/zinc/64/52/18/635645218.db2.gz SYWPRALFQRWAQB-UHFFFAOYSA-N 1 2 319.333 2.002 20 5 DEBDLO COCCC1(C)C[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894840400 637246659 /nfs/dbraw/zinc/24/66/59/637246659.db2.gz OJKDHCDPIHJEFY-UHFFFAOYSA-N 1 2 310.350 2.167 20 5 DEBDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029216533 637428712 /nfs/dbraw/zinc/42/87/12/637428712.db2.gz NNWVPXLVAIIEHA-GASCZTMLSA-N 1 2 317.389 2.426 20 5 DEBDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029216533 637428718 /nfs/dbraw/zinc/42/87/18/637428718.db2.gz NNWVPXLVAIIEHA-GASCZTMLSA-N 1 2 317.389 2.426 20 5 DEBDLO Cc1cnc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000749436662 638648544 /nfs/dbraw/zinc/64/85/44/638648544.db2.gz OQRVUQUKZAAKOA-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO CC(C)[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000192795720 641531240 /nfs/dbraw/zinc/53/12/40/641531240.db2.gz DXEGPVMIFQEFGZ-UHFFFAOYSA-N 1 2 303.318 2.021 20 5 DEBDLO CC(C)[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000192795720 641531244 /nfs/dbraw/zinc/53/12/44/641531244.db2.gz DXEGPVMIFQEFGZ-UHFFFAOYSA-N 1 2 303.318 2.021 20 5 DEBDLO Cc1nn(C[N@@H+]2CCOCC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000774658584 641938087 /nfs/dbraw/zinc/93/80/87/641938087.db2.gz OEIPTTSJBSLPGB-UHFFFAOYSA-N 1 2 308.382 2.258 20 5 DEBDLO Cc1nn(C[N@H+]2CCOCC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000774658584 641938093 /nfs/dbraw/zinc/93/80/93/641938093.db2.gz OEIPTTSJBSLPGB-UHFFFAOYSA-N 1 2 308.382 2.258 20 5 DEBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842346520 650714714 /nfs/dbraw/zinc/71/47/14/650714714.db2.gz MIMMNMYYTBWGJW-SOUVJXGZSA-N 1 2 322.336 2.285 20 5 DEBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842346520 650714715 /nfs/dbraw/zinc/71/47/15/650714715.db2.gz MIMMNMYYTBWGJW-SOUVJXGZSA-N 1 2 322.336 2.285 20 5 DEBDLO CCOC(=O)C[N@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579143 642187414 /nfs/dbraw/zinc/18/74/14/642187414.db2.gz KJDHUFYFZCMCNB-OAHLLOKOSA-N 1 2 324.377 2.149 20 5 DEBDLO CCOC(=O)C[N@@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579143 642187416 /nfs/dbraw/zinc/18/74/16/642187416.db2.gz KJDHUFYFZCMCNB-OAHLLOKOSA-N 1 2 324.377 2.149 20 5 DEBDLO CN(C)c1cc(COC(=O)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000782147559 642831178 /nfs/dbraw/zinc/83/11/78/642831178.db2.gz TWHXYGHUIQLJNU-UHFFFAOYSA-N 1 2 301.302 2.413 20 5 DEBDLO Nc1cc(COC(=O)CCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000792009764 644061132 /nfs/dbraw/zinc/06/11/32/644061132.db2.gz CDIMRLMSVMWBIC-UHFFFAOYSA-N 1 2 301.302 2.248 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000793244519 644214694 /nfs/dbraw/zinc/21/46/94/644214694.db2.gz ZYYCTQJNKQHZOF-UHFFFAOYSA-N 1 2 321.358 2.450 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000793249504 644215631 /nfs/dbraw/zinc/21/56/31/644215631.db2.gz ILFMNXDFOKLVBO-UHFFFAOYSA-N 1 2 314.301 2.209 20 5 DEBDLO CSc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000793249719 644216033 /nfs/dbraw/zinc/21/60/33/644216033.db2.gz AVEVOEQSLOEGCH-UHFFFAOYSA-N 1 2 321.358 2.450 20 5 DEBDLO CC(C)(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000912617371 646113003 /nfs/dbraw/zinc/11/30/03/646113003.db2.gz RWQOSVZWBALKIF-VMPITWQZSA-N 1 2 314.345 2.356 20 5 DEBDLO C[C@@](CO)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000809570046 646238025 /nfs/dbraw/zinc/23/80/25/646238025.db2.gz NXUALTGSZMSOAY-INIZCTEOSA-N 1 2 320.320 2.437 20 5 DEBDLO CS[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172842 646743311 /nfs/dbraw/zinc/74/33/11/646743311.db2.gz RDBRZDYDUHLTIJ-FZMZJTMJSA-N 1 2 324.402 2.464 20 5 DEBDLO CS[C@@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172842 646743314 /nfs/dbraw/zinc/74/33/14/646743314.db2.gz RDBRZDYDUHLTIJ-FZMZJTMJSA-N 1 2 324.402 2.464 20 5 DEBDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000184202739 649246116 /nfs/dbraw/zinc/24/61/16/649246116.db2.gz DTVAJDGLPLBOGC-VIFPVBQESA-N 1 2 320.374 2.309 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)n2)c1 ZINC000844754793 651165779 /nfs/dbraw/zinc/16/57/79/651165779.db2.gz QFYCRVCVKXHQFE-TXEJJXNPSA-N 1 2 321.287 2.008 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)n2)c1 ZINC000844754793 651165781 /nfs/dbraw/zinc/16/57/81/651165781.db2.gz QFYCRVCVKXHQFE-TXEJJXNPSA-N 1 2 321.287 2.008 20 5 DEBDLO COC[C@H]1CC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848490165 651463065 /nfs/dbraw/zinc/46/30/65/651463065.db2.gz MNKACHLHBWHEBZ-CYBMUJFWSA-N 1 2 302.334 2.137 20 5 DEBDLO COC[C@H]1CC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848490165 651463066 /nfs/dbraw/zinc/46/30/66/651463066.db2.gz MNKACHLHBWHEBZ-CYBMUJFWSA-N 1 2 302.334 2.137 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000857976765 652227081 /nfs/dbraw/zinc/22/70/81/652227081.db2.gz LHDVZWOQQCUQDL-BFHYXJOUSA-N 1 2 312.329 2.156 20 5 DEBDLO Cc1nn(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000853572265 652570633 /nfs/dbraw/zinc/57/06/33/652570633.db2.gz QXJRWPPBKSBESM-HNNXBMFYSA-N 1 2 308.382 2.338 20 5 DEBDLO C[N@H+](C[C@@H]1CC1(C)C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853627480 652580771 /nfs/dbraw/zinc/58/07/71/652580771.db2.gz WHFRQWSXILKNQG-JTQLQIEISA-N 1 2 317.345 2.126 20 5 DEBDLO C[N@@H+](C[C@@H]1CC1(C)C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853627480 652580774 /nfs/dbraw/zinc/58/07/74/652580774.db2.gz WHFRQWSXILKNQG-JTQLQIEISA-N 1 2 317.345 2.126 20 5 DEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[NH+]1CCCCCCC1 ZINC000042910170 683898676 /nfs/dbraw/zinc/89/86/76/683898676.db2.gz IJMSFZNWYJUJPH-UHFFFAOYSA-N 1 2 317.345 2.414 20 5 DEBDLO CC[N@H+](CC1CC1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000133134149 684216901 /nfs/dbraw/zinc/21/69/01/684216901.db2.gz YEUIPORYXFDJDJ-UHFFFAOYSA-N 1 2 318.333 2.101 20 5 DEBDLO CC[N@@H+](CC1CC1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000133134149 684216904 /nfs/dbraw/zinc/21/69/04/684216904.db2.gz YEUIPORYXFDJDJ-UHFFFAOYSA-N 1 2 318.333 2.101 20 5 DEBDLO COc1ccc(Br)cc1C[N@H+](C)CC[N+](=O)[O-] ZINC000929213870 693917515 /nfs/dbraw/zinc/91/75/15/693917515.db2.gz SPSNSCKFTZKSLH-UHFFFAOYSA-N 1 2 303.156 2.166 20 5 DEBDLO COc1ccc(Br)cc1C[N@@H+](C)CC[N+](=O)[O-] ZINC000929213870 693917519 /nfs/dbraw/zinc/91/75/19/693917519.db2.gz SPSNSCKFTZKSLH-UHFFFAOYSA-N 1 2 303.156 2.166 20 5 DEBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929719878 694012690 /nfs/dbraw/zinc/01/26/90/694012690.db2.gz QXLDALWOYRPKGQ-HNNXBMFYSA-N 1 2 313.348 2.310 20 5 DEBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+](C1CC1)C1CC1 ZINC000863303132 686472430 /nfs/dbraw/zinc/47/24/30/686472430.db2.gz QBQMLORDWKHJFO-INIZCTEOSA-N 1 2 317.345 2.116 20 5 DEBDLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044853 688918550 /nfs/dbraw/zinc/91/85/50/688918550.db2.gz GHLVOAGVYNORRL-JTQLQIEISA-N 1 2 309.341 2.443 20 5 DEBDLO COc1ccc(Br)cc1C1([NH2+]CC[N+](=O)[O-])CC1 ZINC000930815439 694248689 /nfs/dbraw/zinc/24/86/89/694248689.db2.gz TUYWUNBJAKJIDW-UHFFFAOYSA-N 1 2 315.167 2.313 20 5 DEBDLO CC[C@@H]1COCC[N@@H+]1CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000872772084 689088717 /nfs/dbraw/zinc/08/87/17/689088717.db2.gz PTENBYMGXHRKJH-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO CC[C@@H]1COCC[N@H+]1CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000872772084 689088720 /nfs/dbraw/zinc/08/87/20/689088720.db2.gz PTENBYMGXHRKJH-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO C[C@](CO)([NH2+]Cc1cc(F)ncc1F)c1cccc([N+](=O)[O-])c1 ZINC000877690795 690192146 /nfs/dbraw/zinc/19/21/46/690192146.db2.gz HNEMWNXWESQXKQ-OAHLLOKOSA-N 1 2 323.299 2.265 20 5 DEBDLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039491797 691118722 /nfs/dbraw/zinc/11/87/22/691118722.db2.gz SOFDNKGSOWLZSX-GASCZTMLSA-N 1 2 303.362 2.180 20 5 DEBDLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039491797 691118726 /nfs/dbraw/zinc/11/87/26/691118726.db2.gz SOFDNKGSOWLZSX-GASCZTMLSA-N 1 2 303.362 2.180 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000886029721 691987562 /nfs/dbraw/zinc/98/75/62/691987562.db2.gz ACBWXWWGUCDPHF-HUUCEWRRSA-N 1 2 320.393 2.211 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000886029721 691987564 /nfs/dbraw/zinc/98/75/64/691987564.db2.gz ACBWXWWGUCDPHF-HUUCEWRRSA-N 1 2 320.393 2.211 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886813585 692197344 /nfs/dbraw/zinc/19/73/44/692197344.db2.gz PMINZUKADKLEST-GFCCVEGCSA-N 1 2 322.258 2.481 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886813585 692197349 /nfs/dbraw/zinc/19/73/49/692197349.db2.gz PMINZUKADKLEST-GFCCVEGCSA-N 1 2 322.258 2.481 20 5 DEBDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000887403506 692356074 /nfs/dbraw/zinc/35/60/74/692356074.db2.gz YBUWZNKDSRGEGG-LBPRGKRZSA-N 1 2 302.334 2.101 20 5 DEBDLO COc1cc2c(cc1OC)C1(CCC1)[N@H+](CC[N+](=O)[O-])CC2 ZINC000932080910 694544022 /nfs/dbraw/zinc/54/40/22/694544022.db2.gz OPSIPRTUCCDPAC-UHFFFAOYSA-N 1 2 306.362 2.218 20 5 DEBDLO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CC[N+](=O)[O-])CC2 ZINC000932080910 694544024 /nfs/dbraw/zinc/54/40/24/694544024.db2.gz OPSIPRTUCCDPAC-UHFFFAOYSA-N 1 2 306.362 2.218 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)NCCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000896694278 693008740 /nfs/dbraw/zinc/00/87/40/693008740.db2.gz VJRXKXCPPZQJBN-UHFFFAOYSA-N 1 2 316.361 2.194 20 5 DEBDLO COC(=O)[C@H]1[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC001353580909 1151840105 /nfs/dbraw/zinc/84/01/05/1151840105.db2.gz DDAXRUMKEQMHNZ-ZYHUDNBSSA-N 1 2 314.288 2.081 20 5 DEBDLO COC(=O)[C@H]1[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC001353580909 1151840107 /nfs/dbraw/zinc/84/01/07/1151840107.db2.gz DDAXRUMKEQMHNZ-ZYHUDNBSSA-N 1 2 314.288 2.081 20 5 DEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC001356541892 1152088033 /nfs/dbraw/zinc/08/80/33/1152088033.db2.gz DDPBHQLIEMWYSL-UHFFFAOYSA-N 1 2 313.273 2.329 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001123467687 783013227 /nfs/dbraw/zinc/01/32/27/783013227.db2.gz FPLPQWHNRBHFKV-UHFFFAOYSA-N 1 2 305.290 2.177 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@@H]1COCC[N@@H+]1C ZINC001169661337 785292591 /nfs/dbraw/zinc/29/25/91/785292591.db2.gz YCIUNWDGRJDSJD-CYBMUJFWSA-N 1 2 323.393 2.433 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@@H]1COCC[N@H+]1C ZINC001169661337 785292596 /nfs/dbraw/zinc/29/25/96/785292596.db2.gz YCIUNWDGRJDSJD-CYBMUJFWSA-N 1 2 323.393 2.433 20 5 DEBDLO Cc1[nH]c(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001149394202 791147433 /nfs/dbraw/zinc/14/74/33/791147433.db2.gz DRPGKSKZORNPIP-UHFFFAOYSA-N 1 2 320.374 2.343 20 5 DEBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c1 ZINC001175734762 794273784 /nfs/dbraw/zinc/27/37/84/794273784.db2.gz BUGHSYYVWFZLJP-LBPRGKRZSA-N 1 2 318.308 2.444 20 5 DEBDLO C[C@H](C[NH+]1CCOCC1)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229344035 801261625 /nfs/dbraw/zinc/26/16/25/801261625.db2.gz NLVQIJGKMYBMBF-GFCCVEGCSA-N 1 2 317.345 2.243 20 5 DEBDLO O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1CCCC[NH2+]C1 ZINC001217970042 802125079 /nfs/dbraw/zinc/12/50/79/802125079.db2.gz HHBACFMOXSMEGA-ZETCQYMHSA-N 1 2 321.255 2.235 20 5 DEBDLO CON(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC001328201771 1148740010 /nfs/dbraw/zinc/74/00/10/1148740010.db2.gz PZGMFMRYJIVHSX-UHFFFAOYSA-N 1 2 304.306 2.193 20 5 DEBDLO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001453392093 1057277817 /nfs/dbraw/zinc/27/78/17/1057277817.db2.gz AXNZLDHXRWXRHZ-LBPRGKRZSA-N 1 2 321.377 2.151 20 5 DEBDLO Cn1c[nH+]c(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1 ZINC001458432318 1058062549 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318.333 2.208 20 5 DEBDLO C[C@@](CO)([NH2+]Cc1cnc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC001644141215 1078831475 /nfs/dbraw/zinc/83/14/75/1078831475.db2.gz IFXVJENECYDWMU-AWEZNQCLSA-N 1 2 322.752 2.036 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1Cl ZINC001647819419 1074982025 /nfs/dbraw/zinc/98/20/25/1074982025.db2.gz AIJVKCAERNFSRU-NSHDSACASA-N 1 2 306.709 2.320 20 5 DEBDLO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCn2c[nH+]cc21 ZINC001557692909 1075071718 /nfs/dbraw/zinc/07/17/18/1075071718.db2.gz ILNXASNIZFDSBT-LLVKDONJSA-N 1 2 320.736 2.248 20 5 DEBDLO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1noc(C)n1 ZINC001559736553 1075127760 /nfs/dbraw/zinc/12/77/60/1075127760.db2.gz OAMMEAUZQIWREL-CHWSQXEVSA-N 1 2 306.322 2.061 20 5 DEBDLO Cc1[nH]c(CNC(=O)CCOc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001566257958 1075239006 /nfs/dbraw/zinc/23/90/06/1075239006.db2.gz MNLMHIIRMMLSBW-UHFFFAOYSA-N 1 2 318.333 2.020 20 5 DEBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001586295096 1076395691 /nfs/dbraw/zinc/39/56/91/1076395691.db2.gz ALJVMNAGBDRLAW-UHFFFAOYSA-N 1 2 312.688 2.083 20 5 DEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncccc3F)C2)nc1 ZINC001658275108 1080203992 /nfs/dbraw/zinc/20/39/92/1080203992.db2.gz XHQZOAYFKOZMIM-LLVKDONJSA-N 1 2 317.324 2.210 20 5 DEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncccc3F)C2)nc1 ZINC001658275108 1080203995 /nfs/dbraw/zinc/20/39/95/1080203995.db2.gz XHQZOAYFKOZMIM-LLVKDONJSA-N 1 2 317.324 2.210 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(Cl)nn1 ZINC001658589677 1080212435 /nfs/dbraw/zinc/21/24/35/1080212435.db2.gz IBKTYBODOLTLOW-UHFFFAOYSA-N 1 2 308.725 2.337 20 5 DEBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC001322156412 1141418379 /nfs/dbraw/zinc/41/83/79/1141418379.db2.gz DAQJDWHBMDNZRO-UHFFFAOYSA-N 1 2 303.362 2.359 20 5 DEBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC001322156412 1141418388 /nfs/dbraw/zinc/41/83/88/1141418388.db2.gz DAQJDWHBMDNZRO-UHFFFAOYSA-N 1 2 303.362 2.359 20 5 DEBDLO COC[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248186371 1141721235 /nfs/dbraw/zinc/72/12/35/1141721235.db2.gz KPNDFMWXFSGWOQ-LBPRGKRZSA-N 1 2 321.340 2.479 20 5 DEBDLO Cc1csc(C[C@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001262055346 1144288057 /nfs/dbraw/zinc/28/80/57/1144288057.db2.gz IDVHDXCMJWACPF-GFCCVEGCSA-N 1 2 321.406 2.468 20 5 DEBDLO Cc1csc(C[C@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001262055346 1144288059 /nfs/dbraw/zinc/28/80/59/1144288059.db2.gz IDVHDXCMJWACPF-GFCCVEGCSA-N 1 2 321.406 2.468 20 5 DEBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135692514 282079933 /nfs/dbraw/zinc/07/99/33/282079933.db2.gz OASNEOUEVDVPBG-UHFFFAOYSA-N 1 2 318.308 2.361 20 5 DEBDLO Cn1cc(C(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000612520571 361850192 /nfs/dbraw/zinc/85/01/92/361850192.db2.gz UBRWOUCHGDKDAH-UHFFFAOYSA-N 1 2 315.333 2.494 20 5 DEBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000273448950 282187728 /nfs/dbraw/zinc/18/77/28/282187728.db2.gz CTTWJQSRSLOOFX-UHFFFAOYSA-N 1 2 317.324 2.159 20 5 DEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149225936 186048543 /nfs/dbraw/zinc/04/85/43/186048543.db2.gz QGAVBYKFTMOJTN-UHFFFAOYSA-N 1 2 308.725 2.254 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172021736 198027764 /nfs/dbraw/zinc/02/77/64/198027764.db2.gz BVGCGPLPCCWTQO-CYBMUJFWSA-N 1 2 314.769 2.222 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172021736 198027766 /nfs/dbraw/zinc/02/77/66/198027766.db2.gz BVGCGPLPCCWTQO-CYBMUJFWSA-N 1 2 314.769 2.222 20 5 DEBDLO COc1ccc(OCC[N@@H+]2CCOCC2(C)C)c([N+](=O)[O-])c1 ZINC000173570544 198228753 /nfs/dbraw/zinc/22/87/53/198228753.db2.gz WHLYVFCISRTCDD-UHFFFAOYSA-N 1 2 310.350 2.093 20 5 DEBDLO COc1ccc(OCC[N@H+]2CCOCC2(C)C)c([N+](=O)[O-])c1 ZINC000173570544 198228755 /nfs/dbraw/zinc/22/87/55/198228755.db2.gz WHLYVFCISRTCDD-UHFFFAOYSA-N 1 2 310.350 2.093 20 5 DEBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ncc[nH]3)CC2)cc1 ZINC000173798828 198253025 /nfs/dbraw/zinc/25/30/25/198253025.db2.gz BINUBJZPTHRHJL-UHFFFAOYSA-N 1 2 302.334 2.361 20 5 DEBDLO O=[N+]([O-])c1ccc(OC2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000173798828 198253027 /nfs/dbraw/zinc/25/30/27/198253027.db2.gz BINUBJZPTHRHJL-UHFFFAOYSA-N 1 2 302.334 2.361 20 5 DEBDLO NC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332239886 282897811 /nfs/dbraw/zinc/89/78/11/282897811.db2.gz RFRADOCTYLGJAO-UHFFFAOYSA-N 1 2 303.322 2.218 20 5 DEBDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000026737056 354085280 /nfs/dbraw/zinc/08/52/80/354085280.db2.gz RFEXKTURHLCHFS-UHFFFAOYSA-N 1 2 313.357 2.343 20 5 DEBDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000026737056 354085282 /nfs/dbraw/zinc/08/52/82/354085282.db2.gz RFEXKTURHLCHFS-UHFFFAOYSA-N 1 2 313.357 2.343 20 5 DEBDLO CCOC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051181665 354381139 /nfs/dbraw/zinc/38/11/39/354381139.db2.gz 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C[C@H](C[NH+]1CCOCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276714233 213063219 /nfs/dbraw/zinc/06/32/19/213063219.db2.gz YSCIMXXNMDPGDB-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@]3(O)CCCOC3)c2c1 ZINC000593519834 358095755 /nfs/dbraw/zinc/09/57/55/358095755.db2.gz VBKHNAITFQCDOT-MRXNPFEDSA-N 1 2 317.345 2.487 20 5 DEBDLO C[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180200461 199129792 /nfs/dbraw/zinc/12/97/92/199129792.db2.gz CMNHIDWMJDEFFU-CYBMUJFWSA-N 1 2 302.277 2.153 20 5 DEBDLO C[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180200461 199129794 /nfs/dbraw/zinc/12/97/94/199129794.db2.gz CMNHIDWMJDEFFU-CYBMUJFWSA-N 1 2 302.277 2.153 20 5 DEBDLO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1O ZINC000594420461 358264105 /nfs/dbraw/zinc/26/41/05/358264105.db2.gz UVSDBHRJDFGMNW-UONOGXRCSA-N 1 2 319.361 2.047 20 5 DEBDLO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1O ZINC000594420461 358264109 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2.144 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000748824099 638596448 /nfs/dbraw/zinc/59/64/48/638596448.db2.gz HCDPUUKMGBJEHU-NEPJUHHUSA-N 1 2 309.753 2.101 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000748824099 638596451 /nfs/dbraw/zinc/59/64/51/638596451.db2.gz HCDPUUKMGBJEHU-NEPJUHHUSA-N 1 2 309.753 2.101 20 5 DEBDLO C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)CC(C)(C)C ZINC000738091120 638718643 /nfs/dbraw/zinc/71/86/43/638718643.db2.gz UQSYCAMWENNWNT-UHFFFAOYSA-N 1 2 305.334 2.126 20 5 DEBDLO C[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)CC(C)(C)C ZINC000738091120 638718648 /nfs/dbraw/zinc/71/86/48/638718648.db2.gz UQSYCAMWENNWNT-UHFFFAOYSA-N 1 2 305.334 2.126 20 5 DEBDLO C[N@H+](CC(F)F)C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000753116267 639259319 /nfs/dbraw/zinc/25/93/19/639259319.db2.gz ROFLJPSAXWRHGB-UHFFFAOYSA-N 1 2 300.309 2.156 20 5 DEBDLO C[N@@H+](CC(F)F)C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000753116267 639259327 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Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898490405 641678229 /nfs/dbraw/zinc/67/82/29/641678229.db2.gz HRFVCQUKEHFTGV-GFCCVEGCSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778302047 642368829 /nfs/dbraw/zinc/36/88/29/642368829.db2.gz MUNJGVCEGZTGAS-UHFFFAOYSA-N 1 2 310.260 2.035 20 5 DEBDLO COc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000778808804 642433570 /nfs/dbraw/zinc/43/35/70/642433570.db2.gz UIBYGFLOCCURAN-ZDUSSCGKSA-N 1 2 308.334 2.131 20 5 DEBDLO COc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000778808804 642433572 /nfs/dbraw/zinc/43/35/72/642433572.db2.gz UIBYGFLOCCURAN-ZDUSSCGKSA-N 1 2 308.334 2.131 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781343642 642741910 /nfs/dbraw/zinc/74/19/10/642741910.db2.gz DFNGVWYWQGDFID-GJZGRUSLSA-N 1 2 322.361 2.046 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781343642 642741912 /nfs/dbraw/zinc/74/19/12/642741912.db2.gz DFNGVWYWQGDFID-GJZGRUSLSA-N 1 2 322.361 2.046 20 5 DEBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCOCC4(CC4)C3)c2c1 ZINC000782300684 642857421 /nfs/dbraw/zinc/85/74/21/642857421.db2.gz JZUYLSJKTZSLQU-UHFFFAOYSA-N 1 2 302.334 2.014 20 5 DEBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCOCC4(CC4)C3)c2c1 ZINC000782300684 642857425 /nfs/dbraw/zinc/85/74/25/642857425.db2.gz JZUYLSJKTZSLQU-UHFFFAOYSA-N 1 2 302.334 2.014 20 5 DEBDLO CCn1cnnc1C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903072261 643247174 /nfs/dbraw/zinc/24/71/74/643247174.db2.gz HXXLMZOVPMIVBR-JTQLQIEISA-N 1 2 305.338 2.066 20 5 DEBDLO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1c(F)cccc1[N+](=O)[O-] ZINC000903419847 643350558 /nfs/dbraw/zinc/35/05/58/643350558.db2.gz IAMSKIRZWWAGLK-SNVBAGLBSA-N 1 2 320.324 2.311 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000787328966 643483054 /nfs/dbraw/zinc/48/30/54/643483054.db2.gz ADZAKFXFYJNICF-BHYNMZESSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000787328966 643483058 /nfs/dbraw/zinc/48/30/58/643483058.db2.gz ADZAKFXFYJNICF-BHYNMZESSA-N 1 2 323.780 2.334 20 5 DEBDLO Cc1cc(F)cc(C(=O)OCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC000791993099 644057388 /nfs/dbraw/zinc/05/73/88/644057388.db2.gz QLQAXVFQSGHROA-UHFFFAOYSA-N 1 2 305.265 2.377 20 5 DEBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C2CC2)O1 ZINC000794654287 644454016 /nfs/dbraw/zinc/45/40/16/644454016.db2.gz ONPCRADDIFYKBF-BDJLRTHQSA-N 1 2 316.361 2.401 20 5 DEBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C2CC2)O1 ZINC000794654287 644454020 /nfs/dbraw/zinc/45/40/20/644454020.db2.gz ONPCRADDIFYKBF-BDJLRTHQSA-N 1 2 316.361 2.401 20 5 DEBDLO C[C@@H](O)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000795632349 644608920 /nfs/dbraw/zinc/60/89/20/644608920.db2.gz XTOVNYWSHHGKPP-LLVKDONJSA-N 1 2 319.317 2.098 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@@H]2CCC[C@@H]21 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HHAIQGUVCKBLPD-JTQLQIEISA-N 1 2 304.281 2.114 20 5 DEBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000245791888 685118541 /nfs/dbraw/zinc/11/85/41/685118541.db2.gz XLWSCIQFAOOWNN-GHMZBOCLSA-N 1 2 317.345 2.126 20 5 DEBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000245791888 685118544 /nfs/dbraw/zinc/11/85/44/685118544.db2.gz XLWSCIQFAOOWNN-GHMZBOCLSA-N 1 2 317.345 2.126 20 5 DEBDLO COc1cccc([C@@H]([NH3+])c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1 ZINC000863674474 686548444 /nfs/dbraw/zinc/54/84/44/686548444.db2.gz DHTZZQVYJNYRNZ-CYBMUJFWSA-N 1 2 320.349 2.114 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nnc2n1CCC2 ZINC000873010373 689140185 /nfs/dbraw/zinc/14/01/85/689140185.db2.gz FKSUQLBWRMDNHR-UHFFFAOYSA-N 1 2 301.350 2.039 20 5 DEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878373565 690389384 /nfs/dbraw/zinc/38/93/84/690389384.db2.gz NYTFBKYBQNOQEJ-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@@H]1CCOCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878373565 690389385 /nfs/dbraw/zinc/38/93/85/690389385.db2.gz NYTFBKYBQNOQEJ-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886797655 692193939 /nfs/dbraw/zinc/19/39/39/692193939.db2.gz XZOYESOLTDNGPN-LBPRGKRZSA-N 1 2 322.258 2.481 20 5 DEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886797655 692193941 /nfs/dbraw/zinc/19/39/41/692193941.db2.gz XZOYESOLTDNGPN-LBPRGKRZSA-N 1 2 322.258 2.481 20 5 DEBDLO C[C@@H](CNC(=O)CCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000887402976 692356093 /nfs/dbraw/zinc/35/60/93/692356093.db2.gz MFZKWTSKHNOKKM-ZDUSSCGKSA-N 1 2 316.361 2.491 20 5 DEBDLO C[C@H](CNC(=O)CCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000887402975 692356136 /nfs/dbraw/zinc/35/61/36/692356136.db2.gz MFZKWTSKHNOKKM-CYBMUJFWSA-N 1 2 316.361 2.491 20 5 DEBDLO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000932350232 694598939 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313.317 2.346 20 5 DEBDLO Cc1ccc(C[NH2+][C@](C)(C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001191910165 797277355 /nfs/dbraw/zinc/27/73/55/797277355.db2.gz LQJSYWAQKJLIIS-KRWDZBQOSA-N 1 2 313.357 2.394 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2c[nH+]cn2C(C)C)n1 ZINC001161570220 798888436 /nfs/dbraw/zinc/88/84/36/798888436.db2.gz XKNJFGUGGQIYKJ-UHFFFAOYSA-N 1 2 319.321 2.166 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000935478800 800674342 /nfs/dbraw/zinc/67/43/42/800674342.db2.gz BHYQCWVRQPXBKS-UHFFFAOYSA-N 1 2 309.391 2.139 20 5 DEBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229961804 801342647 /nfs/dbraw/zinc/34/26/47/801342647.db2.gz ATCQLFICFRFAOS-SNVBAGLBSA-N 1 2 300.742 2.348 20 5 DEBDLO C[C@@H](C[NH+]1CCOCC1)Oc1cnc2c(cccc2[N+](=O)[O-])c1 ZINC001231159441 801595188 /nfs/dbraw/zinc/59/51/88/801595188.db2.gz WKIKQSATVDHDFS-LBPRGKRZSA-N 1 2 317.345 2.243 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3c(F)c(F)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225961621 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SHOATVSAHKBIEU-UHFFFAOYSA-N 1 2 321.402 2.101 20 5 DEBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001538138953 1072331365 /nfs/dbraw/zinc/33/13/65/1072331365.db2.gz DAWYOIHGSSPSHN-UHFFFAOYSA-N 1 2 322.296 2.344 20 5 DEBDLO O=[N+]([O-])c1c(NCc2[nH]c3c([nH+]2)CCCC3)nc2ccccn21 ZINC001612969696 1078114791 /nfs/dbraw/zinc/11/47/91/1078114791.db2.gz KEHLZQNJWYHNLD-UHFFFAOYSA-N 1 2 312.333 2.457 20 5 DEBDLO Cc1c[nH+]cc(C)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001616247537 1078130150 /nfs/dbraw/zinc/13/01/50/1078130150.db2.gz VVFBWZRVAFXPIS-UHFFFAOYSA-N 1 2 316.273 2.189 20 5 DEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001622821686 1078194530 /nfs/dbraw/zinc/19/45/30/1078194530.db2.gz NOQOJJFIPCZINF-SECBINFHSA-N 1 2 321.724 2.191 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)CCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC001519777524 1069072658 /nfs/dbraw/zinc/07/26/58/1069072658.db2.gz SYMXAMSABLFDJT-LBPRGKRZSA-N 1 2 316.361 2.447 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)CCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC001519777521 1069073106 /nfs/dbraw/zinc/07/31/06/1069073106.db2.gz SYMXAMSABLFDJT-GFCCVEGCSA-N 1 2 316.361 2.447 20 5 DEBDLO Cc1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001520761838 1069175661 /nfs/dbraw/zinc/17/56/61/1069175661.db2.gz VYFQDUSAYLWNRM-UHFFFAOYSA-N 1 2 303.293 2.431 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)nc1 ZINC001559265670 1075117179 /nfs/dbraw/zinc/11/71/79/1075117179.db2.gz XBBCBOJNMLJPAW-CQSZACIVSA-N 1 2 310.317 2.435 20 5 DEBDLO C[N@@H+]1CC[C@@H]1CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001663324224 1080731246 /nfs/dbraw/zinc/73/12/46/1080731246.db2.gz CWEGTSLDTRGPIM-SECBINFHSA-N 1 2 314.183 2.151 20 5 DEBDLO C[N@H+]1CC[C@@H]1CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001663324224 1080731251 /nfs/dbraw/zinc/73/12/51/1080731251.db2.gz CWEGTSLDTRGPIM-SECBINFHSA-N 1 2 314.183 2.151 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001668238160 1081331518 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DEBDLO CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000442791889 529482670 /nfs/dbraw/zinc/48/26/70/529482670.db2.gz KUWHUUVAUXOOBU-LBPRGKRZSA-N 1 2 306.297 2.267 20 5 DEBDLO O=C(NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152545278 186083826 /nfs/dbraw/zinc/08/38/26/186083826.db2.gz QSODWIGICFJLED-UHFFFAOYSA-N 1 2 308.725 2.265 20 5 DEBDLO Cc1noc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492622 358463762 /nfs/dbraw/zinc/46/37/62/358463762.db2.gz XVGUPGONKVVHMY-FZMZJTMJSA-N 1 2 307.350 2.425 20 5 DEBDLO Cc1noc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492622 358463768 /nfs/dbraw/zinc/46/37/68/358463768.db2.gz XVGUPGONKVVHMY-FZMZJTMJSA-N 1 2 307.350 2.425 20 5 DEBDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182067660 199382292 /nfs/dbraw/zinc/38/22/92/199382292.db2.gz FVAULYMDTHUAJG-LBPRGKRZSA-N 1 2 311.769 2.349 20 5 DEBDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182067660 199382295 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DEBDLO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)CO1 ZINC000609671655 361334090 /nfs/dbraw/zinc/33/40/90/361334090.db2.gz HWVXMIXSEKMPKF-UHFFFAOYSA-N 1 2 321.377 2.083 20 5 DEBDLO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)CO1 ZINC000609671655 361334094 /nfs/dbraw/zinc/33/40/94/361334094.db2.gz HWVXMIXSEKMPKF-UHFFFAOYSA-N 1 2 321.377 2.083 20 5 DEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610585156 361427570 /nfs/dbraw/zinc/42/75/70/361427570.db2.gz CQGCZPSPMJFACB-GWCFXTLKSA-N 1 2 305.334 2.026 20 5 DEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610585156 361427575 /nfs/dbraw/zinc/42/75/75/361427575.db2.gz CQGCZPSPMJFACB-GWCFXTLKSA-N 1 2 305.334 2.026 20 5 DEBDLO CNc1c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456428872 283687412 /nfs/dbraw/zinc/68/74/12/283687412.db2.gz RPPHJRFVXWISAW-GXSJLCMTSA-N 1 2 315.333 2.269 20 5 DEBDLO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O 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UMPUONATLIJFJA-UWVGGRQHSA-N 1 2 314.773 2.164 20 5 DEBDLO COCCCn1nccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000282839135 217284460 /nfs/dbraw/zinc/28/44/60/217284460.db2.gz RKIKODOXZDKNRO-UHFFFAOYSA-N 1 2 318.377 2.460 20 5 DEBDLO COCCCn1nccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000282839135 217284462 /nfs/dbraw/zinc/28/44/62/217284462.db2.gz RKIKODOXZDKNRO-UHFFFAOYSA-N 1 2 318.377 2.460 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456375302 247136764 /nfs/dbraw/zinc/13/67/64/247136764.db2.gz JYEPTTNLCCOOHM-CMPLNLGQSA-N 1 2 300.318 2.156 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456441711 247195598 /nfs/dbraw/zinc/19/55/98/247195598.db2.gz ZKYCZIWQKFOJHQ-JOYOIKCWSA-N 1 2 316.317 2.236 20 5 DEBDLO CCOc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492718413 249123388 /nfs/dbraw/zinc/12/33/88/249123388.db2.gz BCABDMBIBYSTGU-GFCCVEGCSA-N 1 2 322.283 2.349 20 5 DEBDLO CCOc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492718413 249123390 /nfs/dbraw/zinc/12/33/90/249123390.db2.gz BCABDMBIBYSTGU-GFCCVEGCSA-N 1 2 322.283 2.349 20 5 DEBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000492867583 249159612 /nfs/dbraw/zinc/15/96/12/249159612.db2.gz RTSPYKVHTWQIFG-DAFODLJHSA-N 1 2 306.709 2.301 20 5 DEBDLO COCCO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285303448 218372466 /nfs/dbraw/zinc/37/24/66/218372466.db2.gz MGSRBRMDCIBSTN-NSHDSACASA-N 1 2 316.304 2.110 20 5 DEBDLO COCCO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285303448 218372468 /nfs/dbraw/zinc/37/24/68/218372468.db2.gz MGSRBRMDCIBSTN-NSHDSACASA-N 1 2 316.304 2.110 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000110872198 194365419 /nfs/dbraw/zinc/36/54/19/194365419.db2.gz JSFUKYCJTRAPGI-AWEZNQCLSA-N 1 2 322.361 2.331 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000110872198 194365420 /nfs/dbraw/zinc/36/54/20/194365420.db2.gz JSFUKYCJTRAPGI-AWEZNQCLSA-N 1 2 322.361 2.331 20 5 DEBDLO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065424708 184342750 /nfs/dbraw/zinc/34/27/50/184342750.db2.gz KVPPZEURZZJBIZ-LBPRGKRZSA-N 1 2 321.377 2.057 20 5 DEBDLO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065424708 184342752 /nfs/dbraw/zinc/34/27/52/184342752.db2.gz KVPPZEURZZJBIZ-LBPRGKRZSA-N 1 2 321.377 2.057 20 5 DEBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340245496 131258980 /nfs/dbraw/zinc/25/89/80/131258980.db2.gz CXIMGWSYKAXZJN-OAHLLOKOSA-N 1 2 324.344 2.030 20 5 DEBDLO Cc1cc(N2C[C@@H](O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000350671607 132886596 /nfs/dbraw/zinc/88/65/96/132886596.db2.gz YBCNKZNQRJMNOX-FZMZJTMJSA-N 1 2 314.345 2.320 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)[nH]1 ZINC000355677708 133041718 /nfs/dbraw/zinc/04/17/18/133041718.db2.gz WGDYATONKXPFCQ-UHFFFAOYSA-N 1 2 310.273 2.211 20 5 DEBDLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000356128798 133067784 /nfs/dbraw/zinc/06/77/84/133067784.db2.gz KSZGPJWBLYCDTO-UHFFFAOYSA-N 1 2 308.725 2.220 20 5 DEBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000357556958 133085065 /nfs/dbraw/zinc/08/50/65/133085065.db2.gz ZFDKEIVJQPWNNN-UHFFFAOYSA-N 1 2 318.720 2.414 20 5 DEBDLO Cn1c[nH+]cc1Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000357938580 133110909 /nfs/dbraw/zinc/11/09/09/133110909.db2.gz RXUUVODWXXBLOD-SREVYHEPSA-N 1 2 311.301 2.473 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCn2c[nH+]cc2C1 ZINC000368091939 133259736 /nfs/dbraw/zinc/25/97/36/133259736.db2.gz IDJHKZVJSWEKRW-UHFFFAOYSA-N 1 2 321.724 2.492 20 5 DEBDLO COCC[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000368269102 133267087 /nfs/dbraw/zinc/26/70/87/133267087.db2.gz DYNKIMLBUILMOB-DRDHIDPGSA-N 1 2 306.362 2.345 20 5 DEBDLO COCC[C@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000368269102 133267088 /nfs/dbraw/zinc/26/70/88/133267088.db2.gz DYNKIMLBUILMOB-DRDHIDPGSA-N 1 2 306.362 2.345 20 5 DEBDLO Cn1nccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000348399025 146265667 /nfs/dbraw/zinc/26/56/67/146265667.db2.gz IRCKHRFMXRBTOB-UHFFFAOYSA-N 1 2 301.306 2.102 20 5 DEBDLO Cn1nccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000348399025 146265668 /nfs/dbraw/zinc/26/56/68/146265668.db2.gz IRCKHRFMXRBTOB-UHFFFAOYSA-N 1 2 301.306 2.102 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000349204890 146359215 /nfs/dbraw/zinc/35/92/15/146359215.db2.gz VMJMZKOPJYSTJD-VHSXEESVSA-N 1 2 304.306 2.261 20 5 DEBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccon1 ZINC000349250196 146362845 /nfs/dbraw/zinc/36/28/45/146362845.db2.gz YKCPSXUDRNBFHO-IINYFYTJSA-N 1 2 316.317 2.039 20 5 DEBDLO Cc1c([C@H](C)[NH2+]Cc2nnnn2CC2CC2)cccc1[N+](=O)[O-] ZINC000349355053 146371589 /nfs/dbraw/zinc/37/15/89/146371589.db2.gz NMJYKNILRWZXAX-NSHDSACASA-N 1 2 316.365 2.151 20 5 DEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c[nH+]c[nH]1 ZINC000359132051 147268190 /nfs/dbraw/zinc/26/81/90/147268190.db2.gz NFMPTQHUHCBCKF-MRVPVSSYSA-N 1 2 324.724 2.055 20 5 DEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c[nH]c[nH+]1 ZINC000359132051 147268192 /nfs/dbraw/zinc/26/81/92/147268192.db2.gz NFMPTQHUHCBCKF-MRVPVSSYSA-N 1 2 324.724 2.055 20 5 DEBDLO CC(C)OC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372160149 148175874 /nfs/dbraw/zinc/17/58/74/148175874.db2.gz JFBPTKDHFSRGCW-MRXNPFEDSA-N 1 2 324.377 2.099 20 5 DEBDLO CC(C)OC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372160149 148175875 /nfs/dbraw/zinc/17/58/75/148175875.db2.gz JFBPTKDHFSRGCW-MRXNPFEDSA-N 1 2 324.377 2.099 20 5 DEBDLO C[C@@H]1COCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000374349841 148234376 /nfs/dbraw/zinc/23/43/76/148234376.db2.gz ITFSKXANRCJWNE-NSHDSACASA-N 1 2 318.333 2.113 20 5 DEBDLO C[C@@H]1COCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000374349841 148234377 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DEBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116271308 401847288 /nfs/dbraw/zinc/84/72/88/401847288.db2.gz ZSNAXKPYMLHSRN-LBPRGKRZSA-N 1 2 311.769 2.301 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116271308 401847289 /nfs/dbraw/zinc/84/72/89/401847289.db2.gz ZSNAXKPYMLHSRN-LBPRGKRZSA-N 1 2 311.769 2.301 20 5 DEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nccc(N)n1 ZINC000135002462 401923257 /nfs/dbraw/zinc/92/32/57/401923257.db2.gz VCTNNIOFTAJMBE-UHFFFAOYSA-N 1 2 301.350 2.378 20 5 DEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nccc(N)n1 ZINC000135002462 401923260 /nfs/dbraw/zinc/92/32/60/401923260.db2.gz VCTNNIOFTAJMBE-UHFFFAOYSA-N 1 2 301.350 2.378 20 5 DEBDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135716289 401951233 /nfs/dbraw/zinc/95/12/33/401951233.db2.gz PKTRWEZHNATHFC-BLLLJJGKSA-N 1 2 321.377 2.423 20 5 DEBDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135716289 401951235 /nfs/dbraw/zinc/95/12/35/401951235.db2.gz PKTRWEZHNATHFC-BLLLJJGKSA-N 1 2 321.377 2.423 20 5 DEBDLO C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862933 401973932 /nfs/dbraw/zinc/97/39/32/401973932.db2.gz JZSHPDZPYJMBBN-ZDUSSCGKSA-N 1 2 305.378 2.428 20 5 DEBDLO C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862933 401973934 /nfs/dbraw/zinc/97/39/34/401973934.db2.gz JZSHPDZPYJMBBN-ZDUSSCGKSA-N 1 2 305.378 2.428 20 5 DEBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000053268789 402053612 /nfs/dbraw/zinc/05/36/12/402053612.db2.gz RYRQRKZDWHBHNG-UHFFFAOYSA-N 1 2 321.358 2.037 20 5 DEBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000053268789 402053614 /nfs/dbraw/zinc/05/36/14/402053614.db2.gz RYRQRKZDWHBHNG-UHFFFAOYSA-N 1 2 321.358 2.037 20 5 DEBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184548587 402274292 /nfs/dbraw/zinc/27/42/92/402274292.db2.gz SBVQGIQZZXSCPF-GFCCVEGCSA-N 1 2 319.317 2.104 20 5 DEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000184777756 402299422 /nfs/dbraw/zinc/29/94/22/402299422.db2.gz VBAMQAIVFBAERC-CYBMUJFWSA-N 1 2 316.361 2.246 20 5 DEBDLO COC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000176982881 402357040 /nfs/dbraw/zinc/35/70/40/402357040.db2.gz FOSGOSGDMJJEMQ-UHFFFAOYSA-N 1 2 319.317 2.121 20 5 DEBDLO CC(C)c1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000191537277 402677152 /nfs/dbraw/zinc/67/71/52/402677152.db2.gz BJRMVJMXTMXAJO-GXTWGEPZSA-N 1 2 308.378 2.300 20 5 DEBDLO CC(C)c1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000191537277 402677154 /nfs/dbraw/zinc/67/71/54/402677154.db2.gz BJRMVJMXTMXAJO-GXTWGEPZSA-N 1 2 308.378 2.300 20 5 DEBDLO Cn1c(Cl)cnc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000183266519 402751552 /nfs/dbraw/zinc/75/15/52/402751552.db2.gz VVLRTGKLYNQJNH-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000183266519 402751556 /nfs/dbraw/zinc/75/15/56/402751556.db2.gz VVLRTGKLYNQJNH-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274829886 403092004 /nfs/dbraw/zinc/09/20/04/403092004.db2.gz RPXUWYDWZRSQLD-NSHDSACASA-N 1 2 321.377 2.103 20 5 DEBDLO CN(CCCn1cc[nH+]c1)c1nc2sccn2c1[N+](=O)[O-] ZINC000268978230 403121742 /nfs/dbraw/zinc/12/17/42/403121742.db2.gz QMZMTZXIYOCSHF-UHFFFAOYSA-N 1 2 306.351 2.027 20 5 DEBDLO COCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000270394077 403187114 /nfs/dbraw/zinc/18/71/14/403187114.db2.gz TXBRRXPKRGITJR-UHFFFAOYSA-N 1 2 314.769 2.222 20 5 DEBDLO COC(=O)c1cc(NCc2[nH+]ccn2C)c(C)c([N+](=O)[O-])c1 ZINC000276797338 403194688 /nfs/dbraw/zinc/19/46/88/403194688.db2.gz FXYGEWXUVKECKW-UHFFFAOYSA-N 1 2 304.306 2.035 20 5 DEBDLO CC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000343000734 403424150 /nfs/dbraw/zinc/42/41/50/403424150.db2.gz OZPXLZDEMMORQD-SNVBAGLBSA-N 1 2 319.321 2.371 20 5 DEBDLO Cc1[nH]ncc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331635493 403436721 /nfs/dbraw/zinc/43/67/21/403436721.db2.gz OTJZXIXHQXYPTO-STQMWFEESA-N 1 2 304.354 2.096 20 5 DEBDLO Cc1cc(N[C@H](C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340820963 403664652 /nfs/dbraw/zinc/66/46/52/403664652.db2.gz JEWJVJMYIZRGDP-PWSUYJOCSA-N 1 2 316.361 2.353 20 5 DEBDLO Cc1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000301691408 403665560 /nfs/dbraw/zinc/66/55/60/403665560.db2.gz YUJHDJLHEDWDAV-ZDUSSCGKSA-N 1 2 300.318 2.351 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000347351242 403675749 /nfs/dbraw/zinc/67/57/49/403675749.db2.gz DBCGJEHVTIJXAN-XYOKQWHBSA-N 1 2 313.361 2.414 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2nc(C)nc2C1 ZINC000347351242 403675754 /nfs/dbraw/zinc/67/57/54/403675754.db2.gz DBCGJEHVTIJXAN-XYOKQWHBSA-N 1 2 313.361 2.414 20 5 DEBDLO COC(=O)c1occc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343895542 403780698 /nfs/dbraw/zinc/78/06/98/403780698.db2.gz UXRBQJVOFSYFPW-UHFFFAOYSA-N 1 2 320.301 2.273 20 5 DEBDLO CC(C)Oc1cc(C(=O)NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000411405431 403847946 /nfs/dbraw/zinc/84/79/46/403847946.db2.gz ZGLMFHURQUDTQS-UHFFFAOYSA-N 1 2 318.333 2.009 20 5 DEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347936532 403963466 /nfs/dbraw/zinc/96/34/66/403963466.db2.gz NMYPKWXLYUITQU-GFCCVEGCSA-N 1 2 304.281 2.434 20 5 DEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000412084504 404118760 /nfs/dbraw/zinc/11/87/60/404118760.db2.gz CNKPZROFYSFQFU-UHFFFAOYSA-N 1 2 307.394 2.137 20 5 DEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000341719638 404134268 /nfs/dbraw/zinc/13/42/68/404134268.db2.gz NIBIMSDWVIOEBJ-HNNXBMFYSA-N 1 2 314.345 2.138 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000363311537 404148671 /nfs/dbraw/zinc/14/86/71/404148671.db2.gz YSFVNRWSOUNLHH-UHFFFAOYSA-N 1 2 314.345 2.323 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000363311537 404148675 /nfs/dbraw/zinc/14/86/75/404148675.db2.gz YSFVNRWSOUNLHH-UHFFFAOYSA-N 1 2 314.345 2.323 20 5 DEBDLO COC(=O)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352420676 404359238 /nfs/dbraw/zinc/35/92/38/404359238.db2.gz FMEHFQDOPULOLX-WPRPVWTQSA-N 1 2 314.288 2.256 20 5 DEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352420676 404359245 /nfs/dbraw/zinc/35/92/45/404359245.db2.gz FMEHFQDOPULOLX-WPRPVWTQSA-N 1 2 314.288 2.256 20 5 DEBDLO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000344705395 404318594 /nfs/dbraw/zinc/31/85/94/404318594.db2.gz MNTIMEPSYYKTDG-CQSZACIVSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414527089 404667897 /nfs/dbraw/zinc/66/78/97/404667897.db2.gz QMWOAKHVHHRXAL-SKDRFNHKSA-N 1 2 316.304 2.399 20 5 DEBDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414527089 404667899 /nfs/dbraw/zinc/66/78/99/404667899.db2.gz QMWOAKHVHHRXAL-SKDRFNHKSA-N 1 2 316.304 2.399 20 5 DEBDLO CCc1c[nH+]ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358013928 404751253 /nfs/dbraw/zinc/75/12/53/404751253.db2.gz LZEKBBNACMZPNP-UHFFFAOYSA-N 1 2 311.301 2.103 20 5 DEBDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353505700 404851130 /nfs/dbraw/zinc/85/11/30/404851130.db2.gz LUTVDFBYWAZGNC-UHFFFAOYSA-N 1 2 319.386 2.405 20 5 DEBDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353505700 404851136 /nfs/dbraw/zinc/85/11/36/404851136.db2.gz LUTVDFBYWAZGNC-UHFFFAOYSA-N 1 2 319.386 2.405 20 5 DEBDLO CCC[C@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353521738 404856421 /nfs/dbraw/zinc/85/64/21/404856421.db2.gz SIEPKMCLLBCJEU-LSDHHAIUSA-N 1 2 318.377 2.168 20 5 DEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1C ZINC000361210846 404975958 /nfs/dbraw/zinc/97/59/58/404975958.db2.gz MMRGOQTXVDWGRQ-ZDUSSCGKSA-N 1 2 316.361 2.213 20 5 DEBDLO Cc1cccc(CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])[nH+]1 ZINC000420626584 405363687 /nfs/dbraw/zinc/36/36/87/405363687.db2.gz MSXXMKCOIXDJBX-UHFFFAOYSA-N 1 2 314.345 2.442 20 5 DEBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493314761 405535697 /nfs/dbraw/zinc/53/56/97/405535697.db2.gz DOTCDEOTNSZIQA-KJPDOOANSA-N 1 2 312.329 2.005 20 5 DEBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493314761 405535701 /nfs/dbraw/zinc/53/57/01/405535701.db2.gz DOTCDEOTNSZIQA-KJPDOOANSA-N 1 2 312.329 2.005 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456383572 405541927 /nfs/dbraw/zinc/54/19/27/405541927.db2.gz NLKMHYDLXJCZSI-SKDRFNHKSA-N 1 2 316.317 2.236 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494454112 405701905 /nfs/dbraw/zinc/70/19/05/405701905.db2.gz OQQNAEVVXKIWRB-OCCSQVGLSA-N 1 2 319.361 2.491 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494454112 405701910 /nfs/dbraw/zinc/70/19/10/405701910.db2.gz OQQNAEVVXKIWRB-OCCSQVGLSA-N 1 2 319.361 2.491 20 5 DEBDLO COc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000534300268 406179839 /nfs/dbraw/zinc/17/98/39/406179839.db2.gz RCNXFGFHWWWGBU-UHFFFAOYSA-N 1 2 301.302 2.289 20 5 DEBDLO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)CC2 ZINC000569610077 406279070 /nfs/dbraw/zinc/27/90/70/406279070.db2.gz DXDSLSXABFQOPT-SNVBAGLBSA-N 1 2 316.317 2.006 20 5 DEBDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000524425737 406448572 /nfs/dbraw/zinc/44/85/72/406448572.db2.gz HVQSXXZNUWGLNV-CQSZACIVSA-N 1 2 324.402 2.118 20 5 DEBDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000524425737 406448578 /nfs/dbraw/zinc/44/85/78/406448578.db2.gz HVQSXXZNUWGLNV-CQSZACIVSA-N 1 2 324.402 2.118 20 5 DEBDLO COc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000570283501 292473981 /nfs/dbraw/zinc/47/39/81/292473981.db2.gz VHPWPRFCKRUETE-SNVBAGLBSA-N 1 2 304.306 2.390 20 5 DEBDLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411158787 227350082 /nfs/dbraw/zinc/35/00/82/227350082.db2.gz GMDUTMMNQVEIAK-LSDHHAIUSA-N 1 2 314.345 2.101 20 5 DEBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)CCC2 ZINC000378227153 424905781 /nfs/dbraw/zinc/90/57/81/424905781.db2.gz BUTUHVCVIBOTAY-LBPRGKRZSA-N 1 2 301.350 2.793 20 5 DEBDLO Cc1cc(NCCc2cn3c(cccc3C)[nH+]2)ncc1[N+](=O)[O-] ZINC000592005942 425003307 /nfs/dbraw/zinc/00/33/07/425003307.db2.gz HTBKFISVFPSKER-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DEBDLO CN(Cc1[nH+]ccn1C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000347912617 269030529 /nfs/dbraw/zinc/03/05/29/269030529.db2.gz DHYQJTQACYPVFV-UHFFFAOYSA-N 1 2 314.305 2.015 20 5 DEBDLO CCN1CC[NH+]([C@H]2CCN(c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000106478971 276201949 /nfs/dbraw/zinc/20/19/49/276201949.db2.gz NMGWOZIIOMRASH-HNNXBMFYSA-N 1 2 318.421 2.119 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456441712 277389839 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O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262001581 303774572 /nfs/dbraw/zinc/77/45/72/303774572.db2.gz AYRNSKPNBPYKET-UHFFFAOYSA-N 1 2 321.377 2.343 20 5 DEBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000573015912 326012240 /nfs/dbraw/zinc/01/22/40/326012240.db2.gz BGRHSMDPTWLIJM-AWEZNQCLSA-N 1 2 309.753 2.103 20 5 DEBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000573015912 326012241 /nfs/dbraw/zinc/01/22/41/326012241.db2.gz BGRHSMDPTWLIJM-AWEZNQCLSA-N 1 2 309.753 2.103 20 5 DEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247737132 523466892 /nfs/dbraw/zinc/46/68/92/523466892.db2.gz VZAWJNJKDCZFJM-LALPHHSUSA-N 1 2 321.377 2.421 20 5 DEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247737132 523466899 /nfs/dbraw/zinc/46/68/99/523466899.db2.gz VZAWJNJKDCZFJM-LALPHHSUSA-N 1 2 321.377 2.421 20 5 DEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299472940 534751529 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DXQPYNNVIDAKPB-QMTHXVAHSA-N 1 2 317.301 2.115 20 5 DEBDLO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)nc1 ZINC000892935650 625732660 /nfs/dbraw/zinc/73/26/60/625732660.db2.gz CAPHUKVGBSCQGE-UHFFFAOYSA-N 1 2 303.318 2.297 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cncc(O)c1 ZINC000922977555 636894881 /nfs/dbraw/zinc/89/48/81/636894881.db2.gz UEWYPDSBGXRPRU-UHFFFAOYSA-N 1 2 303.318 2.384 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840655653 650344037 /nfs/dbraw/zinc/34/40/37/650344037.db2.gz GEIQKIIIBBGLJL-LSDHHAIUSA-N 1 2 315.329 2.218 20 5 DEBDLO C[NH+](C)Cc1csc(CNc2cc(N)ccc2[N+](=O)[O-])n1 ZINC000895481220 638051748 /nfs/dbraw/zinc/05/17/48/638051748.db2.gz RUGPOOOKBKVRQC-UHFFFAOYSA-N 1 2 307.379 2.307 20 5 DEBDLO Cc1nnc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000839659180 639781239 /nfs/dbraw/zinc/78/12/39/639781239.db2.gz ITPCADLVWLSGQW-JTQLQIEISA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)[nH]1 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JHBWWGBTECNFCA-UHFFFAOYSA-N 1 2 314.336 2.464 20 5 DEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000768140062 641054213 /nfs/dbraw/zinc/05/42/13/641054213.db2.gz AHSAWTRGKXWLHE-SECBINFHSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000768140062 641054215 /nfs/dbraw/zinc/05/42/15/641054215.db2.gz AHSAWTRGKXWLHE-SECBINFHSA-N 1 2 315.167 2.314 20 5 DEBDLO C/C(=C/C(=O)NCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000773823185 641827680 /nfs/dbraw/zinc/82/76/80/641827680.db2.gz IQTZABOZDRJERW-XFXZXTDPSA-N 1 2 314.345 2.091 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCn1cc[nH+]c1)CC2 ZINC000773985707 641848746 /nfs/dbraw/zinc/84/87/46/641848746.db2.gz NRVRJDSUVRPMSD-UHFFFAOYSA-N 1 2 300.318 2.079 20 5 DEBDLO CCCn1cc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000902776089 643140885 /nfs/dbraw/zinc/14/08/85/643140885.db2.gz FYPTWWXDSMQRCI-LLVKDONJSA-N 1 2 319.365 2.456 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000787328969 643482742 /nfs/dbraw/zinc/48/27/42/643482742.db2.gz ADZAKFXFYJNICF-WFBYXXMGSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000787328969 643482749 /nfs/dbraw/zinc/48/27/49/643482749.db2.gz ADZAKFXFYJNICF-WFBYXXMGSA-N 1 2 323.780 2.334 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000905734012 644025508 /nfs/dbraw/zinc/02/55/08/644025508.db2.gz MMEZSEOWYQBZCS-LLVKDONJSA-N 1 2 307.379 2.160 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000905734012 644025512 /nfs/dbraw/zinc/02/55/12/644025512.db2.gz MMEZSEOWYQBZCS-LLVKDONJSA-N 1 2 307.379 2.160 20 5 DEBDLO C[N@H+](CC[S@](=O)C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000905905312 644079096 /nfs/dbraw/zinc/07/90/96/644079096.db2.gz PCLFNHBZDNWUFJ-FQEVSTJZSA-N 1 2 310.297 2.295 20 5 DEBDLO C[N@@H+](CC[S@](=O)C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000905905312 644079099 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20 5 DEBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801544786 645411932 /nfs/dbraw/zinc/41/19/32/645411932.db2.gz UPUMXQJHCJVRBB-JTQLQIEISA-N 1 2 311.357 2.469 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCc1[nH+]ccn1C ZINC000802787092 645558556 /nfs/dbraw/zinc/55/85/56/645558556.db2.gz BLVJCKSGBCUWKJ-UHFFFAOYSA-N 1 2 303.318 2.426 20 5 DEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000807979001 646014656 /nfs/dbraw/zinc/01/46/56/646014656.db2.gz AFQZEXDJJOVCIW-GFCCVEGCSA-N 1 2 321.377 2.178 20 5 DEBDLO Cc1nn(C[NH+]2CCC(c3ccncn3)CC2)c(C)c1[N+](=O)[O-] ZINC000840170885 646216342 /nfs/dbraw/zinc/21/63/42/646216342.db2.gz WHJUZZFHHPFJAB-UHFFFAOYSA-N 1 2 316.365 2.035 20 5 DEBDLO Nc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1[N+](=O)[O-] ZINC000819893979 647736500 /nfs/dbraw/zinc/73/65/00/647736500.db2.gz XWGYQNRTCGHMDD-UHFFFAOYSA-N 1 2 324.300 2.010 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454401 651131067 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/nfs/dbraw/zinc/59/57/74/694595774.db2.gz INEFDADVXMHFIM-AAEUAGOBSA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932341620 694595776 /nfs/dbraw/zinc/59/57/76/694595776.db2.gz INEFDADVXMHFIM-AAEUAGOBSA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1C ZINC001345838914 1150920082 /nfs/dbraw/zinc/92/00/82/1150920082.db2.gz MMQMCSIFTISFCF-GFCCVEGCSA-N 1 2 310.325 2.412 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1C ZINC001345838914 1150920088 /nfs/dbraw/zinc/92/00/88/1150920088.db2.gz MMQMCSIFTISFCF-GFCCVEGCSA-N 1 2 310.325 2.412 20 5 DEBDLO C[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001349983191 1151314012 /nfs/dbraw/zinc/31/40/12/1151314012.db2.gz RJRVTZSHBOTQOV-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001349983191 1151314016 /nfs/dbraw/zinc/31/40/16/1151314016.db2.gz RJRVTZSHBOTQOV-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2CCO)cc1F ZINC000689224966 780185674 /nfs/dbraw/zinc/18/56/74/780185674.db2.gz ALBGPBCCNCONNU-LLVKDONJSA-N 1 2 300.355 2.034 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1F ZINC000689224966 780185679 /nfs/dbraw/zinc/18/56/79/780185679.db2.gz ALBGPBCCNCONNU-LLVKDONJSA-N 1 2 300.355 2.034 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1c1cnccn1 ZINC001177014972 794557735 /nfs/dbraw/zinc/55/77/35/794557735.db2.gz DFOBTGNXDCFGEM-CYBMUJFWSA-N 1 2 313.361 2.096 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1c1cnccn1 ZINC001177014972 794557741 /nfs/dbraw/zinc/55/77/41/794557741.db2.gz DFOBTGNXDCFGEM-CYBMUJFWSA-N 1 2 313.361 2.096 20 5 DEBDLO Cc1cc(NC(=O)[C@H]2[NH2+]CCc3occc32)cc([N+](=O)[O-])c1 ZINC001122599051 795782714 /nfs/dbraw/zinc/78/27/14/795782714.db2.gz HMCMVEKLBYSXQV-AWEZNQCLSA-N 1 2 301.302 2.322 20 5 DEBDLO Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001155194144 797705870 /nfs/dbraw/zinc/70/58/70/797705870.db2.gz PCWYWHWWTVOXEU-CYBMUJFWSA-N 1 2 316.361 2.194 20 5 DEBDLO Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001155194144 797705872 /nfs/dbraw/zinc/70/58/72/797705872.db2.gz PCWYWHWWTVOXEU-CYBMUJFWSA-N 1 2 316.361 2.194 20 5 DEBDLO Nc1nnc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)o1 ZINC001195719497 797948127 /nfs/dbraw/zinc/94/81/27/797948127.db2.gz FSYVOLFIRNGCQF-UHFFFAOYSA-N 1 2 321.312 2.079 20 5 DEBDLO O=[N+]([O-])c1cnc(NCCc2cn3ccccc3[nH+]2)c(F)c1 ZINC001158144399 798349988 /nfs/dbraw/zinc/34/99/88/798349988.db2.gz ABGOCLGRCFJIQP-UHFFFAOYSA-N 1 2 301.281 2.431 20 5 DEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1Cc1[nH+]ccn1C(F)F ZINC001166110079 799827951 /nfs/dbraw/zinc/82/79/51/799827951.db2.gz CGBBBQQEEDSQPD-UHFFFAOYSA-N 1 2 310.216 2.143 20 5 DEBDLO Cn1cc[nH+]c1Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001166880139 799969598 /nfs/dbraw/zinc/96/95/98/799969598.db2.gz STLDVWMVFCULPJ-UHFFFAOYSA-N 1 2 318.724 2.289 20 5 DEBDLO C[NH+](C)/C=C/c1cc(N2CCC(=O)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001166977740 799995641 /nfs/dbraw/zinc/99/56/41/799995641.db2.gz WLHNRQUIQAULCZ-FNORWQNLSA-N 1 2 318.377 2.328 20 5 DEBDLO COc1cccc(C(=O)OCC(C)(C)n2cc[nH+]c2)c1[N+](=O)[O-] ZINC001344111437 1150797746 /nfs/dbraw/zinc/79/77/46/1150797746.db2.gz QNWFCOYBTMSRIT-UHFFFAOYSA-N 1 2 319.317 2.392 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1C ZINC001345838917 1150920246 /nfs/dbraw/zinc/92/02/46/1150920246.db2.gz MMQMCSIFTISFCF-LBPRGKRZSA-N 1 2 310.325 2.412 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1C ZINC001345838917 1150920248 /nfs/dbraw/zinc/92/02/48/1150920248.db2.gz MMQMCSIFTISFCF-LBPRGKRZSA-N 1 2 310.325 2.412 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001524832425 1070035846 /nfs/dbraw/zinc/03/58/46/1070035846.db2.gz XGILSNXEDIYMSA-KBPBESRZSA-N 1 2 301.302 2.175 20 5 DEBDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N)c1ccccc1[N+](=O)[O-] ZINC001471237819 1060197686 /nfs/dbraw/zinc/19/76/86/1060197686.db2.gz PIANPTUZHZNUHV-JTQLQIEISA-N 1 2 315.333 2.132 20 5 DEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc[nH+]1 ZINC001537535537 1072313101 /nfs/dbraw/zinc/31/31/01/1072313101.db2.gz UCSAVMXZIXUSSO-UHFFFAOYSA-N 1 2 318.308 2.178 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c[nH+]1 ZINC001635606369 1078454648 /nfs/dbraw/zinc/45/46/48/1078454648.db2.gz IGICMJMJKSLGNW-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC001635606369 1078454650 /nfs/dbraw/zinc/45/46/50/1078454650.db2.gz IGICMJMJKSLGNW-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001570747374 1068106500 /nfs/dbraw/zinc/10/65/00/1068106500.db2.gz RNBSPZWHKNWGOC-QMMMGPOBSA-N 1 2 324.287 2.091 20 5 DEBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001570747374 1068106504 /nfs/dbraw/zinc/10/65/04/1068106504.db2.gz RNBSPZWHKNWGOC-QMMMGPOBSA-N 1 2 324.287 2.091 20 5 DEBDLO CC(C)c1n[nH]c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1[N+](=O)[O-] ZINC001647824931 1074982347 /nfs/dbraw/zinc/98/23/47/1074982347.db2.gz RIODIGLYQISNFE-UHFFFAOYSA-N 1 2 320.353 2.218 20 5 DEBDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N)c1ccc([N+](=O)[O-])cc1 ZINC001565339344 1075177749 /nfs/dbraw/zinc/17/77/49/1075177749.db2.gz MAADKZPPLUJUHX-SNVBAGLBSA-N 1 2 315.333 2.132 20 5 DEBDLO Nc1cc[nH+]c(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC001580462458 1075929969 /nfs/dbraw/zinc/92/99/69/1075929969.db2.gz KSEDQUBZTUPVAH-UHFFFAOYSA-N 1 2 324.138 2.342 20 5 DEBDLO CN(C)c1[nH+]cc(Cn2cccc([N+](=O)[O-])c2=O)c2ccccc21 ZINC001656259405 1080074086 /nfs/dbraw/zinc/07/40/86/1080074086.db2.gz GHQYRYGTQWYKLD-UHFFFAOYSA-N 1 2 324.340 2.419 20 5 DEBDLO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001252079401 1142623322 /nfs/dbraw/zinc/62/33/22/1142623322.db2.gz DECMWTZNSNGAPY-ZDUSSCGKSA-N 1 2 316.361 2.491 20 5 DEBDLO CN(C)c1[nH+]ccc2c1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001338238658 1142840832 /nfs/dbraw/zinc/84/08/32/1142840832.db2.gz WKXNPXHZOQIRRJ-UHFFFAOYSA-N 1 2 317.324 2.153 20 5 DEBDLO COC(=O)C1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001254584021 1143268664 /nfs/dbraw/zinc/26/86/64/1143268664.db2.gz PPKQEWXFNLHSSF-ZDUSSCGKSA-N 1 2 304.346 2.137 20 5 DEBDLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC001264010814 1144441438 /nfs/dbraw/zinc/44/14/38/1144441438.db2.gz LLAZECCZJRTGAL-LLVKDONJSA-N 1 2 300.318 2.301 20 5 DEBDLO CCc1[nH]c(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001303974194 1147340440 /nfs/dbraw/zinc/34/04/40/1147340440.db2.gz BUDQBTKGGQEWPK-KGLIPLIRSA-N 1 2 314.345 2.300 20 5 DEBDLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001303974194 1147340446 /nfs/dbraw/zinc/34/04/46/1147340446.db2.gz BUDQBTKGGQEWPK-KGLIPLIRSA-N 1 2 314.345 2.300 20 5 DEBDLO CCn1cc[nH+]c1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000295856694 529577581 /nfs/dbraw/zinc/57/75/81/529577581.db2.gz WROAALQZZBLPLI-UHFFFAOYSA-N 1 2 320.374 2.463 20 5 DEBDLO CCn1cc[nH+]c1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000294879356 529580374 /nfs/dbraw/zinc/58/03/74/529580374.db2.gz BUXZPTBLISJCMB-UHFFFAOYSA-N 1 2 318.333 2.139 20 5 DEBDLO Cc1ccc(NC(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000092710808 185336025 /nfs/dbraw/zinc/33/60/25/185336025.db2.gz GBSAPPZCBQPJND-UHFFFAOYSA-N 1 2 303.322 2.301 20 5 DEBDLO CN(C)C(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330712110 232012061 /nfs/dbraw/zinc/01/20/61/232012061.db2.gz YDCACNAQDXVKBG-UHFFFAOYSA-N 1 2 320.393 2.173 20 5 DEBDLO CN(C)C(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330712110 232012063 /nfs/dbraw/zinc/01/20/63/232012063.db2.gz YDCACNAQDXVKBG-UHFFFAOYSA-N 1 2 320.393 2.173 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286820323 219181035 /nfs/dbraw/zinc/18/10/35/219181035.db2.gz KJZDSDOEQMTTKO-HNNXBMFYSA-N 1 2 312.341 2.290 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286820323 219181038 /nfs/dbraw/zinc/18/10/38/219181038.db2.gz KJZDSDOEQMTTKO-HNNXBMFYSA-N 1 2 312.341 2.290 20 5 DEBDLO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181939121 199365888 /nfs/dbraw/zinc/36/58/88/199365888.db2.gz ORUDHDNHVCYNLY-LBPRGKRZSA-N 1 2 321.377 2.151 20 5 DEBDLO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181939121 199365890 /nfs/dbraw/zinc/36/58/90/199365890.db2.gz ORUDHDNHVCYNLY-LBPRGKRZSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595467719 358456879 /nfs/dbraw/zinc/45/68/79/358456879.db2.gz USCWPUJBCRKOPI-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595467719 358456882 /nfs/dbraw/zinc/45/68/82/358456882.db2.gz USCWPUJBCRKOPI-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO CC[C@H]([NH2+]Cc1nnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000268746858 186376615 /nfs/dbraw/zinc/37/66/15/186376615.db2.gz FYVBFNZDPUHIRI-ZDUSSCGKSA-N 1 2 301.350 2.373 20 5 DEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494734 358464259 /nfs/dbraw/zinc/46/42/59/358464259.db2.gz ZZGXJIVDWONQFT-DOMZBBRYSA-N 1 2 323.368 2.029 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000172719834 198140878 /nfs/dbraw/zinc/14/08/78/198140878.db2.gz WFNKXOMNKJPOND-OAHLLOKOSA-N 1 2 320.324 2.004 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000172719834 198140880 /nfs/dbraw/zinc/14/08/80/198140880.db2.gz WFNKXOMNKJPOND-OAHLLOKOSA-N 1 2 320.324 2.004 20 5 DEBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000331755571 234086181 /nfs/dbraw/zinc/08/61/81/234086181.db2.gz AHZWGCVMOQMVMS-SECBINFHSA-N 1 2 310.335 2.125 20 5 DEBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000331755571 234086182 /nfs/dbraw/zinc/08/61/82/234086182.db2.gz AHZWGCVMOQMVMS-SECBINFHSA-N 1 2 310.335 2.125 20 5 DEBDLO O=C1N=NC([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)O1 ZINC000331755571 234086183 /nfs/dbraw/zinc/08/61/83/234086183.db2.gz AHZWGCVMOQMVMS-SECBINFHSA-N 1 2 310.335 2.125 20 5 DEBDLO O=C1N=NC([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)O1 ZINC000331755571 234086185 /nfs/dbraw/zinc/08/61/85/234086185.db2.gz AHZWGCVMOQMVMS-SECBINFHSA-N 1 2 310.335 2.125 20 5 DEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCNc1cccc[nH+]1 ZINC000173829392 198257449 /nfs/dbraw/zinc/25/74/49/198257449.db2.gz UYAANZVUWRBXIX-UHFFFAOYSA-N 1 2 314.345 2.151 20 5 DEBDLO Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536249 358477353 /nfs/dbraw/zinc/47/73/53/358477353.db2.gz WZWSNBQZZKHPQB-OLZOCXBDSA-N 1 2 303.318 2.199 20 5 DEBDLO Cc1noc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536249 358477355 /nfs/dbraw/zinc/47/73/55/358477355.db2.gz WZWSNBQZZKHPQB-OLZOCXBDSA-N 1 2 303.318 2.199 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000595549045 358480451 /nfs/dbraw/zinc/48/04/51/358480451.db2.gz GITUDGXXRFMDDH-ZDUSSCGKSA-N 1 2 305.313 2.163 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000595549045 358480455 /nfs/dbraw/zinc/48/04/55/358480455.db2.gz GITUDGXXRFMDDH-ZDUSSCGKSA-N 1 2 305.313 2.163 20 5 DEBDLO Cc1cc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)on1 ZINC000032491034 354149868 /nfs/dbraw/zinc/14/98/68/354149868.db2.gz SZCYRSHDQIBZBX-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO Cc1cc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)on1 ZINC000032491034 354149871 /nfs/dbraw/zinc/14/98/71/354149871.db2.gz SZCYRSHDQIBZBX-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000047028115 354303529 /nfs/dbraw/zinc/30/35/29/354303529.db2.gz JZYPMRPIOUGYNT-GFCCVEGCSA-N 1 2 317.349 2.021 20 5 DEBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000063257352 354641777 /nfs/dbraw/zinc/64/17/77/354641777.db2.gz KPFWYCPWDNAFMS-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO Cc1cnc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000078626192 355271490 /nfs/dbraw/zinc/27/14/90/355271490.db2.gz KOKDSICDQPVVKG-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)ncc1[N+](=O)[O-] ZINC000080597169 355372597 /nfs/dbraw/zinc/37/25/97/355372597.db2.gz PPZSAZTXANGWEH-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000090172418 355560653 /nfs/dbraw/zinc/56/06/53/355560653.db2.gz ZPWUSOXGBGASAP-JTQLQIEISA-N 1 2 302.338 2.075 20 5 DEBDLO CCc1nn(C)c(NCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000091628508 355603764 /nfs/dbraw/zinc/60/37/64/355603764.db2.gz YFORNEQCSBTVJG-UHFFFAOYSA-N 1 2 314.349 2.459 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000382622107 356677147 /nfs/dbraw/zinc/67/71/47/356677147.db2.gz ZTDSXTDUHLJQTM-HNNXBMFYSA-N 1 2 323.368 2.031 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000382622107 356677151 /nfs/dbraw/zinc/67/71/51/356677151.db2.gz ZTDSXTDUHLJQTM-HNNXBMFYSA-N 1 2 323.368 2.031 20 5 DEBDLO COc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000590972147 357655851 /nfs/dbraw/zinc/65/58/51/357655851.db2.gz KKLYWKOAEOTPDJ-RISCZKNCSA-N 1 2 322.361 2.223 20 5 DEBDLO COc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000590972147 357655858 /nfs/dbraw/zinc/65/58/58/357655858.db2.gz KKLYWKOAEOTPDJ-RISCZKNCSA-N 1 2 322.361 2.223 20 5 DEBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(CC(F)F)C1)OCCO2 ZINC000591839132 357767310 /nfs/dbraw/zinc/76/73/10/357767310.db2.gz SAXPKVBSIQQCHS-UHFFFAOYSA-N 1 2 314.288 2.453 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000593996818 358186922 /nfs/dbraw/zinc/18/69/22/358186922.db2.gz VXMFYCLMTWEOJJ-CYBMUJFWSA-N 1 2 323.368 2.031 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000593996818 358186924 /nfs/dbraw/zinc/18/69/24/358186924.db2.gz VXMFYCLMTWEOJJ-CYBMUJFWSA-N 1 2 323.368 2.031 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000593996818 358186928 /nfs/dbraw/zinc/18/69/28/358186928.db2.gz VXMFYCLMTWEOJJ-CYBMUJFWSA-N 1 2 323.368 2.031 20 5 DEBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593998339 358187094 /nfs/dbraw/zinc/18/70/94/358187094.db2.gz HQUVNOIGXGQCDD-AWEZNQCLSA-N 1 2 309.753 2.103 20 5 DEBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593998339 358187098 /nfs/dbraw/zinc/18/70/98/358187098.db2.gz HQUVNOIGXGQCDD-AWEZNQCLSA-N 1 2 309.753 2.103 20 5 DEBDLO CCn1ncnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054349 358383624 /nfs/dbraw/zinc/38/36/24/358383624.db2.gz LUPJTVYNUUGAHS-SNVBAGLBSA-N 1 2 305.338 2.066 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nc(C(N)=O)cs1 ZINC000595080759 358387288 /nfs/dbraw/zinc/38/72/88/358387288.db2.gz AJUZLIMJNZRNIN-VIFPVBQESA-N 1 2 320.374 2.309 20 5 DEBDLO CC[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1cccc([N+](=O)[O-])c1 ZINC000595083146 358387426 /nfs/dbraw/zinc/38/74/26/358387426.db2.gz VHVMLMMPSAOUSH-NSHDSACASA-N 1 2 320.374 2.391 20 5 DEBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595346083 358426851 /nfs/dbraw/zinc/42/68/51/358426851.db2.gz VEWSVDDAKZBDIO-GFCCVEGCSA-N 1 2 305.338 2.270 20 5 DEBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595346083 358426854 /nfs/dbraw/zinc/42/68/54/358426854.db2.gz VEWSVDDAKZBDIO-GFCCVEGCSA-N 1 2 305.338 2.270 20 5 DEBDLO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c2[nH+]ccn21 ZINC000596256751 358653073 /nfs/dbraw/zinc/65/30/73/358653073.db2.gz FVLSKWFCADIMGQ-KWQFWETISA-N 1 2 301.306 2.008 20 5 DEBDLO Cc1nn(C)c(NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000596354965 358671359 /nfs/dbraw/zinc/67/13/59/358671359.db2.gz BIVMWVSVPJSYSP-UHFFFAOYSA-N 1 2 316.365 2.244 20 5 DEBDLO O=[N+]([O-])c1ccccc1N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596518861 358705130 /nfs/dbraw/zinc/70/51/30/358705130.db2.gz XVGVRVPHTIGKIO-UHFFFAOYSA-N 1 2 305.378 2.143 20 5 DEBDLO CO[C@@]1(C)C[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596540612 358709462 /nfs/dbraw/zinc/70/94/62/358709462.db2.gz RMROSEOBJMQJIS-CVEARBPZSA-N 1 2 321.377 2.016 20 5 DEBDLO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000597856639 359023093 /nfs/dbraw/zinc/02/30/93/359023093.db2.gz ZRKZZAWLSWQLSY-NSHDSACASA-N 1 2 321.377 2.151 20 5 DEBDLO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000597856639 359023097 /nfs/dbraw/zinc/02/30/97/359023097.db2.gz ZRKZZAWLSWQLSY-NSHDSACASA-N 1 2 321.377 2.151 20 5 DEBDLO CC(C)[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276451994 212887603 /nfs/dbraw/zinc/88/76/03/212887603.db2.gz BWRVUROJGJGEDQ-AWEZNQCLSA-N 1 2 318.333 2.210 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2ncn(Cc3[nH+]ccn3C(F)F)n2)c1 ZINC000428325523 237133789 /nfs/dbraw/zinc/13/37/89/237133789.db2.gz NKVKSJSXYUVUKU-UHFFFAOYSA-N 1 2 320.259 2.493 20 5 DEBDLO O=C(NCC1CC=CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600224174 359695515 /nfs/dbraw/zinc/69/55/15/359695515.db2.gz GZHCFOXMOUGHJR-UHFFFAOYSA-N 1 2 312.329 2.477 20 5 DEBDLO C[NH+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602424686 360366025 /nfs/dbraw/zinc/36/60/25/360366025.db2.gz KSUAAPJESZKCHH-UHFFFAOYSA-N 1 2 320.212 2.166 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997315 360661997 /nfs/dbraw/zinc/66/19/97/360661997.db2.gz HNMJQUDKTPOONO-KBMXLJTQSA-N 1 2 306.362 2.426 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997315 360662000 /nfs/dbraw/zinc/66/20/00/360662000.db2.gz HNMJQUDKTPOONO-KBMXLJTQSA-N 1 2 306.362 2.426 20 5 DEBDLO O=[N+]([O-])c1ncccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000608973954 361275713 /nfs/dbraw/zinc/27/57/13/361275713.db2.gz PQKXGJOHZLFCFV-UHFFFAOYSA-N 1 2 319.390 2.159 20 5 DEBDLO O=[N+]([O-])c1ncccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000608973954 361275720 /nfs/dbraw/zinc/27/57/20/361275720.db2.gz PQKXGJOHZLFCFV-UHFFFAOYSA-N 1 2 319.390 2.159 20 5 DEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131043 361281313 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2.428 20 5 DEBDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000611462918 361603201 /nfs/dbraw/zinc/60/32/01/361603201.db2.gz JKJKNRATYCHJCJ-UHFFFAOYSA-N 1 2 317.389 2.428 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCCCO ZINC000447816561 239120202 /nfs/dbraw/zinc/12/02/02/239120202.db2.gz LNJMDTIYUXDVAS-UHFFFAOYSA-N 1 2 323.393 2.002 20 5 DEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCCn1cc[nH+]c1 ZINC000619772775 363874688 /nfs/dbraw/zinc/87/46/88/363874688.db2.gz LUGCPDTUKCXKLS-UHFFFAOYSA-N 1 2 316.361 2.273 20 5 DEBDLO CC(C)n1ncnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285319347 218379584 /nfs/dbraw/zinc/37/95/84/218379584.db2.gz MVHARCNCZRKPBH-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO CC(C)n1ncnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285319347 218379586 /nfs/dbraw/zinc/37/95/86/218379586.db2.gz MVHARCNCZRKPBH-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO Cc1cccn2cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]c12 ZINC000294519593 224067364 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C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](c2ccccc2)O1 ZINC000246304295 145098315 /nfs/dbraw/zinc/09/83/15/145098315.db2.gz YXEMXVBZDLULRT-ZFWWWQNUSA-N 1 2 316.361 2.253 20 5 DEBDLO Cc1ccn(Cc2ccc(-n3cc[nH+]c3)cc2)c(=O)c1[N+](=O)[O-] ZINC000358492401 147144201 /nfs/dbraw/zinc/14/42/01/147144201.db2.gz BUCPYSUDNCMKFQ-UHFFFAOYSA-N 1 2 310.313 2.299 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367738670 147787057 /nfs/dbraw/zinc/78/70/57/147787057.db2.gz BTADKCCDXZJZDZ-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO Cc1c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cccc1[N+](=O)[O-] ZINC000375228661 148345068 /nfs/dbraw/zinc/34/50/68/148345068.db2.gz JAVLFGSVBVXEDX-HOCLYGCPSA-N 1 2 318.373 2.473 20 5 DEBDLO Cc1c(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cccc1[N+](=O)[O-] ZINC000375228661 148345070 /nfs/dbraw/zinc/34/50/70/148345070.db2.gz JAVLFGSVBVXEDX-HOCLYGCPSA-N 1 2 318.373 2.473 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000127264770 401726599 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CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000113000332 401765244 /nfs/dbraw/zinc/76/52/44/401765244.db2.gz MEBGJXVXQDRDKY-GFCCVEGCSA-N 1 2 314.407 2.240 20 5 DEBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000024152247 401829293 /nfs/dbraw/zinc/82/92/93/401829293.db2.gz OPMSUJVBXYNSJT-UHFFFAOYSA-N 1 2 318.358 2.292 20 5 DEBDLO C[N@H+]1CCc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000024152247 401829296 /nfs/dbraw/zinc/82/92/96/401829296.db2.gz OPMSUJVBXYNSJT-UHFFFAOYSA-N 1 2 318.358 2.292 20 5 DEBDLO C[N@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027349828 401845090 /nfs/dbraw/zinc/84/50/90/401845090.db2.gz SQMMDTJXINQJPZ-UHFFFAOYSA-N 1 2 317.320 2.465 20 5 DEBDLO C[N@@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027349828 401845091 /nfs/dbraw/zinc/84/50/91/401845091.db2.gz SQMMDTJXINQJPZ-UHFFFAOYSA-N 1 2 317.320 2.465 20 5 DEBDLO Cc1c(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000089155261 401937155 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Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000153616769 402157049 /nfs/dbraw/zinc/15/70/49/402157049.db2.gz FDBGMIJMSCPLNO-LLVKDONJSA-N 1 2 302.334 2.166 20 5 DEBDLO COC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000109799787 402276145 /nfs/dbraw/zinc/27/61/45/402276145.db2.gz JZVHWRMIMIGBBN-UHFFFAOYSA-N 1 2 322.361 2.439 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178055827 402456187 /nfs/dbraw/zinc/45/61/87/402456187.db2.gz HRESRSKNHMZREW-UHFFFAOYSA-N 1 2 310.313 2.101 20 5 DEBDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255021772 402675725 /nfs/dbraw/zinc/67/57/25/402675725.db2.gz VKDJDJJWQXEKSN-FPLPWBNLSA-N 1 2 314.345 2.353 20 5 DEBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192456071 402730267 /nfs/dbraw/zinc/73/02/67/402730267.db2.gz MEJCRQBPFDUSEA-LLVKDONJSA-N 1 2 319.390 2.330 20 5 DEBDLO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000184442662 402844327 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403497210 /nfs/dbraw/zinc/49/72/10/403497210.db2.gz QHODHIXERHSJRY-DGCLKSJQSA-N 1 2 314.345 2.231 20 5 DEBDLO Cc1cccc(CCCNc2cccc(C(N)=O)c2[N+](=O)[O-])[nH+]1 ZINC000343229179 403503125 /nfs/dbraw/zinc/50/31/25/403503125.db2.gz ZSWGTQJPKMNFIZ-UHFFFAOYSA-N 1 2 314.345 2.442 20 5 DEBDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332206656 403514586 /nfs/dbraw/zinc/51/45/86/403514586.db2.gz FMSJLDASYZQBIU-JTQLQIEISA-N 1 2 303.318 2.117 20 5 DEBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332206656 403514592 /nfs/dbraw/zinc/51/45/92/403514592.db2.gz FMSJLDASYZQBIU-JTQLQIEISA-N 1 2 303.318 2.117 20 5 DEBDLO CC[C@H]1C(=O)NCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347322609 403663404 /nfs/dbraw/zinc/66/34/04/403663404.db2.gz RJGLNSNMPAYVDH-LMRWQKIVSA-N 1 2 303.362 2.209 20 5 DEBDLO CC[C@H]1C(=O)NCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347322609 403663408 /nfs/dbraw/zinc/66/34/08/403663408.db2.gz RJGLNSNMPAYVDH-LMRWQKIVSA-N 1 2 303.362 2.209 20 5 DEBDLO CC(=O)c1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000287777670 403664957 /nfs/dbraw/zinc/66/49/57/403664957.db2.gz IFPAYEZQAZGOPW-VXGBXAGGSA-N 1 2 321.377 2.319 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000351905237 403995370 /nfs/dbraw/zinc/99/53/70/403995370.db2.gz SRTPCUOPVRUFBK-UHFFFAOYSA-N 1 2 318.333 2.352 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccon1 ZINC000351905237 403995377 /nfs/dbraw/zinc/99/53/77/403995377.db2.gz SRTPCUOPVRUFBK-UHFFFAOYSA-N 1 2 318.333 2.352 20 5 DEBDLO CC[C@H](C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000347998607 404002620 /nfs/dbraw/zinc/00/26/20/404002620.db2.gz IOTJQSPQMGHUEA-SMDDNHRTSA-N 1 2 310.350 2.151 20 5 DEBDLO C[C@H]([NH2+][C@@H](C)c1csnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412047225 404086384 /nfs/dbraw/zinc/08/63/84/404086384.db2.gz VJCGAHYTXNUNSR-IUCAKERBSA-N 1 2 321.362 2.124 20 5 DEBDLO CCOC(=O)CC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352131481 404165579 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O=[N+]([O-])c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1F ZINC000292015810 404627877 /nfs/dbraw/zinc/62/78/77/404627877.db2.gz XYQPNQVZJPOXSF-JTQLQIEISA-N 1 2 304.268 2.183 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1F ZINC000292015810 404627885 /nfs/dbraw/zinc/62/78/85/404627885.db2.gz XYQPNQVZJPOXSF-JTQLQIEISA-N 1 2 304.268 2.183 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000365583061 404694858 /nfs/dbraw/zinc/69/48/58/404694858.db2.gz OYWMYZBNNXHWNW-JTQLQIEISA-N 1 2 320.374 2.410 20 5 DEBDLO COc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000378410683 404956769 /nfs/dbraw/zinc/95/67/69/404956769.db2.gz IDCGTYNNUYMQOZ-NSHDSACASA-N 1 2 316.317 2.304 20 5 DEBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C[NH+]1CCCC1 ZINC000416333685 405108395 /nfs/dbraw/zinc/10/83/95/405108395.db2.gz MVAMOVBECOIJDH-UHFFFAOYSA-N 1 2 321.377 2.247 20 5 DEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000439466774 405280207 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Cc1nn(C[NH+]2CCC(c3ccon3)CC2)c(C)c1[N+](=O)[O-] ZINC000853592924 652575471 /nfs/dbraw/zinc/57/54/71/652575471.db2.gz HXOXEXBBCHVKIW-UHFFFAOYSA-N 1 2 305.338 2.233 20 5 DEBDLO COc1ccc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000863334383 686479092 /nfs/dbraw/zinc/47/90/92/686479092.db2.gz AKWKUAGHLBTGQG-LBPRGKRZSA-N 1 2 320.324 2.386 20 5 DEBDLO COc1ccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000863334383 686479094 /nfs/dbraw/zinc/47/90/94/686479094.db2.gz AKWKUAGHLBTGQG-LBPRGKRZSA-N 1 2 320.324 2.386 20 5 DEBDLO O=[N+]([O-])CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000930077452 694085277 /nfs/dbraw/zinc/08/52/77/694085277.db2.gz LHDMWFROHNASME-UHFFFAOYSA-N 1 2 303.284 2.104 20 5 DEBDLO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000872045566 688919177 /nfs/dbraw/zinc/91/91/77/688919177.db2.gz OSKNAUPEXYBSDJ-ZYHUDNBSSA-N 1 2 309.341 2.394 20 5 DEBDLO CC(C)c1cc([C@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000872791779 689094634 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C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000712530554 792200160 /nfs/dbraw/zinc/20/01/60/792200160.db2.gz OUOQXFXTOJHWNM-VIFPVBQESA-N 1 2 300.156 2.473 20 5 DEBDLO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000712530554 792200169 /nfs/dbraw/zinc/20/01/69/792200169.db2.gz OUOQXFXTOJHWNM-VIFPVBQESA-N 1 2 300.156 2.473 20 5 DEBDLO CCc1nocc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323315 794182312 /nfs/dbraw/zinc/18/23/12/794182312.db2.gz LDRLOAJOSFTKES-OAHLLOKOSA-N 1 2 305.334 2.143 20 5 DEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1cc2c[nH+]ccc2[nH]1 ZINC001156415753 797995416 /nfs/dbraw/zinc/99/54/16/797995416.db2.gz UAODJAWOGPOZDG-UHFFFAOYSA-N 1 2 310.313 2.444 20 5 DEBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ncc([N+](=O)[O-])cc1N ZINC001156788431 798083136 /nfs/dbraw/zinc/08/31/36/798083136.db2.gz YQUOTTUDNSQGCZ-UHFFFAOYSA-N 1 2 324.344 2.394 20 5 DEBDLO C[C@H]1CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CCC1=O ZINC001164369513 799584944 /nfs/dbraw/zinc/58/49/44/799584944.db2.gz 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CC[N@H+]1CC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228863497 803422676 /nfs/dbraw/zinc/42/26/76/803422676.db2.gz ZERIQAGGHGCVPY-SSDOTTSWSA-N 1 2 321.255 2.187 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(C(=O)OCCCc2c[nH+]cn2C)c1 ZINC001343734986 1150768393 /nfs/dbraw/zinc/76/83/93/1150768393.db2.gz ZSOLRDMWAUOVNP-UHFFFAOYSA-N 1 2 319.317 2.127 20 5 DEBDLO COc1ccc(C(=O)OCCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001345050787 1150861601 /nfs/dbraw/zinc/86/16/01/1150861601.db2.gz JAYPGBNMBIGCSL-UHFFFAOYSA-N 1 2 319.317 2.127 20 5 DEBDLO COc1cc(C(=O)OCC(C)(C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001346609287 1151008103 /nfs/dbraw/zinc/00/81/03/1151008103.db2.gz SAPYULJLUIVZRD-UHFFFAOYSA-N 1 2 319.317 2.392 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001522425582 1069354675 /nfs/dbraw/zinc/35/46/75/1069354675.db2.gz FRIWTESKGTYCSY-UHFFFAOYSA-N 1 2 320.374 2.474 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCc1c[nH+]cn1C ZINC001525846937 1070179835 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DEBDLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)on1 ZINC001560970236 1075148370 /nfs/dbraw/zinc/14/83/70/1075148370.db2.gz OTUKZYBZMKFJOP-UHFFFAOYSA-N 1 2 319.317 2.358 20 5 DEBDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC001620887623 1076686767 /nfs/dbraw/zinc/68/67/67/1076686767.db2.gz KUFWUWUJRXVTTD-SECBINFHSA-N 1 2 305.338 2.135 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001651699171 1079827344 /nfs/dbraw/zinc/82/73/44/1079827344.db2.gz HKOAAIYSBPEKDE-OASPWFOLSA-N 1 2 300.318 2.299 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001651699171 1079827347 /nfs/dbraw/zinc/82/73/47/1079827347.db2.gz HKOAAIYSBPEKDE-OASPWFOLSA-N 1 2 300.318 2.299 20 5 DEBDLO Cc1n[nH]cc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001659707855 1080247789 /nfs/dbraw/zinc/24/77/89/1080247789.db2.gz QRWNJRNKAPATNI-UHFFFAOYSA-N 1 2 301.306 2.400 20 5 DEBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001659707855 1080247795 /nfs/dbraw/zinc/24/77/95/1080247795.db2.gz QRWNJRNKAPATNI-UHFFFAOYSA-N 1 2 301.306 2.400 20 5 DEBDLO [NH3+][C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)F ZINC001340320185 1143323980 /nfs/dbraw/zinc/32/39/80/1143323980.db2.gz PULLLMCRXDEFBX-NSHDSACASA-N 1 2 313.304 2.068 20 5 DEBDLO CC(C)(COC(=O)Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001263544008 1144380700 /nfs/dbraw/zinc/38/07/00/1144380700.db2.gz OPZLCQUKKCNIBV-UHFFFAOYSA-N 1 2 303.318 2.312 20 5 DEBDLO Cc1cc(NC(=O)NCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001311321250 1147534780 /nfs/dbraw/zinc/53/47/80/1147534780.db2.gz ULXXCAKGBKROFO-UHFFFAOYSA-N 1 2 303.322 2.312 20 5 DEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])c(N)c1F ZINC000428678770 530015383 /nfs/dbraw/zinc/01/53/83/530015383.db2.gz IOXITVIPFDNJIJ-UHFFFAOYSA-N 1 2 319.340 2.485 20 5 DEBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000173336275 186177506 /nfs/dbraw/zinc/17/75/06/186177506.db2.gz WJCBIVLEKNHADX-LLVKDONJSA-N 1 2 301.350 2.373 20 5 DEBDLO CCOC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244697 198310094 /nfs/dbraw/zinc/31/00/94/198310094.db2.gz FCLSDLKXVPYTEB-LBPRGKRZSA-N 1 2 322.361 2.390 20 5 DEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000024381739 354064870 /nfs/dbraw/zinc/06/48/70/354064870.db2.gz PVKGONJBWZHXGR-UHFFFAOYSA-N 1 2 314.301 2.276 20 5 DEBDLO O=C(NCCNc1cccc[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000024690977 354067112 /nfs/dbraw/zinc/06/71/12/354067112.db2.gz PRLOVNBSVFTQKS-UHFFFAOYSA-N 1 2 301.306 2.223 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000042532372 354198688 /nfs/dbraw/zinc/19/86/88/354198688.db2.gz WNBHOAGVXPLCLX-SNVBAGLBSA-N 1 2 320.374 2.332 20 5 DEBDLO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000076921773 355173297 /nfs/dbraw/zinc/17/32/97/355173297.db2.gz QQQSUPPILPGHHK-VIFPVBQESA-N 1 2 306.351 2.249 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H]2C[C@@H]21 ZINC000588065805 357391414 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DEBDLO CC[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1cccc([N+](=O)[O-])c1 ZINC000595083145 358387537 /nfs/dbraw/zinc/38/75/37/358387537.db2.gz VHVMLMMPSAOUSH-LLVKDONJSA-N 1 2 320.374 2.391 20 5 DEBDLO Cc1noc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000595387940 358436850 /nfs/dbraw/zinc/43/68/50/358436850.db2.gz BKMOUGOVQQUUGM-NSHDSACASA-N 1 2 305.338 2.134 20 5 DEBDLO Cc1noc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000595387940 358436853 /nfs/dbraw/zinc/43/68/53/358436853.db2.gz BKMOUGOVQQUUGM-NSHDSACASA-N 1 2 305.338 2.134 20 5 DEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000595890119 358573537 /nfs/dbraw/zinc/57/35/37/358573537.db2.gz XQBFXHMEHQCLQA-UHFFFAOYSA-N 1 2 307.375 2.138 20 5 DEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000595890119 358573539 /nfs/dbraw/zinc/57/35/39/358573539.db2.gz XQBFXHMEHQCLQA-UHFFFAOYSA-N 1 2 307.375 2.138 20 5 DEBDLO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1[nH+]ccn1C ZINC000596541750 358709229 /nfs/dbraw/zinc/70/92/29/358709229.db2.gz FPBKISYFQGFSTO-SECBINFHSA-N 1 2 315.333 2.386 20 5 DEBDLO C[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000598464670 359208946 /nfs/dbraw/zinc/20/89/46/359208946.db2.gz LFIWMTBLFNTCIC-MNOVXSKESA-N 1 2 302.334 2.309 20 5 DEBDLO C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598465774 359210053 /nfs/dbraw/zinc/21/00/53/359210053.db2.gz ULHUDQLZPNLVAW-NSHDSACASA-N 1 2 316.361 2.483 20 5 DEBDLO CO[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000599190588 359430172 /nfs/dbraw/zinc/43/01/72/359430172.db2.gz ZTOXKCGPVIEALV-HDJSIYSDSA-N 1 2 321.377 2.016 20 5 DEBDLO CCOC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CCO1 ZINC000599619227 359544455 /nfs/dbraw/zinc/54/44/55/359544455.db2.gz UHDZJLWYMWVFQO-CQSZACIVSA-N 1 2 324.377 2.231 20 5 DEBDLO CCOC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CCO1 ZINC000599619227 359544459 /nfs/dbraw/zinc/54/44/59/359544459.db2.gz UHDZJLWYMWVFQO-CQSZACIVSA-N 1 2 324.377 2.231 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951296 359624067 /nfs/dbraw/zinc/62/40/67/359624067.db2.gz DCXJRWZNONBEEV-UHFFFAOYSA-N 1 2 300.318 2.133 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951296 359624072 /nfs/dbraw/zinc/62/40/72/359624072.db2.gz DCXJRWZNONBEEV-UHFFFAOYSA-N 1 2 300.318 2.133 20 5 DEBDLO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n(C)n1 ZINC000602655768 360478596 /nfs/dbraw/zinc/47/85/96/360478596.db2.gz VLPCANTWICYZRB-UHFFFAOYSA-N 1 2 301.306 2.068 20 5 DEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131483 361281413 /nfs/dbraw/zinc/28/14/13/361281413.db2.gz QRGVMGRINZBMTF-CQSZACIVSA-N 1 2 314.345 2.198 20 5 DEBDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610859895 361479363 /nfs/dbraw/zinc/47/93/63/361479363.db2.gz SWNNHQKQMYJFMH-UHFFFAOYSA-N 1 2 309.366 2.280 20 5 DEBDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610859895 361479364 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DEBDLO CC(C)n1ncnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282461864 217014315 /nfs/dbraw/zinc/01/43/15/217014315.db2.gz MWPKWWDYJMYGCF-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO CC(C)n1ncnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282461864 217014316 /nfs/dbraw/zinc/01/43/16/217014316.db2.gz MWPKWWDYJMYGCF-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)C2)ccc1Br ZINC000159421366 197352577 /nfs/dbraw/zinc/35/25/77/197352577.db2.gz UNMYCOBCUJJECQ-JTQLQIEISA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1Br ZINC000159421366 197352578 /nfs/dbraw/zinc/35/25/78/197352578.db2.gz UNMYCOBCUJJECQ-JTQLQIEISA-N 1 2 315.167 2.314 20 5 DEBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)[nH+]c12 ZINC000110004091 194303069 /nfs/dbraw/zinc/30/30/69/194303069.db2.gz HVYJCXLRSFFIAF-UHFFFAOYSA-N 1 2 300.274 2.074 20 5 DEBDLO COc1cc(C[NH2+]Cc2cc(C)on2)c([N+](=O)[O-])cc1OC ZINC000540573277 285121069 /nfs/dbraw/zinc/12/10/69/285121069.db2.gz VOEWUAQDICFAPF-UHFFFAOYSA-N 1 2 307.306 2.198 20 5 DEBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157196100 197168947 /nfs/dbraw/zinc/16/89/47/197168947.db2.gz DQDSPZFOVBCMJA-UHFFFAOYSA-N 1 2 311.294 2.238 20 5 DEBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000156282638 197101443 /nfs/dbraw/zinc/10/14/43/197101443.db2.gz JMBYRXRXCSFOGQ-NWDGAFQWSA-N 1 2 310.350 2.091 20 5 DEBDLO COc1ccc(OCC[N@H+]2CCO[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000156282638 197101444 /nfs/dbraw/zinc/10/14/44/197101444.db2.gz JMBYRXRXCSFOGQ-NWDGAFQWSA-N 1 2 310.350 2.091 20 5 DEBDLO Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000290041836 221396752 /nfs/dbraw/zinc/39/67/52/221396752.db2.gz GRAIVSSSPBJARH-UHFFFAOYSA-N 1 2 301.306 2.147 20 5 DEBDLO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359778974 133144064 /nfs/dbraw/zinc/14/40/64/133144064.db2.gz SMYXMULKJAZEFU-NSHDSACASA-N 1 2 309.366 2.151 20 5 DEBDLO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359778974 133144065 /nfs/dbraw/zinc/14/40/65/133144065.db2.gz SMYXMULKJAZEFU-NSHDSACASA-N 1 2 309.366 2.151 20 5 DEBDLO Cn1c[nH+]cc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000360297463 133174159 /nfs/dbraw/zinc/17/41/59/133174159.db2.gz XPWDEKDMUTYYQC-UHFFFAOYSA-N 1 2 317.349 2.063 20 5 DEBDLO Cc1c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000376528487 133299256 /nfs/dbraw/zinc/29/92/56/133299256.db2.gz QBWUJTHUGWRGRT-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377663999 133339336 /nfs/dbraw/zinc/33/93/36/133339336.db2.gz WNMUFIYFPNBOKW-LBPRGKRZSA-N 1 2 300.318 2.054 20 5 DEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000377663999 133339337 /nfs/dbraw/zinc/33/93/37/133339337.db2.gz WNMUFIYFPNBOKW-LBPRGKRZSA-N 1 2 300.318 2.054 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373054176 133375732 /nfs/dbraw/zinc/37/57/32/133375732.db2.gz FRIRMXDTHPKERD-ZDUSSCGKSA-N 1 2 314.345 2.348 20 5 DEBDLO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000563831194 292075506 /nfs/dbraw/zinc/07/55/06/292075506.db2.gz JUEPCZSBBHMDMQ-GFCCVEGCSA-N 1 2 321.377 2.247 20 5 DEBDLO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000563831194 292075507 /nfs/dbraw/zinc/07/55/07/292075507.db2.gz JUEPCZSBBHMDMQ-GFCCVEGCSA-N 1 2 321.377 2.247 20 5 DEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCNC1=O ZINC000192786514 145078874 /nfs/dbraw/zinc/07/88/74/145078874.db2.gz CTPDBMUGNDUHPH-ZDUSSCGKSA-N 1 2 311.769 2.349 20 5 DEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCNC1=O ZINC000192786514 145078875 /nfs/dbraw/zinc/07/88/75/145078875.db2.gz CTPDBMUGNDUHPH-ZDUSSCGKSA-N 1 2 311.769 2.349 20 5 DEBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](c2ccccc2)O1 ZINC000246304282 145097635 /nfs/dbraw/zinc/09/76/35/145097635.db2.gz YXEMXVBZDLULRT-HIFRSBDPSA-N 1 2 316.361 2.253 20 5 DEBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](c2ccccc2)O1 ZINC000246304282 145097636 /nfs/dbraw/zinc/09/76/36/145097636.db2.gz YXEMXVBZDLULRT-HIFRSBDPSA-N 1 2 316.361 2.253 20 5 DEBDLO CC[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000317404858 145366325 /nfs/dbraw/zinc/36/63/25/145366325.db2.gz HEZJJNHQAPYUIT-JTQLQIEISA-N 1 2 303.322 2.241 20 5 DEBDLO CCN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000348414664 146268692 /nfs/dbraw/zinc/26/86/92/146268692.db2.gz XHBCCYCWSOIADN-OAHLLOKOSA-N 1 2 315.377 2.197 20 5 DEBDLO CCN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000348414664 146268693 /nfs/dbraw/zinc/26/86/93/146268693.db2.gz XHBCCYCWSOIADN-OAHLLOKOSA-N 1 2 315.377 2.197 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349232991 146360171 /nfs/dbraw/zinc/36/01/71/146360171.db2.gz CFPMIDSBCPKDKC-JTQLQIEISA-N 1 2 304.306 2.181 20 5 DEBDLO Cc1c(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000359016919 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DEBDLO COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000291238406 222248060 /nfs/dbraw/zinc/24/80/60/222248060.db2.gz KZSWALNHGHFHAX-LLVKDONJSA-N 1 2 316.304 2.053 20 5 DEBDLO Nc1nccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000548413651 424871169 /nfs/dbraw/zinc/87/11/69/424871169.db2.gz ZZYJAEJXTDAXPB-UHFFFAOYSA-N 1 2 324.300 2.214 20 5 DEBDLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000193785318 424871291 /nfs/dbraw/zinc/87/12/91/424871291.db2.gz SWSBLVWUFSOSPF-GFCCVEGCSA-N 1 2 321.377 2.423 20 5 DEBDLO CCCCNc1cc(NCc2ccc([N+](=O)[O-])cc2)nc(N)[nH+]1 ZINC000341551989 424954750 /nfs/dbraw/zinc/95/47/50/424954750.db2.gz CUONASSPDLZSMV-UHFFFAOYSA-N 1 2 316.365 2.213 20 5 DEBDLO CCCCNc1cc(NCc2ccc([N+](=O)[O-])cc2)[nH+]c(N)n1 ZINC000341551989 424954752 /nfs/dbraw/zinc/95/47/52/424954752.db2.gz CUONASSPDLZSMV-UHFFFAOYSA-N 1 2 316.365 2.213 20 5 DEBDLO Cc1c[nH+]ccc1CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000397533174 269106905 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Cn1cnnc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279154057 279393524 /nfs/dbraw/zinc/39/35/24/279393524.db2.gz SWOBJDZLONWTOD-CYBMUJFWSA-N 1 2 301.350 2.236 20 5 DEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000184343488 303498134 /nfs/dbraw/zinc/49/81/34/303498134.db2.gz USLIKHMJQUIEGY-CYBMUJFWSA-N 1 2 315.333 2.268 20 5 DEBDLO O=C1NCC[C@]12CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000573015913 326011882 /nfs/dbraw/zinc/01/18/82/326011882.db2.gz BGRHSMDPTWLIJM-CQSZACIVSA-N 1 2 309.753 2.103 20 5 DEBDLO O=C1NCC[C@]12CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000573015913 326011884 /nfs/dbraw/zinc/01/18/84/326011884.db2.gz BGRHSMDPTWLIJM-CQSZACIVSA-N 1 2 309.753 2.103 20 5 DEBDLO C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000575762588 326244051 /nfs/dbraw/zinc/24/40/51/326244051.db2.gz YTJAKCMYCMOAFE-RKDXNWHRSA-N 1 2 306.297 2.438 20 5 DEBDLO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246092735 523602362 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309.391 2.359 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@@H](C)C1 ZINC000246179247 526161266 /nfs/dbraw/zinc/16/12/66/526161266.db2.gz UMOKIPUCQSNNHB-WDEREUQCSA-N 1 2 309.391 2.359 20 5 DEBDLO Cc1cnn([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000339205139 526269448 /nfs/dbraw/zinc/26/94/48/526269448.db2.gz RADMPFYTBLDWNJ-ZDUSSCGKSA-N 1 2 302.334 2.252 20 5 DEBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000339205139 526269449 /nfs/dbraw/zinc/26/94/49/526269449.db2.gz RADMPFYTBLDWNJ-ZDUSSCGKSA-N 1 2 302.334 2.252 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCSCC3)c2)cc1 ZINC000103457865 625752756 /nfs/dbraw/zinc/75/27/56/625752756.db2.gz YCHDQYUJSHCJEL-UHFFFAOYSA-N 1 2 304.375 2.465 20 5 DEBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCc2c[nH+]cn2C)cc1C ZINC000893898598 636057711 /nfs/dbraw/zinc/05/77/11/636057711.db2.gz ODLKQMPGNOPGHS-UHFFFAOYSA-N 1 2 318.333 2.426 20 5 DEBDLO Cc1coc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000894962406 637350482 /nfs/dbraw/zinc/35/04/82/637350482.db2.gz IDEUXQQPTPGYEU-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO CCC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102453 637448218 /nfs/dbraw/zinc/44/82/18/637448218.db2.gz RZTNLYUDOOXYNL-SNVBAGLBSA-N 1 2 317.301 2.305 20 5 DEBDLO Cc1nn(C[NH+]2CCC(OCC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000743406173 638144525 /nfs/dbraw/zinc/14/45/25/638144525.db2.gz GCYHKJAVGQYEOU-UHFFFAOYSA-N 1 2 308.382 2.257 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1cc(OC)ccc1[N+](=O)[O-])C2 ZINC000896655131 638626752 /nfs/dbraw/zinc/62/67/52/638626752.db2.gz SUKXEKDQHOZMSS-UHFFFAOYSA-N 1 2 302.334 2.383 20 5 DEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728562212 639258363 /nfs/dbraw/zinc/25/83/63/639258363.db2.gz ILMAGFHQFIIAIQ-GFCCVEGCSA-N 1 2 315.329 2.023 20 5 DEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728562212 639258367 /nfs/dbraw/zinc/25/83/67/639258367.db2.gz ILMAGFHQFIIAIQ-GFCCVEGCSA-N 1 2 315.329 2.023 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761085358 640267416 /nfs/dbraw/zinc/26/74/16/640267416.db2.gz BLRCJZLLGIWBJX-CWSCBRNRSA-N 1 2 305.334 2.025 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761085358 640267422 /nfs/dbraw/zinc/26/74/22/640267422.db2.gz BLRCJZLLGIWBJX-CWSCBRNRSA-N 1 2 305.334 2.025 20 5 DEBDLO O=C(OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])[nH]1 ZINC000765969150 640834717 /nfs/dbraw/zinc/83/47/17/640834717.db2.gz WOJKIOGADISFAS-LLVKDONJSA-N 1 2 319.317 2.337 20 5 DEBDLO O=C(OC[C@H]1CCC[N@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])[nH]1 ZINC000765969150 640834720 /nfs/dbraw/zinc/83/47/20/640834720.db2.gz WOJKIOGADISFAS-LLVKDONJSA-N 1 2 319.317 2.337 20 5 DEBDLO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000768194133 641058584 /nfs/dbraw/zinc/05/85/84/641058584.db2.gz PCMOYFCYMNNPQU-UHFFFAOYSA-N 1 2 317.345 2.244 20 5 DEBDLO Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000768194133 641058588 /nfs/dbraw/zinc/05/85/88/641058588.db2.gz PCMOYFCYMNNPQU-UHFFFAOYSA-N 1 2 317.345 2.244 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779886011 642554518 /nfs/dbraw/zinc/55/45/18/642554518.db2.gz SEEMBRKZLGHOQQ-AWEZNQCLSA-N 1 2 316.361 2.458 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779886011 642554521 /nfs/dbraw/zinc/55/45/21/642554521.db2.gz SEEMBRKZLGHOQQ-AWEZNQCLSA-N 1 2 316.361 2.458 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000842615797 650782931 /nfs/dbraw/zinc/78/29/31/650782931.db2.gz AAHPZZCWBGKZLR-AWEZNQCLSA-N 1 2 302.334 2.211 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000842615797 650782933 /nfs/dbraw/zinc/78/29/33/650782933.db2.gz AAHPZZCWBGKZLR-AWEZNQCLSA-N 1 2 302.334 2.211 20 5 DEBDLO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000902097255 642915679 /nfs/dbraw/zinc/91/56/79/642915679.db2.gz WTERHLJQJQCONQ-UHFFFAOYSA-N 1 2 321.377 2.014 20 5 DEBDLO O=C(OCC1CN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000842891545 650846437 /nfs/dbraw/zinc/84/64/37/650846437.db2.gz WLYVCUSFSHUFSN-UHFFFAOYSA-N 1 2 313.313 2.283 20 5 DEBDLO COc1ccc(OC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000904853043 643743067 /nfs/dbraw/zinc/74/30/67/643743067.db2.gz UEWOPAFDCMOCBF-GFCCVEGCSA-N 1 2 308.334 2.382 20 5 DEBDLO COc1ccc(OC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000904853043 643743069 /nfs/dbraw/zinc/74/30/69/643743069.db2.gz UEWOPAFDCMOCBF-GFCCVEGCSA-N 1 2 308.334 2.382 20 5 DEBDLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908968326 645049058 /nfs/dbraw/zinc/04/90/58/645049058.db2.gz DPSJBFSVTKCZRA-ZDUSSCGKSA-N 1 2 314.345 2.267 20 5 DEBDLO Cc1cc(F)cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000150803565 646122140 /nfs/dbraw/zinc/12/21/40/646122140.db2.gz KKQMOGPJNNEFLZ-SNVBAGLBSA-N 1 2 320.324 2.305 20 5 DEBDLO COc1ccc(CNc2cc(N(C)C)nc[nH+]2)cc1[N+](=O)[O-] ZINC000813354821 646762594 /nfs/dbraw/zinc/76/25/94/646762594.db2.gz HDLSEZDYQRAAGU-UHFFFAOYSA-N 1 2 303.322 2.072 20 5 DEBDLO COc1ccc(CNc2cc(N(C)C)[nH+]cn2)cc1[N+](=O)[O-] ZINC000813354821 646762597 /nfs/dbraw/zinc/76/25/97/646762597.db2.gz HDLSEZDYQRAAGU-UHFFFAOYSA-N 1 2 303.322 2.072 20 5 DEBDLO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174025244 646788083 /nfs/dbraw/zinc/78/80/83/646788083.db2.gz OHCWJVMWFLAWTL-HNNXBMFYSA-N 1 2 323.368 2.031 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825513738 648772996 /nfs/dbraw/zinc/77/29/96/648772996.db2.gz WDIFNOXMSGJQRW-HZSPNIEDSA-N 1 2 312.329 2.156 20 5 DEBDLO Cc1cc(Cl)c(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000828222836 649151174 /nfs/dbraw/zinc/15/11/74/649151174.db2.gz HPOBYZYKQKWEDJ-UHFFFAOYSA-N 1 2 322.752 2.263 20 5 DEBDLO O=C(NOCCC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000832845252 649753440 /nfs/dbraw/zinc/75/34/40/649753440.db2.gz JUGBAWUKEIVPNT-UHFFFAOYSA-N 1 2 316.317 2.242 20 5 DEBDLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1 ZINC000857979500 652228003 /nfs/dbraw/zinc/22/80/03/652228003.db2.gz PKFFLKXHEBIZRV-MFKMUULPSA-N 1 2 300.318 2.156 20 5 DEBDLO CCn1ncc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000858444167 652338238 /nfs/dbraw/zinc/33/82/38/652338238.db2.gz KNBSBNICELEDEE-OAHLLOKOSA-N 1 2 301.350 2.373 20 5 DEBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000136208226 684238332 /nfs/dbraw/zinc/23/83/32/684238332.db2.gz OWBLYCBVJPCFJT-UHFFFAOYSA-N 1 2 318.308 2.361 20 5 DEBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+](C1CC1)C1CC1 ZINC000863303134 686472436 /nfs/dbraw/zinc/47/24/36/686472436.db2.gz QBQMLORDWKHJFO-MRXNPFEDSA-N 1 2 317.345 2.116 20 5 DEBDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930124974 694095806 /nfs/dbraw/zinc/09/58/06/694095806.db2.gz LPTWVXICHYTTIC-IUCAKERBSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930124974 694095812 /nfs/dbraw/zinc/09/58/12/694095812.db2.gz LPTWVXICHYTTIC-IUCAKERBSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000872051978 688919840 /nfs/dbraw/zinc/91/98/40/688919840.db2.gz LUTUCRQXXZVEQV-SUNKGSAMSA-N 1 2 311.357 2.104 20 5 DEBDLO C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000872051978 688919843 /nfs/dbraw/zinc/91/98/43/688919843.db2.gz LUTUCRQXXZVEQV-SUNKGSAMSA-N 1 2 311.357 2.104 20 5 DEBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccnc1[N+](=O)[O-] ZINC000885946922 691968417 /nfs/dbraw/zinc/96/84/17/691968417.db2.gz VCECDDUXFADEJN-UHFFFAOYSA-N 1 2 301.302 2.351 20 5 DEBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccnc1[N+](=O)[O-] ZINC000885946922 691968420 /nfs/dbraw/zinc/96/84/20/691968420.db2.gz VCECDDUXFADEJN-UHFFFAOYSA-N 1 2 301.302 2.351 20 5 DEBDLO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000886596231 692124540 /nfs/dbraw/zinc/12/45/40/692124540.db2.gz ZNYFEWDXWFZORW-CYBMUJFWSA-N 1 2 321.377 2.103 20 5 DEBDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000886596231 692124543 /nfs/dbraw/zinc/12/45/43/692124543.db2.gz ZNYFEWDXWFZORW-CYBMUJFWSA-N 1 2 321.377 2.103 20 5 DEBDLO CC(C)OC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886733120 692177584 /nfs/dbraw/zinc/17/75/84/692177584.db2.gz ZJUJCEYWFBGCHR-UHFFFAOYSA-N 1 2 307.350 2.153 20 5 DEBDLO C[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000932176758 694568188 /nfs/dbraw/zinc/56/81/88/694568188.db2.gz BQJJZRUFEMWSNF-SNVBAGLBSA-N 1 2 304.354 2.187 20 5 DEBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCn1cc[nH+]c1 ZINC000923960902 693078221 /nfs/dbraw/zinc/07/82/21/693078221.db2.gz BOGPMONWOSJVHR-UHFFFAOYSA-N 1 2 307.281 2.106 20 5 DEBDLO Cc1cc(-c2noc([C@@H]3C[N@@H+](C)C[C@@H](C)O3)n2)cc([N+](=O)[O-])c1 ZINC000924092327 693089704 /nfs/dbraw/zinc/08/97/04/693089704.db2.gz CSHPVPNAZAFVSA-MFKMUULPSA-N 1 2 318.333 2.345 20 5 DEBDLO Cc1cc(-c2noc([C@@H]3C[N@H+](C)C[C@@H](C)O3)n2)cc([N+](=O)[O-])c1 ZINC000924092327 693089708 /nfs/dbraw/zinc/08/97/08/693089708.db2.gz CSHPVPNAZAFVSA-MFKMUULPSA-N 1 2 318.333 2.345 20 5 DEBDLO Cc1cncc([N+](=O)[O-])c1NCCc1cn2c(cccc2C)[nH+]1 ZINC001345742769 1150911847 /nfs/dbraw/zinc/91/18/47/1150911847.db2.gz SFLJNLMYPBMNRL-UHFFFAOYSA-N 1 2 311.345 2.331 20 5 DEBDLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC001350602884 1151373831 /nfs/dbraw/zinc/37/38/31/1151373831.db2.gz KMFFUGDKMNNABH-LLVKDONJSA-N 1 2 302.334 2.138 20 5 DEBDLO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]CC2(F)F)c1Br ZINC001218231610 777872095 /nfs/dbraw/zinc/87/20/95/777872095.db2.gz LOUYHCLNXWONOO-QMMMGPOBSA-N 1 2 323.093 2.343 20 5 DEBDLO CCN(CCn1cc[nH+]c1)c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001157459885 786400981 /nfs/dbraw/zinc/40/09/81/786400981.db2.gz MHVPUPSGDGBOEV-UHFFFAOYSA-N 1 2 310.745 2.070 20 5 DEBDLO COC(=O)[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170298012 786892927 /nfs/dbraw/zinc/89/29/27/786892927.db2.gz YEAUERPAAPTEHM-MEBBXXQBSA-N 1 2 322.361 2.076 20 5 DEBDLO Cc1c[nH+]cc(C)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001133452779 788435834 /nfs/dbraw/zinc/43/58/34/788435834.db2.gz JLMFIMVPLXJVSW-UHFFFAOYSA-N 1 2 301.302 2.046 20 5 DEBDLO O=[N+]([O-])c1ccccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001206157879 793327264 /nfs/dbraw/zinc/32/72/64/793327264.db2.gz HVRYJASNFRETEZ-LBPRGKRZSA-N 1 2 300.318 2.304 20 5 DEBDLO CCCOC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908844 793525140 /nfs/dbraw/zinc/52/51/40/793525140.db2.gz ZUZCKQYNBVSXOR-AWEZNQCLSA-N 1 2 306.362 2.385 20 5 DEBDLO CC(C)N1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001173230276 793644175 /nfs/dbraw/zinc/64/41/75/793644175.db2.gz DNNJPUGDRQGWKA-ZDUSSCGKSA-N 1 2 305.378 2.078 20 5 DEBDLO CC(C)N1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001173230276 793644182 /nfs/dbraw/zinc/64/41/82/793644182.db2.gz DNNJPUGDRQGWKA-ZDUSSCGKSA-N 1 2 305.378 2.078 20 5 DEBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc2ccc3cccnc3c2n1 ZINC001161946474 798976015 /nfs/dbraw/zinc/97/60/15/798976015.db2.gz ZHGSCBGKPATQCK-CYBMUJFWSA-N 1 2 310.357 2.085 20 5 DEBDLO O=[N+]([O-])c1cnc(Cl)nc1NCc1ccc2[nH+]ccn2c1 ZINC001163136263 799257264 /nfs/dbraw/zinc/25/72/64/799257264.db2.gz FBXRTBDVFVSILZ-UHFFFAOYSA-N 1 2 304.697 2.298 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)c1 ZINC000933672719 800158804 /nfs/dbraw/zinc/15/88/04/800158804.db2.gz RKLSDLSXXDTBMC-HOTGVXAUSA-N 1 2 306.362 2.365 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)c1 ZINC000933672719 800158808 /nfs/dbraw/zinc/15/88/08/800158808.db2.gz RKLSDLSXXDTBMC-HOTGVXAUSA-N 1 2 306.362 2.365 20 5 DEBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229961803 801342092 /nfs/dbraw/zinc/34/20/92/801342092.db2.gz ATCQLFICFRFAOS-JTQLQIEISA-N 1 2 300.742 2.348 20 5 DEBDLO C[C@@H]1CC[NH2+]C[C@@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001218483371 802190375 /nfs/dbraw/zinc/19/03/75/802190375.db2.gz XKAFSKIUTXBHQM-SVRRBLITSA-N 1 2 321.255 2.091 20 5 DEBDLO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001575115872 1069370962 /nfs/dbraw/zinc/37/09/62/1069370962.db2.gz MBTDCETXNCUCGP-INIZCTEOSA-N 1 2 321.377 2.138 20 5 DEBDLO C[C@]1(F)CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603809269 1070108956 /nfs/dbraw/zinc/10/89/56/1070108956.db2.gz FFIPDSZIRTUCBS-AWEZNQCLSA-N 1 2 320.328 2.099 20 5 DEBDLO C[C@]1(F)CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603809269 1070108962 /nfs/dbraw/zinc/10/89/62/1070108962.db2.gz FFIPDSZIRTUCBS-AWEZNQCLSA-N 1 2 320.328 2.099 20 5 DEBDLO Cc1c[nH+]c2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccn12 ZINC001526230225 1070238754 /nfs/dbraw/zinc/23/87/54/1070238754.db2.gz HSXFUXIQYLWOJN-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001466442357 1059471614 /nfs/dbraw/zinc/47/16/14/1059471614.db2.gz BNIQWUMMXRAHLV-NSHDSACASA-N 1 2 315.333 2.155 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001470551030 1060110772 /nfs/dbraw/zinc/11/07/72/1060110772.db2.gz CXPGRTITTWNDST-SNVBAGLBSA-N 1 2 306.709 2.320 20 5 DEBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001471701153 1060282181 /nfs/dbraw/zinc/28/21/81/1060282181.db2.gz YMIZUYXKBOIMJS-MVWJERBFSA-N 1 2 300.318 2.299 20 5 DEBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC001471701153 1060282201 /nfs/dbraw/zinc/28/22/01/1060282201.db2.gz YMIZUYXKBOIMJS-MVWJERBFSA-N 1 2 300.318 2.299 20 5 DEBDLO C[NH+](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(Cl)c1 ZINC001471842349 1060323442 /nfs/dbraw/zinc/32/34/42/1060323442.db2.gz WWOQDBDUJUIFFC-LBPRGKRZSA-N 1 2 323.740 2.213 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c[nH+]1 ZINC001472021242 1060364321 /nfs/dbraw/zinc/36/43/21/1060364321.db2.gz UAUOOMGIADQTHE-UHFFFAOYSA-N 1 2 302.334 2.427 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH+]1 ZINC001472021242 1060364342 /nfs/dbraw/zinc/36/43/42/1060364342.db2.gz UAUOOMGIADQTHE-UHFFFAOYSA-N 1 2 302.334 2.427 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC001617621372 1078145856 /nfs/dbraw/zinc/14/58/56/1078145856.db2.gz WJAMMUKJPNMVOT-LBPRGKRZSA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC001617621372 1078145858 /nfs/dbraw/zinc/14/58/58/1078145858.db2.gz WJAMMUKJPNMVOT-LBPRGKRZSA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)cc1[N+](=O)[O-] ZINC001617621372 1078145861 /nfs/dbraw/zinc/14/58/61/1078145861.db2.gz WJAMMUKJPNMVOT-LBPRGKRZSA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)cc1[N+](=O)[O-] ZINC001617621372 1078145863 /nfs/dbraw/zinc/14/58/63/1078145863.db2.gz WJAMMUKJPNMVOT-LBPRGKRZSA-N 1 2 318.333 2.371 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCN(C)c1cccc[nH+]1 ZINC001640330543 1078655012 /nfs/dbraw/zinc/65/50/12/1078655012.db2.gz URIPAVZUAFJFHM-UHFFFAOYSA-N 1 2 318.381 2.453 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c[nH+]1 ZINC001645212812 1078885295 /nfs/dbraw/zinc/88/52/95/1078885295.db2.gz LUWNUIULFQGTRB-UHFFFAOYSA-N 1 2 302.334 2.373 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[nH+]1 ZINC001645212812 1078885299 /nfs/dbraw/zinc/88/52/99/1078885299.db2.gz LUWNUIULFQGTRB-UHFFFAOYSA-N 1 2 302.334 2.373 20 5 DEBDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N)c1cccc([N+](=O)[O-])c1 ZINC001563675586 1075169113 /nfs/dbraw/zinc/16/91/13/1075169113.db2.gz RMOCHDVYBWSEJT-SNVBAGLBSA-N 1 2 315.333 2.132 20 5 DEBDLO CC(C)c1[nH]cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001597805787 1077101621 /nfs/dbraw/zinc/10/16/21/1077101621.db2.gz DHWPAMLAOKIDIT-UHFFFAOYSA-N 1 2 302.334 2.300 20 5 DEBDLO CC(C)c1[nH]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001597805787 1077101624 /nfs/dbraw/zinc/10/16/24/1077101624.db2.gz DHWPAMLAOKIDIT-UHFFFAOYSA-N 1 2 302.334 2.300 20 5 DEBDLO O=c1[nH]ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC001651450999 1079812242 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CC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090172690 355560430 /nfs/dbraw/zinc/56/04/30/355560430.db2.gz DDDPAPMFDWPVOG-CYBMUJFWSA-N 1 2 302.338 2.157 20 5 DEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000092095316 355616997 /nfs/dbraw/zinc/61/69/97/355616997.db2.gz IKMPAVSGYDMCSX-BMFZPTHFSA-N 1 2 322.361 2.069 20 5 DEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000092095316 355617000 /nfs/dbraw/zinc/61/70/00/355617000.db2.gz IKMPAVSGYDMCSX-BMFZPTHFSA-N 1 2 322.361 2.069 20 5 DEBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000136193445 355867200 /nfs/dbraw/zinc/86/72/00/355867200.db2.gz VAGZUTKGJYYFOL-UHFFFAOYSA-N 1 2 318.308 2.361 20 5 DEBDLO Cn1c[nH+]cc1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000290733848 356379362 /nfs/dbraw/zinc/37/93/62/356379362.db2.gz BEHZTUDDZUIPPP-UHFFFAOYSA-N 1 2 301.228 2.354 20 5 DEBDLO CC(C)c1ccc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000291437489 356381209 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Cc1c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000592130181 357836736 /nfs/dbraw/zinc/83/67/36/357836736.db2.gz YUSBCXDVSBBVJK-ZDUSSCGKSA-N 1 2 311.332 2.428 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)CO1 ZINC000593063871 357999000 /nfs/dbraw/zinc/99/90/00/357999000.db2.gz QAUYEMYQBJXGKS-XHDPSFHLSA-N 1 2 322.361 2.461 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)CO1 ZINC000593063871 357999004 /nfs/dbraw/zinc/99/90/04/357999004.db2.gz QAUYEMYQBJXGKS-XHDPSFHLSA-N 1 2 322.361 2.461 20 5 DEBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593536630 358099384 /nfs/dbraw/zinc/09/93/84/358099384.db2.gz AXEIWRGUAPHLCR-UHFFFAOYSA-N 1 2 320.324 2.022 20 5 DEBDLO C[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180200442 199129629 /nfs/dbraw/zinc/12/96/29/199129629.db2.gz CMNHIDWMJDEFFU-ZDUSSCGKSA-N 1 2 302.277 2.153 20 5 DEBDLO C[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180200442 199129631 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DEBDLO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000595334746 358424894 /nfs/dbraw/zinc/42/48/94/358424894.db2.gz AAPLLPDSWPCPQU-CHWSQXEVSA-N 1 2 324.381 2.113 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000595334746 358424898 /nfs/dbraw/zinc/42/48/98/358424898.db2.gz AAPLLPDSWPCPQU-CHWSQXEVSA-N 1 2 324.381 2.113 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000595350999 358428503 /nfs/dbraw/zinc/42/85/03/358428503.db2.gz DINWWPIFFAAIRE-UHFFFAOYSA-N 1 2 310.325 2.115 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000595350999 358428507 /nfs/dbraw/zinc/42/85/07/358428507.db2.gz DINWWPIFFAAIRE-UHFFFAOYSA-N 1 2 310.325 2.115 20 5 DEBDLO CC[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596050640 358598154 /nfs/dbraw/zinc/59/81/54/358598154.db2.gz MJJCYFCQSULKBS-UHFFFAOYSA-N 1 2 314.183 2.499 20 5 DEBDLO CC(=O)c1ccc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596427329 358683710 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2.091 20 5 DEBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000599700484 359578892 /nfs/dbraw/zinc/57/88/92/359578892.db2.gz HATHYFJCZMJORN-GFCCVEGCSA-N 1 2 309.341 2.225 20 5 DEBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000599700484 359578897 /nfs/dbraw/zinc/57/88/97/359578897.db2.gz HATHYFJCZMJORN-GFCCVEGCSA-N 1 2 309.341 2.225 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601375735 360023322 /nfs/dbraw/zinc/02/33/22/360023322.db2.gz ZZOKHONDSWNJOH-SNVBAGLBSA-N 1 2 318.308 2.097 20 5 DEBDLO C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601617516 360088774 /nfs/dbraw/zinc/08/87/74/360088774.db2.gz SPCJXXKMLYSVNS-PSASIEDQSA-N 1 2 304.281 2.366 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602691538 360500848 /nfs/dbraw/zinc/50/08/48/360500848.db2.gz WSKPPJFZNCCYNF-AOOOYVTPSA-N 1 2 301.302 2.432 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602691538 360500850 /nfs/dbraw/zinc/50/08/50/360500850.db2.gz WSKPPJFZNCCYNF-AOOOYVTPSA-N 1 2 301.302 2.432 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609130923 361281014 /nfs/dbraw/zinc/28/10/14/361281014.db2.gz BXOILYVRZQYEJI-AWEZNQCLSA-N 1 2 300.318 2.269 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585227 361427653 /nfs/dbraw/zinc/42/76/53/361427653.db2.gz GSGNUIAETBKFJV-MFKMUULPSA-N 1 2 305.334 2.026 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585227 361427660 /nfs/dbraw/zinc/42/76/60/361427660.db2.gz GSGNUIAETBKFJV-MFKMUULPSA-N 1 2 305.334 2.026 20 5 DEBDLO Cc1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[nH]n1 ZINC000611132440 361531685 /nfs/dbraw/zinc/53/16/85/361531685.db2.gz CEQKLHUPAKPRSL-UHFFFAOYSA-N 1 2 324.344 2.426 20 5 DEBDLO CCCCC[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611553672 361628387 /nfs/dbraw/zinc/62/83/87/361628387.db2.gz UDAJRADQAVGQCD-UHFFFAOYSA-N 1 2 320.349 2.214 20 5 DEBDLO CCCCC[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611553672 361628394 /nfs/dbraw/zinc/62/83/94/361628394.db2.gz UDAJRADQAVGQCD-UHFFFAOYSA-N 1 2 320.349 2.214 20 5 DEBDLO CSCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449898728 241227855 /nfs/dbraw/zinc/22/78/55/241227855.db2.gz YGJVHABMNPQGEE-UHFFFAOYSA-N 1 2 320.374 2.263 20 5 DEBDLO CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450033866 241365962 /nfs/dbraw/zinc/36/59/62/241365962.db2.gz IKOKOEULCMGEKK-UHFFFAOYSA-N 1 2 300.318 2.310 20 5 DEBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093420511 193248012 /nfs/dbraw/zinc/24/80/12/193248012.db2.gz HNDSYMLTTMFRDJ-NWDGAFQWSA-N 1 2 314.407 2.157 20 5 DEBDLO Cc1ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093420511 193248013 /nfs/dbraw/zinc/24/80/13/193248013.db2.gz HNDSYMLTTMFRDJ-NWDGAFQWSA-N 1 2 314.407 2.157 20 5 DEBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282576260 217099238 /nfs/dbraw/zinc/09/92/38/217099238.db2.gz VOQSDQIPVIICNR-UHFFFAOYSA-N 1 2 321.352 2.178 20 5 DEBDLO O=C(C1CC1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282576260 217099242 /nfs/dbraw/zinc/09/92/42/217099242.db2.gz VOQSDQIPVIICNR-UHFFFAOYSA-N 1 2 321.352 2.178 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000456394816 247155800 /nfs/dbraw/zinc/15/58/00/247155800.db2.gz RGCXUIVOVMWQMI-QMMMGPOBSA-N 1 2 321.312 2.024 20 5 DEBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456359404 247123203 /nfs/dbraw/zinc/12/32/03/247123203.db2.gz CUKOIMAVRIMXFT-UFBFGSQYSA-N 1 2 304.281 2.366 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000456374216 247137538 /nfs/dbraw/zinc/13/75/38/247137538.db2.gz GEBXRYDCUKIATL-JTQLQIEISA-N 1 2 318.333 2.311 20 5 DEBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000267934565 206347543 /nfs/dbraw/zinc/34/75/43/206347543.db2.gz STXOHAUJQTVRPC-UHFFFAOYSA-N 1 2 314.345 2.450 20 5 DEBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000267934565 206347548 /nfs/dbraw/zinc/34/75/48/206347548.db2.gz STXOHAUJQTVRPC-UHFFFAOYSA-N 1 2 314.345 2.450 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492858380 249156252 /nfs/dbraw/zinc/15/62/52/249156252.db2.gz ZFQKVXJBSJHWHR-QPJJXVBHSA-N 1 2 313.313 2.328 20 5 DEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119090485 194972257 /nfs/dbraw/zinc/97/22/57/194972257.db2.gz OTIIWIMJFCNLRX-UHFFFAOYSA-N 1 2 303.322 2.140 20 5 DEBDLO Cc1c(C[N@H+]2CCC[C@H]2c2nncn2C)cccc1[N+](=O)[O-] ZINC000156971948 197153848 /nfs/dbraw/zinc/15/38/48/197153848.db2.gz PROWIPCVHKAFPT-AWEZNQCLSA-N 1 2 301.350 2.369 20 5 DEBDLO Cc1c(C[N@@H+]2CCC[C@H]2c2nncn2C)cccc1[N+](=O)[O-] ZINC000156971948 197153850 /nfs/dbraw/zinc/15/38/50/197153850.db2.gz PROWIPCVHKAFPT-AWEZNQCLSA-N 1 2 301.350 2.369 20 5 DEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1C ZINC000289895775 221299362 /nfs/dbraw/zinc/29/93/62/221299362.db2.gz TZTDRYSNCLGZBV-UHFFFAOYSA-N 1 2 303.322 2.212 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000544404400 285347237 /nfs/dbraw/zinc/34/72/37/285347237.db2.gz NAGPYIBBDJWNOS-UHFFFAOYSA-N 1 2 320.374 2.023 20 5 DEBDLO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000069639741 184830880 /nfs/dbraw/zinc/83/08/80/184830880.db2.gz VRIWYBCEKFOLHP-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000121784437 195346764 /nfs/dbraw/zinc/34/67/64/195346764.db2.gz ARGKEAOVHJQAJV-UFBFGSQYSA-N 1 2 301.293 2.004 20 5 DEBDLO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000121784437 195346767 /nfs/dbraw/zinc/34/67/67/195346767.db2.gz ARGKEAOVHJQAJV-UFBFGSQYSA-N 1 2 301.293 2.004 20 5 DEBDLO CC(=O)N1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000353847839 133006816 /nfs/dbraw/zinc/00/68/16/133006816.db2.gz ULWLPAQDCXGMOF-VGVVRCBHSA-N 1 2 303.362 2.161 20 5 DEBDLO CC(=O)N1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000353847839 133006817 /nfs/dbraw/zinc/00/68/17/133006817.db2.gz ULWLPAQDCXGMOF-VGVVRCBHSA-N 1 2 303.362 2.161 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000355802401 133049396 /nfs/dbraw/zinc/04/93/96/133049396.db2.gz ORYWLGYEWXHCAV-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000355802401 133049397 /nfs/dbraw/zinc/04/93/97/133049397.db2.gz ORYWLGYEWXHCAV-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO Cc1nn(CCC(=O)Nc2c(C)cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000362399296 133227989 /nfs/dbraw/zinc/22/79/89/133227989.db2.gz ZTMZCZACCGCCAU-UHFFFAOYSA-N 1 2 317.349 2.449 20 5 DEBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000376655188 133303723 /nfs/dbraw/zinc/30/37/23/133303723.db2.gz FLUJWKGJMSFCBW-OQJQWRGRSA-N 1 2 308.403 2.451 20 5 DEBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000376655188 133303724 /nfs/dbraw/zinc/30/37/24/133303724.db2.gz FLUJWKGJMSFCBW-OQJQWRGRSA-N 1 2 308.403 2.451 20 5 DEBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377640221 133338502 /nfs/dbraw/zinc/33/85/02/133338502.db2.gz MOGGZCGSPCASEU-NSHDSACASA-N 1 2 300.318 2.054 20 5 DEBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCc2[nH]c[nH+]c21 ZINC000377640221 133338503 /nfs/dbraw/zinc/33/85/03/133338503.db2.gz MOGGZCGSPCASEU-NSHDSACASA-N 1 2 300.318 2.054 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000355204818 296514127 /nfs/dbraw/zinc/51/41/27/296514127.db2.gz SBGKZYSYTYGJSV-UHFFFAOYSA-N 1 2 309.329 2.465 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000246234739 145095972 /nfs/dbraw/zinc/09/59/72/145095972.db2.gz GUYDVYDIUMPLCE-CJNGLKHVSA-N 1 2 316.361 2.231 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000246234739 145095973 /nfs/dbraw/zinc/09/59/73/145095973.db2.gz GUYDVYDIUMPLCE-CJNGLKHVSA-N 1 2 316.361 2.231 20 5 DEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000357175706 147057000 /nfs/dbraw/zinc/05/70/00/147057000.db2.gz PYNBLLNZCXBQCU-UHFFFAOYSA-N 1 2 323.418 2.485 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000374380815 148239328 /nfs/dbraw/zinc/23/93/28/148239328.db2.gz OMJQYPSOXVQYKQ-JTQLQIEISA-N 1 2 318.308 2.097 20 5 DEBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127947896 401756762 /nfs/dbraw/zinc/75/67/62/401756762.db2.gz BBHKTBXKDLQBLH-LLVKDONJSA-N 1 2 314.345 2.282 20 5 DEBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127947896 401756763 /nfs/dbraw/zinc/75/67/63/401756763.db2.gz BBHKTBXKDLQBLH-LLVKDONJSA-N 1 2 314.345 2.282 20 5 DEBDLO CCC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131240107 401846484 /nfs/dbraw/zinc/84/64/84/401846484.db2.gz ODZODTCDMARSQZ-CQSZACIVSA-N 1 2 324.377 2.483 20 5 DEBDLO CCC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131240107 401846487 /nfs/dbraw/zinc/84/64/87/401846487.db2.gz ODZODTCDMARSQZ-CQSZACIVSA-N 1 2 324.377 2.483 20 5 DEBDLO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)(C)C ZINC000116466902 401853034 /nfs/dbraw/zinc/85/30/34/401853034.db2.gz PCHIYMHROTZLOY-AWEZNQCLSA-N 1 2 323.393 2.397 20 5 DEBDLO O=C(NCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627644 401880397 /nfs/dbraw/zinc/88/03/97/401880397.db2.gz TYJWPCAXZMOPSR-UHFFFAOYSA-N 1 2 314.223 2.073 20 5 DEBDLO COCCCOCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000091102030 401994011 /nfs/dbraw/zinc/99/40/11/401994011.db2.gz AGNLMQJHMAERNL-UHFFFAOYSA-N 1 2 300.330 2.219 20 5 DEBDLO COCCCOCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000091102030 401994013 /nfs/dbraw/zinc/99/40/13/401994013.db2.gz AGNLMQJHMAERNL-UHFFFAOYSA-N 1 2 300.330 2.219 20 5 DEBDLO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000093138476 402011722 /nfs/dbraw/zinc/01/17/22/402011722.db2.gz UBWNALRKAIIYQK-LBPRGKRZSA-N 1 2 323.393 2.040 20 5 DEBDLO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000093138476 402011724 /nfs/dbraw/zinc/01/17/24/402011724.db2.gz UBWNALRKAIIYQK-LBPRGKRZSA-N 1 2 323.393 2.040 20 5 DEBDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000125466516 402234034 /nfs/dbraw/zinc/23/40/34/402234034.db2.gz UIIROPPYKOYFBQ-HNNXBMFYSA-N 1 2 322.361 2.390 20 5 DEBDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000125466516 402234036 /nfs/dbraw/zinc/23/40/36/402234036.db2.gz UIIROPPYKOYFBQ-HNNXBMFYSA-N 1 2 322.361 2.390 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154908284 402237527 /nfs/dbraw/zinc/23/75/27/402237527.db2.gz HVSZDKLWDWELDU-UHFFFAOYSA-N 1 2 302.334 2.262 20 5 DEBDLO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184687048 402292035 /nfs/dbraw/zinc/29/20/35/402292035.db2.gz WCYLPIAJRJRZJR-UHFFFAOYSA-N 1 2 321.377 2.247 20 5 DEBDLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000176382805 402304319 /nfs/dbraw/zinc/30/43/19/402304319.db2.gz XQLWWWCQNQFONP-LBPRGKRZSA-N 1 2 302.334 2.166 20 5 DEBDLO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+](C)C ZINC000186220946 402412164 /nfs/dbraw/zinc/41/21/64/402412164.db2.gz ATYWAVURWPSEKU-LBPRGKRZSA-N 1 2 309.366 2.007 20 5 DEBDLO COC(=O)[C@]1(C)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000186383483 402426818 /nfs/dbraw/zinc/42/68/18/402426818.db2.gz CKKQOGYBBHSIFD-HNNXBMFYSA-N 1 2 308.334 2.001 20 5 DEBDLO COC(=O)[C@]1(C)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000186383483 402426821 /nfs/dbraw/zinc/42/68/21/402426821.db2.gz CKKQOGYBBHSIFD-HNNXBMFYSA-N 1 2 308.334 2.001 20 5 DEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000178359199 402489199 /nfs/dbraw/zinc/48/91/99/402489199.db2.gz BTLDHAYFYGZGBF-UHFFFAOYSA-N 1 2 314.276 2.312 20 5 DEBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000189284254 402532999 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2.303 20 5 DEBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364296113 404335939 /nfs/dbraw/zinc/33/59/39/404335939.db2.gz TUWXEUMRQKJUPJ-UKRRQHHQSA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364296113 404335942 /nfs/dbraw/zinc/33/59/42/404335942.db2.gz TUWXEUMRQKJUPJ-UKRRQHHQSA-N 1 2 304.346 2.165 20 5 DEBDLO Cc1cc(N2C[C@H](O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000350671609 404439649 /nfs/dbraw/zinc/43/96/49/404439649.db2.gz YBCNKZNQRJMNOX-SMDDNHRTSA-N 1 2 314.345 2.320 20 5 DEBDLO Cc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000414366422 404597124 /nfs/dbraw/zinc/59/71/24/404597124.db2.gz BRJLETLCHNSESJ-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894493 404684420 /nfs/dbraw/zinc/68/44/20/404684420.db2.gz SWKSYAHWHKTCRV-QWHCGFSZSA-N 1 2 323.368 2.029 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000407993272 405084778 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C[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CO1 ZINC000570040311 406337751 /nfs/dbraw/zinc/33/77/51/406337751.db2.gz MUHYVFUSKTYITR-GXTWGEPZSA-N 1 2 321.377 2.016 20 5 DEBDLO CCOc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000570100963 406346789 /nfs/dbraw/zinc/34/67/89/406346789.db2.gz ZYGAEAWIBMGLDQ-UHFFFAOYSA-N 1 2 318.333 2.382 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnnn1CC1CC1 ZINC000545310803 406313653 /nfs/dbraw/zinc/31/36/53/406313653.db2.gz JIPFKVXTYHXWIP-LLVKDONJSA-N 1 2 316.365 2.151 20 5 DEBDLO CCO[C@@H]1C[C@@H]1[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552055259 406678012 /nfs/dbraw/zinc/67/80/12/406678012.db2.gz GDWBVFYBEOCHKI-ZNMIVQPWSA-N 1 2 316.361 2.185 20 5 DEBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000131024650 196134146 /nfs/dbraw/zinc/13/41/46/196134146.db2.gz GLQCIIQSAVIQKX-ZRNGKTOUSA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000131024650 196134148 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CC(=O)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000872798797 689095469 /nfs/dbraw/zinc/09/54/69/689095469.db2.gz RSLBLAFDCWZXTC-UHFFFAOYSA-N 1 2 302.334 2.203 20 5 DEBDLO CC[C@H](C)C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC ZINC000877603639 690164937 /nfs/dbraw/zinc/16/49/37/690164937.db2.gz RNAMJYOXDWIKRW-BBCYWQGDSA-N 1 2 324.381 2.062 20 5 DEBDLO C[C@H]1COCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878287153 690368262 /nfs/dbraw/zinc/36/82/62/690368262.db2.gz XRMGZAYXRLPRDY-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@H]1COCCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878287153 690368267 /nfs/dbraw/zinc/36/82/67/690368267.db2.gz XRMGZAYXRLPRDY-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000879333584 690621678 /nfs/dbraw/zinc/62/16/78/690621678.db2.gz BXYIIFOHDDUDEY-ZDUSSCGKSA-N 1 2 324.356 2.017 20 5 DEBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000879333584 690621680 /nfs/dbraw/zinc/62/16/80/690621680.db2.gz BXYIIFOHDDUDEY-ZDUSSCGKSA-N 1 2 324.356 2.017 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1F ZINC000879342200 690623777 /nfs/dbraw/zinc/62/37/77/690623777.db2.gz NPRNPMMVKBDNEY-VHSXEESVSA-N 1 2 322.258 2.337 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1F ZINC000879342200 690623780 /nfs/dbraw/zinc/62/37/80/690623780.db2.gz NPRNPMMVKBDNEY-VHSXEESVSA-N 1 2 322.258 2.337 20 5 DEBDLO Cn1ncc2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc21 ZINC001330616544 1149213951 /nfs/dbraw/zinc/21/39/51/1149213951.db2.gz WNRQXNVJAMITHB-UHFFFAOYSA-N 1 2 323.356 2.435 20 5 DEBDLO Cn1ncc2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc21 ZINC001330616544 1149213959 /nfs/dbraw/zinc/21/39/59/1149213959.db2.gz WNRQXNVJAMITHB-UHFFFAOYSA-N 1 2 323.356 2.435 20 5 DEBDLO COc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)cc1[N+](=O)[O-] ZINC001133453680 788436057 /nfs/dbraw/zinc/43/60/57/788436057.db2.gz WXGCUXXAPNQSAQ-UHFFFAOYSA-N 1 2 301.302 2.289 20 5 DEBDLO Cc1cc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc(C)[nH+]1 ZINC001186748123 796437674 /nfs/dbraw/zinc/43/76/74/796437674.db2.gz NYGZQPDPORSTEX-UHFFFAOYSA-N 1 2 300.318 2.318 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001527008504 1070388675 /nfs/dbraw/zinc/38/86/75/1070388675.db2.gz WZRDGHQEGPMIRU-UHFFFAOYSA-N 1 2 305.290 2.177 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c[nH+]1 ZINC001472227533 1060446565 /nfs/dbraw/zinc/44/65/65/1060446565.db2.gz PZYQQZNQGUACQG-UHFFFAOYSA-N 1 2 317.349 2.364 20 5 DEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001622821687 1078194543 /nfs/dbraw/zinc/19/45/43/1078194543.db2.gz NOQOJJFIPCZINF-VIFPVBQESA-N 1 2 321.724 2.191 20 5 DEBDLO Nc1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC001631471620 1078365429 /nfs/dbraw/zinc/36/54/29/1078365429.db2.gz QAGUBSCHCOIMJJ-UHFFFAOYSA-N 1 2 324.300 2.214 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)CC2)c(Br)c1 ZINC000050103601 1078460371 /nfs/dbraw/zinc/46/03/71/1078460371.db2.gz ZDJHOIBONTYBAV-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597747596 1077100764 /nfs/dbraw/zinc/10/07/64/1077100764.db2.gz RLOLUZNUHYBMMP-UHFFFAOYSA-N 1 2 322.752 2.181 20 5 DEBDLO CC(C)c1ccc(C[NH2+]Cc2nc(N(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC001651714366 1079829039 /nfs/dbraw/zinc/82/90/39/1079829039.db2.gz GFTFMOJSYNKSKA-UHFFFAOYSA-N 1 2 318.381 2.192 20 5 DEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C2CC2)CC1 ZINC001254563063 1143247924 /nfs/dbraw/zinc/24/79/24/1143247924.db2.gz SGBPKKVOXXSCNR-CYBMUJFWSA-N 1 2 317.389 2.080 20 5 DEBDLO CCN1C[C@@H](C)[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC001254568360 1143252209 /nfs/dbraw/zinc/25/22/09/1143252209.db2.gz ZKUTWZHMDTWGQV-CHWSQXEVSA-N 1 2 305.378 2.078 20 5 DEBDLO CCN1C[C@@H](C)[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC001254568360 1143252232 /nfs/dbraw/zinc/25/22/32/1143252232.db2.gz ZKUTWZHMDTWGQV-CHWSQXEVSA-N 1 2 305.378 2.078 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(N3CCC(F)CC3)C1)C2 ZINC001254602099 1143277511 /nfs/dbraw/zinc/27/75/11/1143277511.db2.gz BERHROUMEIIDMP-MRXNPFEDSA-N 1 2 319.380 2.180 20 5 DEBDLO CN(CCCn1cc[nH+]c1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278383930 214130662 /nfs/dbraw/zinc/13/06/62/214130662.db2.gz LSRCVBRDVKNPID-UHFFFAOYSA-N 1 2 301.350 2.286 20 5 DEBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000612346254 361799932 /nfs/dbraw/zinc/79/99/32/361799932.db2.gz PTVBOSWTAVZMLA-UHFFFAOYSA-N 1 2 304.281 2.447 20 5 DEBDLO CC[C@H]([NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000192851263 529598223 /nfs/dbraw/zinc/59/82/23/529598223.db2.gz UYWUMAQFKMPGCK-LBPRGKRZSA-N 1 2 309.366 2.246 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000092710815 185335713 /nfs/dbraw/zinc/33/57/13/185335713.db2.gz WNPXBALHLNZYJY-UHFFFAOYSA-N 1 2 303.322 2.301 20 5 DEBDLO C[C@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190311582 282317937 /nfs/dbraw/zinc/31/79/37/282317937.db2.gz ONUYXMBKILQWQK-UWVGGRQHSA-N 1 2 314.411 2.351 20 5 DEBDLO COC(=O)[C@H]1[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC001353580906 1151840338 /nfs/dbraw/zinc/84/03/38/1151840338.db2.gz DDAXRUMKEQMHNZ-CMPLNLGQSA-N 1 2 314.288 2.081 20 5 DEBDLO COC(=O)[C@H]1[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC001353580906 1151840339 /nfs/dbraw/zinc/84/03/39/1151840339.db2.gz DDAXRUMKEQMHNZ-CMPLNLGQSA-N 1 2 314.288 2.081 20 5 DEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272634121 210035894 /nfs/dbraw/zinc/03/58/94/210035894.db2.gz KSSOYMIUWQJRJQ-ZDUSSCGKSA-N 1 2 318.333 2.427 20 5 DEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272634121 210035898 /nfs/dbraw/zinc/03/58/98/210035898.db2.gz KSSOYMIUWQJRJQ-ZDUSSCGKSA-N 1 2 318.333 2.427 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149152061 186047601 /nfs/dbraw/zinc/04/76/01/186047601.db2.gz LANATCHYULFXAV-SECBINFHSA-N 1 2 308.725 2.263 20 5 DEBDLO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000188036633 186247583 /nfs/dbraw/zinc/24/75/83/186247583.db2.gz AGRGWARQHKQMMB-LBPRGKRZSA-N 1 2 321.377 2.008 20 5 DEBDLO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000188036633 186247585 /nfs/dbraw/zinc/24/75/85/186247585.db2.gz AGRGWARQHKQMMB-LBPRGKRZSA-N 1 2 321.377 2.008 20 5 DEBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595481345 358460255 /nfs/dbraw/zinc/46/02/55/358460255.db2.gz FZRTVDGCAUXPKA-RYUDHWBXSA-N 1 2 322.283 2.338 20 5 DEBDLO CN(CC[NH+]1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174858884 198394266 /nfs/dbraw/zinc/39/42/66/198394266.db2.gz KXHRGXWKMUQOJI-UHFFFAOYSA-N 1 2 313.785 2.012 20 5 DEBDLO Cc1ccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000046386560 354282100 /nfs/dbraw/zinc/28/21/00/354282100.db2.gz NMJDHTYZHHPKNH-UHFFFAOYSA-N 1 2 314.345 2.294 20 5 DEBDLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000057423284 354569878 /nfs/dbraw/zinc/56/98/78/354569878.db2.gz SGKDZGSZULJVNL-GFCCVEGCSA-N 1 2 317.349 2.242 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000058297137 354590120 /nfs/dbraw/zinc/59/01/20/354590120.db2.gz FTDPHPZWSGLINN-NSHDSACASA-N 1 2 320.374 2.088 20 5 DEBDLO O=C(N[C@@H]1CC[C@@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360360732 540104522 /nfs/dbraw/zinc/10/45/22/540104522.db2.gz KJRUIOFZEHZEPD-VXGBXAGGSA-N 1 2 318.308 2.401 20 5 DEBDLO CCOc1cc(C[N@H+]2C[C@H](COC)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276965672 213207945 /nfs/dbraw/zinc/20/79/45/213207945.db2.gz WBRGGXIOLMIDCP-GXTWGEPZSA-N 1 2 324.377 2.229 20 5 DEBDLO CCOc1cc(C[N@@H+]2C[C@H](COC)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276965672 213207948 /nfs/dbraw/zinc/20/79/48/213207948.db2.gz WBRGGXIOLMIDCP-GXTWGEPZSA-N 1 2 324.377 2.229 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000084137144 355473850 /nfs/dbraw/zinc/47/38/50/355473850.db2.gz JPNNUJNITUPYDZ-UHFFFAOYSA-N 1 2 308.288 2.128 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000084137144 355473852 /nfs/dbraw/zinc/47/38/52/355473852.db2.gz JPNNUJNITUPYDZ-UHFFFAOYSA-N 1 2 308.288 2.128 20 5 DEBDLO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091832160 355610101 /nfs/dbraw/zinc/61/01/01/355610101.db2.gz NRLQHIRECBWREA-LLVKDONJSA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091832160 355610107 /nfs/dbraw/zinc/61/01/07/355610107.db2.gz NRLQHIRECBWREA-LLVKDONJSA-N 1 2 318.333 2.371 20 5 DEBDLO CN(C)C(=O)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413513230 283175972 /nfs/dbraw/zinc/17/59/72/283175972.db2.gz KZSCELDIVLVSIP-LBPRGKRZSA-N 1 2 314.345 2.058 20 5 DEBDLO Cc1ccc[nH+]c1CCc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000351134178 356619970 /nfs/dbraw/zinc/61/99/70/356619970.db2.gz VTGLSEHEAICNGN-UHFFFAOYSA-N 1 2 313.317 2.472 20 5 DEBDLO Cc1c[nH+]ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430548630 283256647 /nfs/dbraw/zinc/25/66/47/283256647.db2.gz CMIAIFIPVGNVLZ-UHFFFAOYSA-N 1 2 301.302 2.046 20 5 DEBDLO CCn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000595066753 358385870 /nfs/dbraw/zinc/38/58/70/358385870.db2.gz BMPRCPCQPBXZQX-HNNXBMFYSA-N 1 2 301.350 2.373 20 5 DEBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000496188159 283376570 /nfs/dbraw/zinc/37/65/70/283376570.db2.gz IRXLCHPJANVIGN-LBPRGKRZSA-N 1 2 311.313 2.006 20 5 DEBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000496188159 283376573 /nfs/dbraw/zinc/37/65/73/283376573.db2.gz IRXLCHPJANVIGN-LBPRGKRZSA-N 1 2 311.313 2.006 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000595334772 358425216 /nfs/dbraw/zinc/42/52/16/358425216.db2.gz AAPLLPDSWPCPQU-QWHCGFSZSA-N 1 2 324.381 2.113 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000595334772 358425217 /nfs/dbraw/zinc/42/52/17/358425217.db2.gz AAPLLPDSWPCPQU-QWHCGFSZSA-N 1 2 324.381 2.113 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596258213 358653715 /nfs/dbraw/zinc/65/37/15/358653715.db2.gz XLLGHYGCDHFGLB-VIFPVBQESA-N 1 2 303.322 2.083 20 5 DEBDLO C[C@H]1C[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H](C)CO1 ZINC000596426463 358684071 /nfs/dbraw/zinc/68/40/71/358684071.db2.gz AFSGAGAWNVZHOP-RYUDHWBXSA-N 1 2 320.393 2.084 20 5 DEBDLO C[C@H]1C[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H](C)CO1 ZINC000596426463 358684072 /nfs/dbraw/zinc/68/40/72/358684072.db2.gz AFSGAGAWNVZHOP-RYUDHWBXSA-N 1 2 320.393 2.084 20 5 DEBDLO COC(=O)Cc1ccc(N[C@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000596542210 358709353 /nfs/dbraw/zinc/70/93/53/358709353.db2.gz KYRLNTFHXIFAJG-SNVBAGLBSA-N 1 2 318.333 2.217 20 5 DEBDLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000597858929 359024496 /nfs/dbraw/zinc/02/44/96/359024496.db2.gz WVLYAJZLSMXMSZ-VIFPVBQESA-N 1 2 306.297 2.219 20 5 DEBDLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000597858929 359024501 /nfs/dbraw/zinc/02/45/01/359024501.db2.gz WVLYAJZLSMXMSZ-VIFPVBQESA-N 1 2 306.297 2.219 20 5 DEBDLO CC(C)Oc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000597862373 359027059 /nfs/dbraw/zinc/02/70/59/359027059.db2.gz IHCNZXGGVFIAMK-UHFFFAOYSA-N 1 2 318.333 2.377 20 5 DEBDLO CC(C)Oc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000597862373 359027065 /nfs/dbraw/zinc/02/70/65/359027065.db2.gz IHCNZXGGVFIAMK-UHFFFAOYSA-N 1 2 318.333 2.377 20 5 DEBDLO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598464630 359208451 /nfs/dbraw/zinc/20/84/51/359208451.db2.gz KDSYUJMHESMEFN-NSHDSACASA-N 1 2 302.334 2.138 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598632984 359268103 /nfs/dbraw/zinc/26/81/03/359268103.db2.gz HQPXQHCHJMOUNI-SECBINFHSA-N 1 2 319.321 2.166 20 5 DEBDLO COC(=O)c1ccnc(NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000598638153 359270826 /nfs/dbraw/zinc/27/08/26/359270826.db2.gz AMVZRLOFQBYKRC-UHFFFAOYSA-N 1 2 316.317 2.400 20 5 DEBDLO CN1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1=O ZINC000599046754 359390563 /nfs/dbraw/zinc/39/05/63/359390563.db2.gz MQZKGPDQJSGEEN-LLVKDONJSA-N 1 2 300.318 2.176 20 5 DEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000428362236 237138094 /nfs/dbraw/zinc/13/80/94/237138094.db2.gz GLRKSWRFIPETMS-VIFPVBQESA-N 1 2 320.736 2.190 20 5 DEBDLO CCOC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000600201497 359686948 /nfs/dbraw/zinc/68/69/48/359686948.db2.gz OWLVTWTVOIVPFT-PKYBCLHXSA-N 1 2 306.362 2.345 20 5 DEBDLO CCOC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000600201497 359686955 /nfs/dbraw/zinc/68/69/55/359686955.db2.gz OWLVTWTVOIVPFT-PKYBCLHXSA-N 1 2 306.362 2.345 20 5 DEBDLO COc1ccc[nH+]c1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609288266 361297550 /nfs/dbraw/zinc/29/75/50/361297550.db2.gz JWSFNPDETKAZLS-UHFFFAOYSA-N 1 2 314.345 2.325 20 5 DEBDLO C[C@H]1COCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610991031 361505176 /nfs/dbraw/zinc/50/51/76/361505176.db2.gz YITRUSVKFBMVNC-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@H]1COCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610991031 361505184 /nfs/dbraw/zinc/50/51/84/361505184.db2.gz YITRUSVKFBMVNC-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO COC(=O)c1cnc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450835314 242283603 /nfs/dbraw/zinc/28/36/03/242283603.db2.gz WWJHETOHYGTMHK-SCZZXKLOSA-N 1 2 317.305 2.091 20 5 DEBDLO Nc1c(C(=O)Nc2c[nH+]c3n2CCCC3)cc(F)cc1[N+](=O)[O-] ZINC000452336880 244163551 /nfs/dbraw/zinc/16/35/51/244163551.db2.gz XIZUPDQDWKUENK-UHFFFAOYSA-N 1 2 319.296 2.101 20 5 DEBDLO CCC[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093771398 193302384 /nfs/dbraw/zinc/30/23/84/193302384.db2.gz VOTZDPLBQPLJMN-PXTSUWAFSA-N 1 2 303.362 2.209 20 5 DEBDLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093771398 193302387 /nfs/dbraw/zinc/30/23/87/193302387.db2.gz VOTZDPLBQPLJMN-PXTSUWAFSA-N 1 2 303.362 2.209 20 5 DEBDLO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456393827 247155829 /nfs/dbraw/zinc/15/58/29/247155829.db2.gz RQHBQKPXIKSRAE-PELKAZGASA-N 1 2 304.281 2.366 20 5 DEBDLO Cc1c(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000109765713 194282722 /nfs/dbraw/zinc/28/27/22/194282722.db2.gz LHKYQMXCWBICAJ-CQSZACIVSA-N 1 2 324.402 2.055 20 5 DEBDLO Cc1c(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000109765713 194282724 /nfs/dbraw/zinc/28/27/24/194282724.db2.gz LHKYQMXCWBICAJ-CQSZACIVSA-N 1 2 324.402 2.055 20 5 DEBDLO CNC(=O)c1ccc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000285668032 218572653 /nfs/dbraw/zinc/57/26/53/218572653.db2.gz PHNNFMXVTWFQIB-ZDUSSCGKSA-N 1 2 317.349 2.487 20 5 DEBDLO C[NH+](C)Cc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000352189459 207388796 /nfs/dbraw/zinc/38/87/96/207388796.db2.gz GDCDUVIDCJMNFN-UHFFFAOYSA-N 1 2 308.269 2.036 20 5 DEBDLO O=[N+]([O-])c1ccccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302744154 285162515 /nfs/dbraw/zinc/16/25/15/285162515.db2.gz DQRQUHMWLLRCGE-AWEZNQCLSA-N 1 2 302.334 2.268 20 5 DEBDLO COc1cc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000271565459 209017286 /nfs/dbraw/zinc/01/72/86/209017286.db2.gz AUNXOSRYHIFTOR-JTQLQIEISA-N 1 2 306.322 2.309 20 5 DEBDLO COc1cc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000271565462 209018250 /nfs/dbraw/zinc/01/82/50/209018250.db2.gz AUNXOSRYHIFTOR-SNVBAGLBSA-N 1 2 306.322 2.309 20 5 DEBDLO Cc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000289756201 221204259 /nfs/dbraw/zinc/20/42/59/221204259.db2.gz FPLGOVPKJJRVIM-UHFFFAOYSA-N 1 2 301.306 2.147 20 5 DEBDLO CCc1c[nH+]ccc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356143655 133068599 /nfs/dbraw/zinc/06/85/99/133068599.db2.gz CCJPLJWQIYXJOJ-UHFFFAOYSA-N 1 2 301.302 2.235 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000357943082 133110932 /nfs/dbraw/zinc/11/09/32/133110932.db2.gz CLWBATAAAWNZSS-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000373063232 133376273 /nfs/dbraw/zinc/37/62/73/133376273.db2.gz KUAJQPADUYYLMF-JTQLQIEISA-N 1 2 320.374 2.410 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367768754 296510886 /nfs/dbraw/zinc/51/08/86/296510886.db2.gz BJIHUBAVYKCPGQ-NSHDSACASA-N 1 2 311.769 2.159 20 5 DEBDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000193839867 145091096 /nfs/dbraw/zinc/09/10/96/145091096.db2.gz QXVWLOOFJRRXNU-UHFFFAOYSA-N 1 2 308.725 2.220 20 5 DEBDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000193839867 145091097 /nfs/dbraw/zinc/09/10/97/145091097.db2.gz QXVWLOOFJRRXNU-UHFFFAOYSA-N 1 2 308.725 2.220 20 5 DEBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)CO1 ZINC000246273662 145096478 /nfs/dbraw/zinc/09/64/78/145096478.db2.gz WCXZFQHXFFPMNE-DZGCQCFKSA-N 1 2 316.361 2.253 20 5 DEBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)CO1 ZINC000246273662 145096480 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Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000071962657 401699998 /nfs/dbraw/zinc/69/99/98/401699998.db2.gz DCHCOKVEVLJWAK-UHFFFAOYSA-N 1 2 312.289 2.064 20 5 DEBDLO C[C@H]1SCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118418972 401898167 /nfs/dbraw/zinc/89/81/67/401898167.db2.gz NPVJTWUBMURWBU-NWDGAFQWSA-N 1 2 323.418 2.383 20 5 DEBDLO C[C@H]1SCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118418972 401898168 /nfs/dbraw/zinc/89/81/68/401898168.db2.gz NPVJTWUBMURWBU-NWDGAFQWSA-N 1 2 323.418 2.383 20 5 DEBDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862930 401974239 /nfs/dbraw/zinc/97/42/39/401974239.db2.gz JZSHPDZPYJMBBN-CYBMUJFWSA-N 1 2 305.378 2.428 20 5 DEBDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862930 401974241 /nfs/dbraw/zinc/97/42/41/401974241.db2.gz JZSHPDZPYJMBBN-CYBMUJFWSA-N 1 2 305.378 2.428 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(F)c1 ZINC000135633770 401948910 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DEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000068084552 402184150 /nfs/dbraw/zinc/18/41/50/402184150.db2.gz QEAGVHLSYHFSSY-NEPJUHHUSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000068084552 402184152 /nfs/dbraw/zinc/18/41/52/402184152.db2.gz QEAGVHLSYHFSSY-NEPJUHHUSA-N 1 2 321.377 2.151 20 5 DEBDLO Cc1c(NC(=O)CC[N@@H+](C)CC(F)F)cccc1[N+](=O)[O-] ZINC000103488386 402191170 /nfs/dbraw/zinc/19/11/70/402191170.db2.gz NHBHMDHRHSEFIP-UHFFFAOYSA-N 1 2 301.293 2.429 20 5 DEBDLO Cc1c(NC(=O)CC[N@H+](C)CC(F)F)cccc1[N+](=O)[O-] ZINC000103488386 402191174 /nfs/dbraw/zinc/19/11/74/402191174.db2.gz NHBHMDHRHSEFIP-UHFFFAOYSA-N 1 2 301.293 2.429 20 5 DEBDLO Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000126101292 402264523 /nfs/dbraw/zinc/26/45/23/402264523.db2.gz VPWWOKWFJZJBCH-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000176203658 402290125 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CC(C)(CCC(=O)NC1CCN(c2cccc[nH+]2)CC1)[N+](=O)[O-] ZINC000822518367 648223435 /nfs/dbraw/zinc/22/34/35/648223435.db2.gz KZXWJKAJDRPUPI-UHFFFAOYSA-N 1 2 320.393 2.002 20 5 DEBDLO CC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000846947887 651363937 /nfs/dbraw/zinc/36/39/37/651363937.db2.gz ISYZPVVTJRNWKO-LLVKDONJSA-N 1 2 319.361 2.223 20 5 DEBDLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000854821038 651569029 /nfs/dbraw/zinc/56/90/29/651569029.db2.gz DQHBYURRQPDQJM-ZDUSSCGKSA-N 1 2 314.345 2.267 20 5 DEBDLO O=[N+]([O-])c1cc(CO)c(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000865507089 687238183 /nfs/dbraw/zinc/23/81/83/687238183.db2.gz YZVDOEGMRAXBLM-GFCCVEGCSA-N 1 2 320.324 2.264 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](CCF)C1 ZINC000866119209 687453871 /nfs/dbraw/zinc/45/38/71/687453871.db2.gz BZYXAEDPPVIOIV-LBPRGKRZSA-N 1 2 310.329 2.150 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000866119209 687453872 /nfs/dbraw/zinc/45/38/72/687453872.db2.gz BZYXAEDPPVIOIV-LBPRGKRZSA-N 1 2 310.329 2.150 20 5 DEBDLO Cc1nn(C)c(NC[C@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866195278 687487446 /nfs/dbraw/zinc/48/74/46/687487446.db2.gz QSFNOQVBKBGUGH-ZDUSSCGKSA-N 1 2 301.350 2.235 20 5 DEBDLO Cc1nn(C)c(NC[C@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866195278 687487448 /nfs/dbraw/zinc/48/74/48/687487448.db2.gz QSFNOQVBKBGUGH-ZDUSSCGKSA-N 1 2 301.350 2.235 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000873129804 689164992 /nfs/dbraw/zinc/16/49/92/689164992.db2.gz UKODNTSZDLHYKU-UHFFFAOYSA-N 1 2 301.350 2.497 20 5 DEBDLO Cn1ncc2cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cnc21 ZINC000876741321 689923679 /nfs/dbraw/zinc/92/36/79/689923679.db2.gz SLGDKANIASFCDZ-UHFFFAOYSA-N 1 2 323.356 2.435 20 5 DEBDLO Cn1ncc2cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cnc21 ZINC000876741321 689923680 /nfs/dbraw/zinc/92/36/80/689923680.db2.gz SLGDKANIASFCDZ-UHFFFAOYSA-N 1 2 323.356 2.435 20 5 DEBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccnn1C ZINC000877762026 690218119 /nfs/dbraw/zinc/21/81/19/690218119.db2.gz XZPDUISHGHWQCR-VIFPVBQESA-N 1 2 301.306 2.320 20 5 DEBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000878705637 690480747 /nfs/dbraw/zinc/48/07/47/690480747.db2.gz CWQJLLRGLLRBHF-UWVGGRQHSA-N 1 2 318.358 2.335 20 5 DEBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000878705637 690480749 /nfs/dbraw/zinc/48/07/49/690480749.db2.gz CWQJLLRGLLRBHF-UWVGGRQHSA-N 1 2 318.358 2.335 20 5 DEBDLO O=[N+]([O-])c1ncccc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000886076222 691998214 /nfs/dbraw/zinc/99/82/14/691998214.db2.gz LUZPXMLFVVWXAH-UHFFFAOYSA-N 1 2 309.329 2.466 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)OCCCc1c[nH+]cn1C ZINC001346225721 1150953953 /nfs/dbraw/zinc/95/39/53/1150953953.db2.gz CHLOYLAGZPJFBI-UHFFFAOYSA-N 1 2 318.333 2.160 20 5 DEBDLO Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC001353486166 1151833374 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DEBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC001150511628 796948996 /nfs/dbraw/zinc/94/89/96/796948996.db2.gz ZBNWPYSENJAQAA-UHFFFAOYSA-N 1 2 320.324 2.401 20 5 DEBDLO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001155194148 797705875 /nfs/dbraw/zinc/70/58/75/797705875.db2.gz PCWYWHWWTVOXEU-ZDUSSCGKSA-N 1 2 316.361 2.194 20 5 DEBDLO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001155194148 797705877 /nfs/dbraw/zinc/70/58/77/797705877.db2.gz PCWYWHWWTVOXEU-ZDUSSCGKSA-N 1 2 316.361 2.194 20 5 DEBDLO CCN(CCn1cc[nH+]c1)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157462732 798210686 /nfs/dbraw/zinc/21/06/86/798210686.db2.gz XKQLBRUOUAQUAG-UHFFFAOYSA-N 1 2 300.322 2.194 20 5 DEBDLO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1 ZINC001161689346 798912723 /nfs/dbraw/zinc/91/27/23/798912723.db2.gz OEAUPBCEIYPXSZ-UHFFFAOYSA-N 1 2 318.333 2.389 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC[NH2+]CC(F)(F)C2)c2ccccc21 ZINC001164492820 799609292 /nfs/dbraw/zinc/60/92/92/799609292.db2.gz GOGANIDSMSJUJH-UHFFFAOYSA-N 1 2 308.288 2.188 20 5 DEBDLO O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@@H]1CCCC[NH2+]C1 ZINC001217970035 802125404 /nfs/dbraw/zinc/12/54/04/802125404.db2.gz HHBACFMOXSMEGA-SSDOTTSWSA-N 1 2 321.255 2.235 20 5 DEBDLO Cc1cc2[nH]c(O[C@H]3CC[NH2+]CC3(F)F)nc2cc1[N+](=O)[O-] ZINC001218006196 802130010 /nfs/dbraw/zinc/13/00/10/802130010.db2.gz JGQKKRCHWYLDAV-NSHDSACASA-N 1 2 312.276 2.156 20 5 DEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001331022265 1149361273 /nfs/dbraw/zinc/36/12/73/1149361273.db2.gz QTLXSMWPUFWUCG-JTQLQIEISA-N 1 2 309.297 2.142 20 5 DEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H](CF)C1 ZINC001331022265 1149361279 /nfs/dbraw/zinc/36/12/79/1149361279.db2.gz QTLXSMWPUFWUCG-JTQLQIEISA-N 1 2 309.297 2.142 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001524832426 1070035255 /nfs/dbraw/zinc/03/52/55/1070035255.db2.gz XGILSNXEDIYMSA-KGLIPLIRSA-N 1 2 301.302 2.175 20 5 DEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC001462392904 1058814101 /nfs/dbraw/zinc/81/41/01/1058814101.db2.gz HNBJQMWXAUQREH-PFEDMVJOSA-N 1 2 317.349 2.183 20 5 DEBDLO COc1c(O)ccc(C[NH2+][C@H](CCO)c2ccco2)c1[N+](=O)[O-] ZINC001474467417 1060875246 /nfs/dbraw/zinc/87/52/46/1060875246.db2.gz XUIUPRQYVWUHJL-LLVKDONJSA-N 1 2 322.317 2.115 20 5 DEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1[nH]c2c([nH+]1)CCCC2 ZINC001639296509 1078606481 /nfs/dbraw/zinc/60/64/81/1078606481.db2.gz YVCQJZZAFHLQCB-UHFFFAOYSA-N 1 2 314.345 2.056 20 5 DEBDLO NC(=O)c1cc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC001642085143 1078742258 /nfs/dbraw/zinc/74/22/58/1078742258.db2.gz NBERHGWMDKSOSJ-UHFFFAOYSA-N 1 2 315.333 2.003 20 5 DEBDLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001587810808 1076427592 /nfs/dbraw/zinc/42/75/92/1076427592.db2.gz GOWWWCVECPBQLR-ZIAGYGMSSA-N 1 2 314.345 2.355 20 5 DEBDLO CC[S@](C)(=O)=NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001598294452 1077109832 /nfs/dbraw/zinc/10/98/32/1077109832.db2.gz CZILTLYZIMDAIL-QFIPXVFZSA-N 1 2 322.346 2.038 20 5 DEBDLO CCOc1cccc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC001336726222 1142548518 /nfs/dbraw/zinc/54/85/18/1142548518.db2.gz NMNIUMVOZXSHME-GXTWGEPZSA-N 1 2 322.409 2.040 20 5 DEBDLO CCOc1cccc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC001336726222 1142548535 /nfs/dbraw/zinc/54/85/35/1142548535.db2.gz NMNIUMVOZXSHME-GXTWGEPZSA-N 1 2 322.409 2.040 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(N2CCc3cc[nH+]c(N(C)C)c3C2)n1 ZINC001337376157 1142738629 /nfs/dbraw/zinc/73/86/29/1142738629.db2.gz PRUSOBKJFSDUMH-UHFFFAOYSA-N 1 2 313.361 2.322 20 5 DEBDLO Cc1c[nH+]cc(C)c1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001339103327 1142928303 /nfs/dbraw/zinc/92/83/03/1142928303.db2.gz OAAQGEYTXWCYDQ-UHFFFAOYSA-N 1 2 315.329 2.436 20 5 DEBDLO CC(C)c1nc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254569479 1143255195 /nfs/dbraw/zinc/25/51/95/1143255195.db2.gz YLWFHFUSPSAHSG-LBPRGKRZSA-N 1 2 302.334 2.358 20 5 DEBDLO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])on1 ZINC001307803268 1147436389 /nfs/dbraw/zinc/43/63/89/1147436389.db2.gz WDDHHTIOIQFBPD-UHFFFAOYSA-N 1 2 319.317 2.394 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC001325384340 1147898179 /nfs/dbraw/zinc/89/81/79/1147898179.db2.gz DBMZNKTZAFWATH-ZDUSSCGKSA-N 1 2 318.333 2.265 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC001325384340 1147898182 /nfs/dbraw/zinc/89/81/82/1147898182.db2.gz DBMZNKTZAFWATH-ZDUSSCGKSA-N 1 2 318.333 2.265 20 5 DEBDLO C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000278314453 214083958 /nfs/dbraw/zinc/08/39/58/214083958.db2.gz HJMYUNRORBRMNF-VXGBXAGGSA-N 1 2 320.393 2.084 20 5 DEBDLO Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1Br ZINC000081941523 192344761 /nfs/dbraw/zinc/34/47/61/192344761.db2.gz DPVMUUPOTBRCFQ-UHFFFAOYSA-N 1 2 312.127 2.098 20 5 DEBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000153713986 282173487 /nfs/dbraw/zinc/17/34/87/282173487.db2.gz KYDZSDQKZMUGGX-NXEZZACHSA-N 1 2 314.773 2.164 20 5 DEBDLO CCN(CC)C(=O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132156 185213519 /nfs/dbraw/zinc/21/35/19/185213519.db2.gz HBDWIYSNRPDZHQ-UHFFFAOYSA-N 1 2 320.349 2.036 20 5 DEBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132156 185213520 /nfs/dbraw/zinc/21/35/20/185213520.db2.gz HBDWIYSNRPDZHQ-UHFFFAOYSA-N 1 2 320.349 2.036 20 5 DEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494745 358464804 /nfs/dbraw/zinc/46/48/04/358464804.db2.gz ZZGXJIVDWONQFT-SWLSCSKDSA-N 1 2 323.368 2.029 20 5 DEBDLO Cc1noc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595499046 358465022 /nfs/dbraw/zinc/46/50/22/358465022.db2.gz KIZXPTDCAKQOPP-CQSZACIVSA-N 1 2 320.349 2.136 20 5 DEBDLO CC[C@@H](C(=O)OC)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248853 198310224 /nfs/dbraw/zinc/31/02/24/198310224.db2.gz FQNHXYXIAWWULB-HNNXBMFYSA-N 1 2 322.361 2.390 20 5 DEBDLO O=C(NCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046407715 354282863 /nfs/dbraw/zinc/28/28/63/354282863.db2.gz BVSMAKNDLYOZRV-UHFFFAOYSA-N 1 2 301.306 2.223 20 5 DEBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000053286853 354428700 /nfs/dbraw/zinc/42/87/00/354428700.db2.gz XTKFFGCWHUQYLO-OAHLLOKOSA-N 1 2 314.345 2.052 20 5 DEBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000053286853 354428703 /nfs/dbraw/zinc/42/87/03/354428703.db2.gz XTKFFGCWHUQYLO-OAHLLOKOSA-N 1 2 314.345 2.052 20 5 DEBDLO O=C(N[C@@H]1CCC[C@@H]1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340796348 283036194 /nfs/dbraw/zinc/03/61/94/283036194.db2.gz LAMKBNIXQIFKSJ-NWDGAFQWSA-N 1 2 318.308 2.401 20 5 DEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000111291495 355746782 /nfs/dbraw/zinc/74/67/82/355746782.db2.gz OEEQHJNDSICQDB-GFCCVEGCSA-N 1 2 309.391 2.243 20 5 DEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000111291495 355746787 /nfs/dbraw/zinc/74/67/87/355746787.db2.gz OEEQHJNDSICQDB-GFCCVEGCSA-N 1 2 309.391 2.243 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000382622108 356676879 /nfs/dbraw/zinc/67/68/79/356676879.db2.gz ZTDSXTDUHLJQTM-OAHLLOKOSA-N 1 2 323.368 2.031 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000382622108 356676885 /nfs/dbraw/zinc/67/68/85/356676885.db2.gz ZTDSXTDUHLJQTM-OAHLLOKOSA-N 1 2 323.368 2.031 20 5 DEBDLO COCc1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000180267032 199138539 /nfs/dbraw/zinc/13/85/39/199138539.db2.gz ORIDWZOKJWLXAM-JTQLQIEISA-N 1 2 306.322 2.283 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000593996819 358187222 /nfs/dbraw/zinc/18/72/22/358187222.db2.gz VXMFYCLMTWEOJJ-ZDUSSCGKSA-N 1 2 323.368 2.031 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000593996819 358187225 /nfs/dbraw/zinc/18/72/25/358187225.db2.gz VXMFYCLMTWEOJJ-ZDUSSCGKSA-N 1 2 323.368 2.031 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000593996819 358187227 /nfs/dbraw/zinc/18/72/27/358187227.db2.gz VXMFYCLMTWEOJJ-ZDUSSCGKSA-N 1 2 323.368 2.031 20 5 DEBDLO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594419240 358263992 /nfs/dbraw/zinc/26/39/92/358263992.db2.gz PWVWHLHVPXXQHQ-OLZOCXBDSA-N 1 2 319.361 2.047 20 5 DEBDLO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594419240 358263997 /nfs/dbraw/zinc/26/39/97/358263997.db2.gz PWVWHLHVPXXQHQ-OLZOCXBDSA-N 1 2 319.361 2.047 20 5 DEBDLO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000595105986 358390732 /nfs/dbraw/zinc/39/07/32/358390732.db2.gz GHCRUBXBGKJASX-FMKPAKJESA-N 1 2 316.361 2.185 20 5 DEBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595446839 358451081 /nfs/dbraw/zinc/45/10/81/358451081.db2.gz DTYYBLQSTDWJSS-LLVKDONJSA-N 1 2 323.271 2.435 20 5 DEBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595446839 358451084 /nfs/dbraw/zinc/45/10/84/358451084.db2.gz DTYYBLQSTDWJSS-LLVKDONJSA-N 1 2 323.271 2.435 20 5 DEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595287474 358412367 /nfs/dbraw/zinc/41/23/67/358412367.db2.gz IVOUVMXDUSONNR-XNRPHZJLSA-N 1 2 317.389 2.474 20 5 DEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595287474 358412371 /nfs/dbraw/zinc/41/23/71/358412371.db2.gz IVOUVMXDUSONNR-XNRPHZJLSA-N 1 2 317.389 2.474 20 5 DEBDLO Cc1noc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595320612 358421894 /nfs/dbraw/zinc/42/18/94/358421894.db2.gz HVMOIKUQRHTMAE-SECBINFHSA-N 1 2 323.271 2.435 20 5 DEBDLO Cc1noc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595320612 358421897 /nfs/dbraw/zinc/42/18/97/358421897.db2.gz HVMOIKUQRHTMAE-SECBINFHSA-N 1 2 323.271 2.435 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000595753668 358541611 /nfs/dbraw/zinc/54/16/11/358541611.db2.gz QWCRKPMHEXIGDV-UHFFFAOYSA-N 1 2 319.361 2.120 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000595753668 358541613 /nfs/dbraw/zinc/54/16/13/358541613.db2.gz QWCRKPMHEXIGDV-UHFFFAOYSA-N 1 2 319.361 2.120 20 5 DEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COCCO1 ZINC000595736012 358537075 /nfs/dbraw/zinc/53/70/75/358537075.db2.gz LDPYUECANHEZNP-GFCCVEGCSA-N 1 2 300.742 2.095 20 5 DEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COCCO1 ZINC000595736012 358537078 /nfs/dbraw/zinc/53/70/78/358537078.db2.gz LDPYUECANHEZNP-GFCCVEGCSA-N 1 2 300.742 2.095 20 5 DEBDLO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000596247208 358650825 /nfs/dbraw/zinc/65/08/25/358650825.db2.gz NAKCABDPAKQWET-ZDUSSCGKSA-N 1 2 323.368 2.343 20 5 DEBDLO COc1cccc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596432760 358685593 /nfs/dbraw/zinc/68/55/93/358685593.db2.gz SLCWJCCCCSBRFQ-VXGBXAGGSA-N 1 2 309.366 2.125 20 5 DEBDLO COc1cccc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596432760 358685598 /nfs/dbraw/zinc/68/55/98/358685598.db2.gz SLCWJCCCCSBRFQ-VXGBXAGGSA-N 1 2 309.366 2.125 20 5 DEBDLO CNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000597250041 358869085 /nfs/dbraw/zinc/86/90/85/358869085.db2.gz QZAFUUVHJRKAPP-UHFFFAOYSA-N 1 2 303.318 2.033 20 5 DEBDLO CNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000597250041 358869089 /nfs/dbraw/zinc/86/90/89/358869089.db2.gz QZAFUUVHJRKAPP-UHFFFAOYSA-N 1 2 303.318 2.033 20 5 DEBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1[nH+]ccn1C ZINC000598459000 359207272 /nfs/dbraw/zinc/20/72/72/359207272.db2.gz BRINIUQDWLPXFQ-SECBINFHSA-N 1 2 322.752 2.402 20 5 DEBDLO CCn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000602555237 360430814 /nfs/dbraw/zinc/43/08/14/360430814.db2.gz DUCVHWIWPAPFPU-UHFFFAOYSA-N 1 2 301.306 2.242 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603252628 360766703 /nfs/dbraw/zinc/76/67/03/360766703.db2.gz WRDJYMQQSIGKQH-GFCCVEGCSA-N 1 2 312.333 2.349 20 5 DEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281389319 216266190 /nfs/dbraw/zinc/26/61/90/216266190.db2.gz MUSAOLHGJVXSSV-CQSZACIVSA-N 1 2 321.377 2.343 20 5 DEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281389319 216266193 /nfs/dbraw/zinc/26/61/93/216266193.db2.gz MUSAOLHGJVXSSV-CQSZACIVSA-N 1 2 321.377 2.343 20 5 DEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131482 361281063 /nfs/dbraw/zinc/28/10/63/361281063.db2.gz QRGVMGRINZBMTF-AWEZNQCLSA-N 1 2 314.345 2.198 20 5 DEBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000610712633 361450748 /nfs/dbraw/zinc/45/07/48/361450748.db2.gz JDTOLRXFKHTSLF-UHFFFAOYSA-N 1 2 317.276 2.032 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)O1 ZINC000611264996 361564925 /nfs/dbraw/zinc/56/49/25/361564925.db2.gz HDASURNYTHODJC-WCQYABFASA-N 1 2 322.361 2.365 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)O1 ZINC000611264996 361564928 /nfs/dbraw/zinc/56/49/28/361564928.db2.gz HDASURNYTHODJC-WCQYABFASA-N 1 2 322.361 2.365 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000611574811 361636458 /nfs/dbraw/zinc/63/64/58/361636458.db2.gz JDZFZKXTGXJKNO-AWEZNQCLSA-N 1 2 322.361 2.391 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000611574811 361636461 /nfs/dbraw/zinc/63/64/61/361636461.db2.gz JDZFZKXTGXJKNO-AWEZNQCLSA-N 1 2 322.361 2.391 20 5 DEBDLO COc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000611774202 361678357 /nfs/dbraw/zinc/67/83/57/361678357.db2.gz WUYFJIDOUAJLBC-UHFFFAOYSA-N 1 2 304.306 2.219 20 5 DEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619479748 363808371 /nfs/dbraw/zinc/80/83/71/363808371.db2.gz BKELDLBGGRBBPH-GFCCVEGCSA-N 1 2 304.354 2.158 20 5 DEBDLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271781310 209210517 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COc1cc[nH+]cc1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492944826 249178326 /nfs/dbraw/zinc/17/83/26/249178326.db2.gz ZDSMMUWEVUXNNG-VOTSOKGWSA-N 1 2 313.313 2.328 20 5 DEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448592872 533292395 /nfs/dbraw/zinc/29/23/95/533292395.db2.gz TYQRRLWYXCOKFT-SNVBAGLBSA-N 1 2 300.318 2.309 20 5 DEBDLO COC(=O)CSCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413122769 533582175 /nfs/dbraw/zinc/58/21/75/533582175.db2.gz LFTQHMQHDLNGJF-UHFFFAOYSA-N 1 2 321.358 2.461 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000351617846 291991501 /nfs/dbraw/zinc/99/15/01/291991501.db2.gz CXJLQRNDJFITHE-UHFFFAOYSA-N 1 2 321.358 2.138 20 5 DEBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000340313563 131379764 /nfs/dbraw/zinc/37/97/64/131379764.db2.gz QRZFDMDTPUFYNJ-HNNXBMFYSA-N 1 2 324.344 2.030 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362523285 133235489 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CC(C)=CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191816722 145065348 /nfs/dbraw/zinc/06/53/48/145065348.db2.gz PKRVDTBPHQGMDG-UHFFFAOYSA-N 1 2 300.318 2.477 20 5 DEBDLO Cc1[nH]nc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000346117872 146018771 /nfs/dbraw/zinc/01/87/71/146018771.db2.gz XZWRQHNQIVVEST-UHFFFAOYSA-N 1 2 312.289 2.269 20 5 DEBDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000349241417 146361517 /nfs/dbraw/zinc/36/15/17/146361517.db2.gz KYNFADJIJMCUIF-UWVGGRQHSA-N 1 2 304.306 2.261 20 5 DEBDLO Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000111546729 401717971 /nfs/dbraw/zinc/71/79/71/401717971.db2.gz JRZFCPDPEZQPCA-UHFFFAOYSA-N 1 2 324.296 2.392 20 5 DEBDLO Cc1c[nH+]ccc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111616509 401718411 /nfs/dbraw/zinc/71/84/11/401718411.db2.gz KEFXBUKUKCXHQZ-UHFFFAOYSA-N 1 2 324.296 2.392 20 5 DEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCC1 ZINC000130146444 401820026 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C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120879910 402005281 /nfs/dbraw/zinc/00/52/81/402005281.db2.gz IDWSQMYOPKAGRT-CQSZACIVSA-N 1 2 311.769 2.478 20 5 DEBDLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120879910 402005283 /nfs/dbraw/zinc/00/52/83/402005283.db2.gz IDWSQMYOPKAGRT-CQSZACIVSA-N 1 2 311.769 2.478 20 5 DEBDLO CC(C)(CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000153517456 402150758 /nfs/dbraw/zinc/15/07/58/402150758.db2.gz WAEPIZNMFWXNMW-UHFFFAOYSA-N 1 2 314.773 2.166 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(F)F ZINC000103488372 402191385 /nfs/dbraw/zinc/19/13/85/402191385.db2.gz STRNKFOIUJIHLG-UHFFFAOYSA-N 1 2 317.292 2.129 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(F)F ZINC000103488372 402191389 /nfs/dbraw/zinc/19/13/89/402191389.db2.gz STRNKFOIUJIHLG-UHFFFAOYSA-N 1 2 317.292 2.129 20 5 DEBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCO1 ZINC000170766094 402522208 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/nfs/dbraw/zinc/32/59/24/403325924.db2.gz GZRSCKWUAFPYNF-ZIAGYGMSSA-N 1 2 318.333 2.157 20 5 DEBDLO Cc1noc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285557253 403325927 /nfs/dbraw/zinc/32/59/27/403325927.db2.gz GZRSCKWUAFPYNF-ZIAGYGMSSA-N 1 2 318.333 2.157 20 5 DEBDLO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000286210830 403472993 /nfs/dbraw/zinc/47/29/93/403472993.db2.gz YHYBKKDUTUGULW-MEELVIRWSA-N 1 2 310.419 2.369 20 5 DEBDLO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000286210830 403472995 /nfs/dbraw/zinc/47/29/95/403472995.db2.gz YHYBKKDUTUGULW-MEELVIRWSA-N 1 2 310.419 2.369 20 5 DEBDLO Cc1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000343217977 403499266 /nfs/dbraw/zinc/49/92/66/403499266.db2.gz QAQVTRDCWVKZHY-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO CC[C@@H](C)CONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000293616979 403520723 /nfs/dbraw/zinc/52/07/23/403520723.db2.gz DLYJSPKEOAIXKA-LLVKDONJSA-N 1 2 318.333 2.488 20 5 DEBDLO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000287518024 403615371 /nfs/dbraw/zinc/61/53/71/403615371.db2.gz VEFBLVXLAFCCPC-UHFFFAOYSA-N 1 2 321.377 2.248 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)on1 ZINC000301924097 403701720 /nfs/dbraw/zinc/70/17/20/403701720.db2.gz GAJPHEAZBCNPEM-UHFFFAOYSA-N 1 2 308.363 2.275 20 5 DEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000288149479 403734608 /nfs/dbraw/zinc/73/46/08/403734608.db2.gz ZELYCHUSGSMIKI-VXGBXAGGSA-N 1 2 321.377 2.319 20 5 DEBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000361744424 403836697 /nfs/dbraw/zinc/83/66/97/403836697.db2.gz LXBFWXQYNAOWNU-NSHDSACASA-N 1 2 319.390 2.330 20 5 DEBDLO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000289509947 403981720 /nfs/dbraw/zinc/98/17/20/403981720.db2.gz IBMWMGJTPNBNIC-UHFFFAOYSA-N 1 2 303.318 2.297 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCO[C@H](CF)C3)nc2c1 ZINC000411868268 403998954 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/nfs/dbraw/zinc/51/71/50/404517150.db2.gz YDUALXCYYMNRKU-QMTHXVAHSA-N 1 2 323.780 2.301 20 5 DEBDLO CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000345047542 404517157 /nfs/dbraw/zinc/51/71/57/404517157.db2.gz YDUALXCYYMNRKU-QMTHXVAHSA-N 1 2 323.780 2.301 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352991169 404713084 /nfs/dbraw/zinc/71/30/84/404713084.db2.gz SHKDNFPZSKSDHK-YWPYICTPSA-N 1 2 324.402 2.083 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352991169 404713089 /nfs/dbraw/zinc/71/30/89/404713089.db2.gz SHKDNFPZSKSDHK-YWPYICTPSA-N 1 2 324.402 2.083 20 5 DEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000361199513 404969488 /nfs/dbraw/zinc/96/94/88/404969488.db2.gz IJGWHEKPRSURRY-GFCCVEGCSA-N 1 2 302.334 2.203 20 5 DEBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361511315 405107898 /nfs/dbraw/zinc/10/78/98/405107898.db2.gz QRVNRPKYTIAPNA-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361511315 405107903 /nfs/dbraw/zinc/10/79/03/405107903.db2.gz QRVNRPKYTIAPNA-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCCC[C@H]1C ZINC000436981330 405173727 /nfs/dbraw/zinc/17/37/27/405173727.db2.gz BUVBGXBLYDBKKQ-VXGBXAGGSA-N 1 2 321.377 2.293 20 5 DEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCCC[C@H]1C ZINC000436981330 405173734 /nfs/dbraw/zinc/17/37/34/405173734.db2.gz BUVBGXBLYDBKKQ-VXGBXAGGSA-N 1 2 321.377 2.293 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000454294546 405323849 /nfs/dbraw/zinc/32/38/49/405323849.db2.gz XWDKWYGWKOVKIF-LLVKDONJSA-N 1 2 317.349 2.372 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)[nH+]c(C)c2)n1 ZINC000420649549 405367851 /nfs/dbraw/zinc/36/78/51/405367851.db2.gz GJEIGGZZFZYLMM-UHFFFAOYSA-N 1 2 316.317 2.400 20 5 DEBDLO 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CSc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000135481029 196478565 /nfs/dbraw/zinc/47/85/65/196478565.db2.gz CHRGOPVBWCXBKP-UHFFFAOYSA-N 1 2 306.347 2.012 20 5 DEBDLO COCC[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413147711 228283435 /nfs/dbraw/zinc/28/34/35/228283435.db2.gz RGEQJZVBRLVMQK-HNNXBMFYSA-N 1 2 305.334 2.342 20 5 DEBDLO Cc1cc(NC[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299397437 229096651 /nfs/dbraw/zinc/09/66/51/229096651.db2.gz VYGGNNVOKWSSRX-SNVBAGLBSA-N 1 2 302.334 2.401 20 5 DEBDLO Cc1cc(NCC[NH+]2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302045750 230059989 /nfs/dbraw/zinc/05/99/89/230059989.db2.gz XZWYJRJIZMQETQ-UHFFFAOYSA-N 1 2 316.361 2.196 20 5 DEBDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000370879368 269088076 /nfs/dbraw/zinc/08/80/76/269088076.db2.gz QYWWYLZVVRSDLI-ABAIWWIYSA-N 1 2 316.361 2.152 20 5 DEBDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000370879368 269088077 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COc1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456394712 536510908 /nfs/dbraw/zinc/51/09/08/536510908.db2.gz SBLWJRFZOVINOQ-GXSJLCMTSA-N 1 2 316.317 2.236 20 5 DEBDLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820432171 599408869 /nfs/dbraw/zinc/40/88/69/599408869.db2.gz MUTHZDWBIIKXGD-SECBINFHSA-N 1 2 314.305 2.219 20 5 DEBDLO COc1cc(C[NH2+]Cc2cccc(F)n2)c([N+](=O)[O-])cc1OC ZINC000747934515 638492367 /nfs/dbraw/zinc/49/23/67/638492367.db2.gz FYSRWOJKNASPOG-UHFFFAOYSA-N 1 2 321.308 2.436 20 5 DEBDLO COc1cc(C[N@@H+]2CCO[C@@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000896586202 638596088 /nfs/dbraw/zinc/59/60/88/638596088.db2.gz XHBIBFFEIQYLAX-NSHDSACASA-N 1 2 310.350 2.223 20 5 DEBDLO COc1cc(C[N@H+]2CCO[C@@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000896586202 638596095 /nfs/dbraw/zinc/59/60/95/638596095.db2.gz XHBIBFFEIQYLAX-NSHDSACASA-N 1 2 310.350 2.223 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1c(Cl)cncc1[N+](=O)[O-])C2 ZINC000896654941 638626572 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COC(=O)c1ccc([N+](=O)[O-])c(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC001559284602 1075118398 /nfs/dbraw/zinc/11/83/98/1075118398.db2.gz KFBXRDDFTYFCBS-UHFFFAOYSA-N 1 2 304.306 2.333 20 5 DEBDLO Cc1conc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586977457 1076409728 /nfs/dbraw/zinc/40/97/28/1076409728.db2.gz TXPYMBNIJOAHKL-UHFFFAOYSA-N 1 2 313.273 2.329 20 5 DEBDLO CCc1[nH]c(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c[nH+]1 ZINC001597257544 1077091682 /nfs/dbraw/zinc/09/16/82/1077091682.db2.gz KKWICPNSJFGXAX-UHFFFAOYSA-N 1 2 320.324 2.268 20 5 DEBDLO CCc1[nH]cc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])[nH+]1 ZINC001597257544 1077091689 /nfs/dbraw/zinc/09/16/89/1077091689.db2.gz KKWICPNSJFGXAX-UHFFFAOYSA-N 1 2 320.324 2.268 20 5 DEBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]c1C ZINC001651892867 1079840248 /nfs/dbraw/zinc/84/02/48/1079840248.db2.gz LMZDFPUIIALWCC-LBPRGKRZSA-N 1 2 303.322 2.240 20 5 DEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001254558574 1143248942 /nfs/dbraw/zinc/24/89/42/1143248942.db2.gz GJSNJKKJIGDPQQ-OCCSQVGLSA-N 1 2 307.369 2.254 20 5 DEBDLO CC(C)(C)OC(=O)N1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000152504472 282146711 /nfs/dbraw/zinc/14/67/11/282146711.db2.gz WNBCNLCUIHLPLE-UHFFFAOYSA-N 1 2 313.379 2.365 20 5 DEBDLO CNC(=O)[C@H]1CCC[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413217220 529925453 /nfs/dbraw/zinc/92/54/53/529925453.db2.gz YBFBUCNXOXVAKI-GXTWGEPZSA-N 1 2 314.345 2.470 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)c1c(Br)cncc1[N+](=O)[O-] ZINC000428132340 530026204 /nfs/dbraw/zinc/02/62/04/530026204.db2.gz SIPZRNPOAWCHRR-UHFFFAOYSA-N 1 2 312.127 2.112 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000330879111 232133351 /nfs/dbraw/zinc/13/33/51/232133351.db2.gz HLBHMSREALHWSY-NSHDSACASA-N 1 2 309.391 2.279 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000330879111 232133355 /nfs/dbraw/zinc/13/33/55/232133355.db2.gz HLBHMSREALHWSY-NSHDSACASA-N 1 2 309.391 2.279 20 5 DEBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000083417769 192371441 /nfs/dbraw/zinc/37/14/41/192371441.db2.gz XHGWHTLBPZVPKX-UHFFFAOYSA-N 1 2 309.391 2.361 20 5 DEBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000083417769 192371443 /nfs/dbraw/zinc/37/14/43/192371443.db2.gz XHGWHTLBPZVPKX-UHFFFAOYSA-N 1 2 309.391 2.361 20 5 DEBDLO O=C(NOC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272078991 539800675 /nfs/dbraw/zinc/80/06/75/539800675.db2.gz HANQUQXYJIQAEH-UHFFFAOYSA-N 1 2 316.317 2.385 20 5 DEBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c[nH+]1 ZINC000061586431 354627973 /nfs/dbraw/zinc/62/79/73/354627973.db2.gz CCBJRYZNERWQAP-UHFFFAOYSA-N 1 2 318.333 2.359 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065427509 354683277 /nfs/dbraw/zinc/68/32/77/354683277.db2.gz DIIWIRLAOVFFQX-NWDGAFQWSA-N 1 2 321.377 2.421 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065427509 354683278 /nfs/dbraw/zinc/68/32/78/354683278.db2.gz DIIWIRLAOVFFQX-NWDGAFQWSA-N 1 2 321.377 2.421 20 5 DEBDLO Cc1cnc(N2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000078627571 355271150 /nfs/dbraw/zinc/27/11/50/355271150.db2.gz GVQZPEFCRMYACN-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000166293677 355976915 /nfs/dbraw/zinc/97/69/15/355976915.db2.gz LYEAKELJQVJHOK-UHFFFAOYSA-N 1 2 315.329 2.146 20 5 DEBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCc2[nH+]c[nH]c2C1 ZINC000590568005 357559256 /nfs/dbraw/zinc/55/92/56/357559256.db2.gz YKUKYBPTXSBASJ-UHFFFAOYSA-N 1 2 324.138 2.038 20 5 DEBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590749435 357599696 /nfs/dbraw/zinc/59/96/96/357599696.db2.gz NJVCCDUZGCDBJI-UHFFFAOYSA-N 1 2 300.318 2.263 20 5 DEBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000590754438 357602675 /nfs/dbraw/zinc/60/26/75/357602675.db2.gz ICRKVGDPUGSHAG-UHFFFAOYSA-N 1 2 314.345 2.369 20 5 DEBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000590754438 357602678 /nfs/dbraw/zinc/60/26/78/357602678.db2.gz ICRKVGDPUGSHAG-UHFFFAOYSA-N 1 2 314.345 2.369 20 5 DEBDLO CN(C)C(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000179315287 199013689 /nfs/dbraw/zinc/01/36/89/199013689.db2.gz LHMBCJAGMFXHMB-UHFFFAOYSA-N 1 2 316.361 2.257 20 5 DEBDLO CN(C)C(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000179315287 199013691 /nfs/dbraw/zinc/01/36/91/199013691.db2.gz LHMBCJAGMFXHMB-UHFFFAOYSA-N 1 2 316.361 2.257 20 5 DEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276714239 213063476 /nfs/dbraw/zinc/06/34/76/213063476.db2.gz YSCIMXXNMDPGDB-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DEBDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595292933 358414584 /nfs/dbraw/zinc/41/45/84/358414584.db2.gz GAZAPNIFXMCTAV-UHFFFAOYSA-N 1 2 311.357 2.472 20 5 DEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595292933 358414589 /nfs/dbraw/zinc/41/45/89/358414589.db2.gz GAZAPNIFXMCTAV-UHFFFAOYSA-N 1 2 311.357 2.472 20 5 DEBDLO Cc1noc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000595387931 358437109 /nfs/dbraw/zinc/43/71/09/358437109.db2.gz BKMOUGOVQQUUGM-LLVKDONJSA-N 1 2 305.338 2.134 20 5 DEBDLO Cc1noc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000595387931 358437112 /nfs/dbraw/zinc/43/71/12/358437112.db2.gz BKMOUGOVQQUUGM-LLVKDONJSA-N 1 2 305.338 2.134 20 5 DEBDLO Cc1nnc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000595884443 358571388 /nfs/dbraw/zinc/57/13/88/358571388.db2.gz FSEPYJCZLWSMOL-UHFFFAOYSA-N 1 2 308.363 2.266 20 5 DEBDLO Cc1nnc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000595884443 358571391 /nfs/dbraw/zinc/57/13/91/358571391.db2.gz FSEPYJCZLWSMOL-UHFFFAOYSA-N 1 2 308.363 2.266 20 5 DEBDLO O=[N+]([O-])c1cncc(Cl)c1NCC[NH+]1Cc2ccccc2C1 ZINC000596098443 358610289 /nfs/dbraw/zinc/61/02/89/358610289.db2.gz NWGBBVYQOSSHOT-UHFFFAOYSA-N 1 2 318.764 2.493 20 5 DEBDLO COc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1C ZINC000596113023 358614064 /nfs/dbraw/zinc/61/40/64/358614064.db2.gz ILNPILMAEGBPCQ-LBPRGKRZSA-N 1 2 309.366 2.044 20 5 DEBDLO COc1cc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1C ZINC000596113023 358614065 /nfs/dbraw/zinc/61/40/65/358614065.db2.gz ILNPILMAEGBPCQ-LBPRGKRZSA-N 1 2 309.366 2.044 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596426461 358683532 /nfs/dbraw/zinc/68/35/32/358683532.db2.gz AFSGAGAWNVZHOP-NEPJUHHUSA-N 1 2 320.393 2.084 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596426461 358683536 /nfs/dbraw/zinc/68/35/36/358683536.db2.gz AFSGAGAWNVZHOP-NEPJUHHUSA-N 1 2 320.393 2.084 20 5 DEBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000596844904 358774193 /nfs/dbraw/zinc/77/41/93/358774193.db2.gz BQOVIKXFFLHFHN-ZLKJLUDKSA-N 1 2 314.345 2.309 20 5 DEBDLO CC1(C)CC[C@H](CO)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000598647043 359274748 /nfs/dbraw/zinc/27/47/48/359274748.db2.gz JXBUUUBEWMLSOK-GFCCVEGCSA-N 1 2 321.377 2.016 20 5 DEBDLO CC1(C)CC[C@H](CO)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000598647043 359274752 /nfs/dbraw/zinc/27/47/52/359274752.db2.gz JXBUUUBEWMLSOK-GFCCVEGCSA-N 1 2 321.377 2.016 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC=CCC1 ZINC000619154695 363719738 /nfs/dbraw/zinc/71/97/38/363719738.db2.gz QOGQXTAQIKIHNK-UHFFFAOYSA-N 1 2 303.362 2.193 20 5 DEBDLO CC(=O)NCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602699520 360506331 /nfs/dbraw/zinc/50/63/31/360506331.db2.gz WUUUNOOZULOKQE-UHFFFAOYSA-N 1 2 319.283 2.182 20 5 DEBDLO CC(=O)NCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602699520 360506337 /nfs/dbraw/zinc/50/63/37/360506337.db2.gz WUUUNOOZULOKQE-UHFFFAOYSA-N 1 2 319.283 2.182 20 5 DEBDLO CC[N@H+](CCC(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604525337 360912529 /nfs/dbraw/zinc/91/25/29/360912529.db2.gz QARUXAPWBQLANS-UHFFFAOYSA-N 1 2 319.283 2.468 20 5 DEBDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604525337 360912531 /nfs/dbraw/zinc/91/25/31/360912531.db2.gz QARUXAPWBQLANS-UHFFFAOYSA-N 1 2 319.283 2.468 20 5 DEBDLO Cc1[nH]c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000444833145 238333725 /nfs/dbraw/zinc/33/37/25/238333725.db2.gz HINFZHCWNFSXOZ-UHFFFAOYSA-N 1 2 313.273 2.132 20 5 DEBDLO CC[N@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609203834 361289740 /nfs/dbraw/zinc/28/97/40/361289740.db2.gz WNNJPJXBINTFNI-UHFFFAOYSA-N 1 2 323.393 2.292 20 5 DEBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609203834 361289742 /nfs/dbraw/zinc/28/97/42/361289742.db2.gz WNNJPJXBINTFNI-UHFFFAOYSA-N 1 2 323.393 2.292 20 5 DEBDLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271781306 209210249 /nfs/dbraw/zinc/21/02/49/209210249.db2.gz GVFIOCMBYUHGBZ-OUCADQQQSA-N 1 2 306.362 2.457 20 5 DEBDLO Cc1nn(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000265097729 204394106 /nfs/dbraw/zinc/39/41/06/204394106.db2.gz CQERDGFTSCGDFV-UHFFFAOYSA-N 1 2 302.338 2.376 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000267712614 206234941 /nfs/dbraw/zinc/23/49/41/206234941.db2.gz ISRFSUKWXJVIMZ-GFCCVEGCSA-N 1 2 302.334 2.367 20 5 DEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(F)ccc(F)c3C2)n1 ZINC000267771766 206271719 /nfs/dbraw/zinc/27/17/19/206271719.db2.gz SHFPTGJQFVFGKZ-UHFFFAOYSA-N 1 2 308.288 2.128 20 5 DEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(F)ccc(F)c3C2)n1 ZINC000267771766 206271720 /nfs/dbraw/zinc/27/17/20/206271720.db2.gz SHFPTGJQFVFGKZ-UHFFFAOYSA-N 1 2 308.288 2.128 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000456373531 247137420 /nfs/dbraw/zinc/13/74/20/247137420.db2.gz ZUEKWMVPTCINCZ-VIFPVBQESA-N 1 2 306.297 2.441 20 5 DEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000269182960 207302424 /nfs/dbraw/zinc/30/24/24/207302424.db2.gz LQPRKPUOYUBONQ-ZDUSSCGKSA-N 1 2 316.317 2.391 20 5 DEBDLO CO[C@@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000413242904 533037335 /nfs/dbraw/zinc/03/73/35/533037335.db2.gz YDEGQEAGKULCPW-OAHLLOKOSA-N 1 2 303.318 2.360 20 5 DEBDLO COc1ccc(NC(=O)C[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000270323812 208393887 /nfs/dbraw/zinc/39/38/87/208393887.db2.gz KOJOPPQFGYOBBW-UHFFFAOYSA-N 1 2 305.334 2.194 20 5 DEBDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000270323812 208393893 /nfs/dbraw/zinc/39/38/93/208393893.db2.gz KOJOPPQFGYOBBW-UHFFFAOYSA-N 1 2 305.334 2.194 20 5 DEBDLO CO[C@H](C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817265 533069874 /nfs/dbraw/zinc/06/98/74/533069874.db2.gz PJPUULNYYXXGKW-CYBMUJFWSA-N 1 2 323.393 2.264 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492188359 533383463 /nfs/dbraw/zinc/38/34/63/533383463.db2.gz NBXXFVAEDKQVOG-WASHYIJTSA-N 1 2 317.345 2.135 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492188359 533383466 /nfs/dbraw/zinc/38/34/66/533383466.db2.gz NBXXFVAEDKQVOG-WASHYIJTSA-N 1 2 317.345 2.135 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000562630446 291997980 /nfs/dbraw/zinc/99/79/80/291997980.db2.gz FBUJCNIKAQENGE-SNVBAGLBSA-N 1 2 317.349 2.344 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000359682461 133138943 /nfs/dbraw/zinc/13/89/43/133138943.db2.gz MXUQIZRKJHZFKS-VIFPVBQESA-N 1 2 306.347 2.115 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000359682461 133138944 /nfs/dbraw/zinc/13/89/44/133138944.db2.gz MXUQIZRKJHZFKS-VIFPVBQESA-N 1 2 306.347 2.115 20 5 DEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC3CCC2CC3)cc1 ZINC000368609903 133280693 /nfs/dbraw/zinc/28/06/93/133280693.db2.gz CAFWVPPSXRVYTH-UHFFFAOYSA-N 1 2 324.402 2.243 20 5 DEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC3CCC2CC3)cc1 ZINC000368609903 133280694 /nfs/dbraw/zinc/28/06/94/133280694.db2.gz CAFWVPPSXRVYTH-UHFFFAOYSA-N 1 2 324.402 2.243 20 5 DEBDLO 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CC[C@H](F)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000331292858 403371810 /nfs/dbraw/zinc/37/18/10/403371810.db2.gz LHRLYUWXVHEROH-ZDUSSCGKSA-N 1 2 309.341 2.101 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298728977 403449155 /nfs/dbraw/zinc/44/91/55/403449155.db2.gz RILBRHGNRCIWGC-UHFFFAOYSA-N 1 2 316.365 2.326 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286229757 403477821 /nfs/dbraw/zinc/47/78/21/403477821.db2.gz UCALSDNDZJFTNF-MRVPVSSYSA-N 1 2 304.335 2.297 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286229759 403477883 /nfs/dbraw/zinc/47/78/83/403477883.db2.gz UCALSDNDZJFTNF-QMMMGPOBSA-N 1 2 304.335 2.297 20 5 DEBDLO Cn1cc[nH+]c1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343314506 403536345 /nfs/dbraw/zinc/53/63/45/403536345.db2.gz VSZBAKAQHPXVBB-UHFFFAOYSA-N 1 2 300.274 2.005 20 5 DEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286355730 403507041 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318.308 2.097 20 5 DEBDLO CCCc1n[nH]c(C(=O)NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000421923886 528548525 /nfs/dbraw/zinc/54/85/25/528548525.db2.gz TWZGBPYWMQHCDO-UHFFFAOYSA-N 1 2 317.349 2.212 20 5 DEBDLO CC[C@@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000441123300 529224689 /nfs/dbraw/zinc/22/46/89/529224689.db2.gz XTXJWTLDPBZPGX-CQSZACIVSA-N 1 2 318.377 2.101 20 5 DEBDLO CC[C@@H](O)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000441123300 529224692 /nfs/dbraw/zinc/22/46/92/529224692.db2.gz XTXJWTLDPBZPGX-CQSZACIVSA-N 1 2 318.377 2.101 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000450835676 536124395 /nfs/dbraw/zinc/12/43/95/536124395.db2.gz XMJUOTLHXGVXFQ-VIFPVBQESA-N 1 2 319.321 2.166 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000450825786 536125303 /nfs/dbraw/zinc/12/53/03/536125303.db2.gz FIWFPDAXQYEICH-JTQLQIEISA-N 1 2 317.349 2.344 20 5 DEBDLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820432173 599408952 /nfs/dbraw/zinc/40/89/52/599408952.db2.gz MUTHZDWBIIKXGD-VIFPVBQESA-N 1 2 314.305 2.219 20 5 DEBDLO COc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000892908882 625708543 /nfs/dbraw/zinc/70/85/43/625708543.db2.gz IJRQWRWOMJUIIG-AAEUAGOBSA-N 1 2 317.349 2.282 20 5 DEBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)O1 ZINC000065224542 624713958 /nfs/dbraw/zinc/71/39/58/624713958.db2.gz RPXNEVUZDQCRDJ-LLVKDONJSA-N 1 2 304.350 2.401 20 5 DEBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)O1 ZINC000065224542 624713960 /nfs/dbraw/zinc/71/39/60/624713960.db2.gz RPXNEVUZDQCRDJ-LLVKDONJSA-N 1 2 304.350 2.401 20 5 DEBDLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)O1 ZINC000923773566 625159906 /nfs/dbraw/zinc/15/99/06/625159906.db2.gz MUIUAJVWCMIPHC-SKDRFNHKSA-N 1 2 304.306 2.036 20 5 DEBDLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)O1 ZINC000923773566 625159908 /nfs/dbraw/zinc/15/99/08/625159908.db2.gz MUIUAJVWCMIPHC-SKDRFNHKSA-N 1 2 304.306 2.036 20 5 DEBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000755042605 639509491 /nfs/dbraw/zinc/50/94/91/639509491.db2.gz XLDBIXJYDWMBKX-KIWPFMIBSA-N 1 2 314.345 2.400 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000756723307 639688984 /nfs/dbraw/zinc/68/89/84/639688984.db2.gz KQMDFPFOACFAQX-JTQLQIEISA-N 1 2 318.308 2.097 20 5 DEBDLO O=C(O[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000761335658 640301033 /nfs/dbraw/zinc/30/10/33/640301033.db2.gz QHVUQLQACVZWDH-LBPRGKRZSA-N 1 2 317.301 2.116 20 5 DEBDLO Cc1ccc(-c2noc([C@@H]3C[N@@H+](C)C[C@@H](C)O3)n2)cc1[N+](=O)[O-] ZINC000923821723 640615753 /nfs/dbraw/zinc/61/57/53/640615753.db2.gz REXGDXJJYGXKHX-MFKMUULPSA-N 1 2 318.333 2.345 20 5 DEBDLO Cc1ccc(-c2noc([C@@H]3C[N@H+](C)C[C@@H](C)O3)n2)cc1[N+](=O)[O-] ZINC000923821723 640615757 /nfs/dbraw/zinc/61/57/57/640615757.db2.gz REXGDXJJYGXKHX-MFKMUULPSA-N 1 2 318.333 2.345 20 5 DEBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000897683577 640902823 /nfs/dbraw/zinc/90/28/23/640902823.db2.gz FAMBEFAMQXOMRW-KWQFWETISA-N 1 2 302.277 2.009 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000897683577 640902825 /nfs/dbraw/zinc/90/28/25/640902825.db2.gz FAMBEFAMQXOMRW-KWQFWETISA-N 1 2 302.277 2.009 20 5 DEBDLO COc1nn(C)cc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000898022781 641003532 /nfs/dbraw/zinc/00/35/32/641003532.db2.gz KUPRDOKCNLKPNF-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000898483566 641672951 /nfs/dbraw/zinc/67/29/51/641672951.db2.gz LXBDBFAFTBARKF-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000898483566 641672956 /nfs/dbraw/zinc/67/29/56/641672956.db2.gz LXBDBFAFTBARKF-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1nn(C[NH+]2CCC(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000779867999 642551714 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CC[N@@H+]1CCO[C@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001345673087 1150904171 /nfs/dbraw/zinc/90/41/71/1150904171.db2.gz GJWSDTYVMKYQBR-LBPRGKRZSA-N 1 2 304.306 2.038 20 5 DEBDLO CC[N@H+]1CCO[C@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001345673087 1150904175 /nfs/dbraw/zinc/90/41/75/1150904175.db2.gz GJWSDTYVMKYQBR-LBPRGKRZSA-N 1 2 304.306 2.038 20 5 DEBDLO Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1 ZINC001346655025 1151011927 /nfs/dbraw/zinc/01/19/27/1151011927.db2.gz CMRSPRHVUCLVNF-UHFFFAOYSA-N 1 2 301.306 2.147 20 5 DEBDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001546000273 1184871607 /nfs/dbraw/zinc/87/16/07/1184871607.db2.gz ITCORMGZMRKQGO-UHFFFAOYSA-N 1 2 314.345 2.360 20 5 DEBDLO CC(C)[NH+]1CC(Nc2nccc(Br)c2[N+](=O)[O-])C1 ZINC001168316326 780833801 /nfs/dbraw/zinc/83/38/01/780833801.db2.gz WSTZSEUGRFDMBF-UHFFFAOYSA-N 1 2 315.171 2.257 20 5 DEBDLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039864 785012685 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COCCC[NH+]1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225626127 802992433 /nfs/dbraw/zinc/99/24/33/802992433.db2.gz OHMQDEDEFSDBLU-UHFFFAOYSA-N 1 2 310.350 2.180 20 5 DEBDLO C[C@](CO)([NH2+]Cc1cnc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC001644141216 1078831492 /nfs/dbraw/zinc/83/14/92/1078831492.db2.gz IFXVJENECYDWMU-CQSZACIVSA-N 1 2 322.752 2.036 20 5 DEBDLO CC[N@H+](CCNC(=O)c1cc[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC001480977874 1079023674 /nfs/dbraw/zinc/02/36/74/1079023674.db2.gz MJDLNMMCUQZSMU-UHFFFAOYSA-N 1 2 322.390 2.236 20 5 DEBDLO CC[N@@H+](CCNC(=O)c1cc[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC001480977874 1079023685 /nfs/dbraw/zinc/02/36/85/1079023685.db2.gz MJDLNMMCUQZSMU-UHFFFAOYSA-N 1 2 322.390 2.236 20 5 DEBDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001559273095 1075117568 /nfs/dbraw/zinc/11/75/68/1075117568.db2.gz YPUDSOGBBIMJTQ-NSHDSACASA-N 1 2 324.337 2.026 20 5 DEBDLO CC[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001559273095 1075117570 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC12CCC2 ZINC000610433300 361400284 /nfs/dbraw/zinc/40/02/84/361400284.db2.gz NYYMTNZCAULFLI-UHFFFAOYSA-N 1 2 305.334 2.170 20 5 DEBDLO COc1cc(C[N@@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000611272409 361568632 /nfs/dbraw/zinc/56/86/32/361568632.db2.gz HWOBTTDAIYOSBL-NSHDSACASA-N 1 2 310.350 2.223 20 5 DEBDLO COc1cc(C[N@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000611272409 361568639 /nfs/dbraw/zinc/56/86/39/361568639.db2.gz HWOBTTDAIYOSBL-NSHDSACASA-N 1 2 310.350 2.223 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275484600 212364429 /nfs/dbraw/zinc/36/44/29/212364429.db2.gz OSNFXASPPDCCGL-SMDDNHRTSA-N 1 2 321.377 2.015 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275484600 212364431 /nfs/dbraw/zinc/36/44/31/212364431.db2.gz OSNFXASPPDCCGL-SMDDNHRTSA-N 1 2 321.377 2.015 20 5 DEBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000091211878 193019607 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CC(C)NC(=O)c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000301109105 403590079 /nfs/dbraw/zinc/59/00/79/403590079.db2.gz VNQDPCWNHQCFPP-UHFFFAOYSA-N 1 2 317.349 2.042 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000332404921 403572625 /nfs/dbraw/zinc/57/26/25/403572625.db2.gz BAPSNLKLAJRZNL-UHFFFAOYSA-N 1 2 319.340 2.184 20 5 DEBDLO CC(C)(NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000293831992 403575624 /nfs/dbraw/zinc/57/56/24/403575624.db2.gz BKKJKERFVYWKKE-UHFFFAOYSA-N 1 2 302.334 2.302 20 5 DEBDLO CC(C)(NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000293831992 403575625 /nfs/dbraw/zinc/57/56/25/403575625.db2.gz BKKJKERFVYWKKE-UHFFFAOYSA-N 1 2 302.334 2.302 20 5 DEBDLO CNC(=O)c1ccc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000301239017 403604694 /nfs/dbraw/zinc/60/46/94/403604694.db2.gz IZNWIROJQXNLOM-UHFFFAOYSA-N 1 2 314.345 2.312 20 5 DEBDLO COCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301455069 403631577 /nfs/dbraw/zinc/63/15/77/403631577.db2.gz 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O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3c(s2)COCC3)cc1 ZINC000922962747 636887777 /nfs/dbraw/zinc/88/77/77/636887777.db2.gz QRDPGGWTPMDJNK-UHFFFAOYSA-N 1 2 305.359 2.414 20 5 DEBDLO CC(C)OCCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000740858143 637910406 /nfs/dbraw/zinc/91/04/06/637910406.db2.gz VVJRKTRIDKGMJT-UHFFFAOYSA-N 1 2 323.349 2.207 20 5 DEBDLO CC(C)OCCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000740858143 637910410 /nfs/dbraw/zinc/91/04/10/637910410.db2.gz VVJRKTRIDKGMJT-UHFFFAOYSA-N 1 2 323.349 2.207 20 5 DEBDLO O=C1OCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895804077 638206279 /nfs/dbraw/zinc/20/62/79/638206279.db2.gz MQCUQYBWRZZARC-UBHSHLNASA-N 1 2 304.346 2.211 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1c(OC)cccc1[N+](=O)[O-])C2 ZINC000896654917 638627048 /nfs/dbraw/zinc/62/70/48/638627048.db2.gz QQMUPVLMXZYVTJ-UHFFFAOYSA-N 1 2 302.334 2.383 20 5 DEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000751669764 639104857 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309.341 2.395 20 5 DEBDLO Cc1cc(C(=O)OCCCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000789790755 643776661 /nfs/dbraw/zinc/77/66/61/643776661.db2.gz AIMFDVAFQRDCSD-UHFFFAOYSA-N 1 2 303.318 2.426 20 5 DEBDLO Nc1cc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000791810162 644033393 /nfs/dbraw/zinc/03/33/93/644033393.db2.gz JCWCLCVKWRLHCK-UHFFFAOYSA-N 1 2 312.285 2.410 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000793241372 644213912 /nfs/dbraw/zinc/21/39/12/644213912.db2.gz KTRISMFRFNPPNG-DAXSKMNVSA-N 1 2 301.302 2.127 20 5 DEBDLO COc1cc(C(=O)OCCc2c[nH+]cn2C)cc([N+](=O)[O-])c1C ZINC000793251690 644215826 /nfs/dbraw/zinc/21/58/26/644215826.db2.gz TZYZJPBQVLMXJE-UHFFFAOYSA-N 1 2 319.317 2.045 20 5 DEBDLO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H](C2CC2)O1 ZINC000794654296 644453606 /nfs/dbraw/zinc/45/36/06/644453606.db2.gz ONPCRADDIFYKBF-ZBEGNZNMSA-N 1 2 316.361 2.401 20 5 DEBDLO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H](C2CC2)O1 ZINC000794654296 644453608 /nfs/dbraw/zinc/45/36/08/644453608.db2.gz ONPCRADDIFYKBF-ZBEGNZNMSA-N 1 2 316.361 2.401 20 5 DEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000907514012 644574664 /nfs/dbraw/zinc/57/46/64/644574664.db2.gz BVSGFYLWLKHGEN-UHFFFAOYSA-N 1 2 315.732 2.210 20 5 DEBDLO CC[C@@H]1CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645283 644611240 /nfs/dbraw/zinc/61/12/40/644611240.db2.gz SQEWSLDPFLMPAP-CYBMUJFWSA-N 1 2 305.378 2.285 20 5 DEBDLO CC[C@@H]1CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645283 644611242 /nfs/dbraw/zinc/61/12/42/644611242.db2.gz SQEWSLDPFLMPAP-CYBMUJFWSA-N 1 2 305.378 2.285 20 5 DEBDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796580649 644758394 /nfs/dbraw/zinc/75/83/94/644758394.db2.gz ROPWCZVFACAMPQ-HZMBPMFUSA-N 1 2 314.769 2.220 20 5 DEBDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796580649 644758396 /nfs/dbraw/zinc/75/83/96/644758396.db2.gz ROPWCZVFACAMPQ-HZMBPMFUSA-N 1 2 314.769 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Cc1cc(C(=O)NCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000149870232 355919704 /nfs/dbraw/zinc/91/97/04/355919704.db2.gz CEQLEBCYCKHJBG-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO CSc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000590379515 357538416 /nfs/dbraw/zinc/53/84/16/357538416.db2.gz VMBIYOHBENLZNU-UHFFFAOYSA-N 1 2 318.358 2.238 20 5 DEBDLO CSc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000590379515 357538417 /nfs/dbraw/zinc/53/84/17/357538417.db2.gz VMBIYOHBENLZNU-UHFFFAOYSA-N 1 2 318.358 2.238 20 5 DEBDLO COc1c(C)c[nH+]c(CN(C)c2ccc(N)c([N+](=O)[O-])n2)c1C ZINC000590575314 357559728 /nfs/dbraw/zinc/55/97/28/357559728.db2.gz KGNXPVBOVPFOMR-UHFFFAOYSA-N 1 2 317.349 2.229 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000179238477 199003162 /nfs/dbraw/zinc/00/31/62/199003162.db2.gz VWXYOTPHIGLMCR-UHFFFAOYSA-N 1 2 322.361 2.332 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000179238477 199003163 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2.079 20 5 DEBDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597858624 359023105 /nfs/dbraw/zinc/02/31/05/359023105.db2.gz SWYVUXQTQRZATE-UHFFFAOYSA-N 1 2 302.334 2.254 20 5 DEBDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597858624 359023109 /nfs/dbraw/zinc/02/31/09/359023109.db2.gz SWYVUXQTQRZATE-UHFFFAOYSA-N 1 2 302.334 2.254 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597809293 359012524 /nfs/dbraw/zinc/01/25/24/359012524.db2.gz UYADCERJKUBNHV-JTQLQIEISA-N 1 2 315.333 2.034 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464635 359208957 /nfs/dbraw/zinc/20/89/57/359208957.db2.gz KKOXDDOAHFEILZ-NSHDSACASA-N 1 2 302.334 2.436 20 5 DEBDLO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000598647602 359274859 /nfs/dbraw/zinc/27/48/59/359274859.db2.gz PITHYXWUISBLLQ-UWVGGRQHSA-N 1 2 300.305 2.323 20 5 DEBDLO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000598647602 359274861 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Cc1c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000609029037 361276777 /nfs/dbraw/zinc/27/67/77/361276777.db2.gz FNGNQTRMNKEVDW-UHFFFAOYSA-N 1 2 313.313 2.202 20 5 DEBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cn[nH]c1 ZINC000610487715 361406483 /nfs/dbraw/zinc/40/64/83/361406483.db2.gz SBIAYZACJCOIOC-UHFFFAOYSA-N 1 2 323.740 2.042 20 5 DEBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cn[nH]c1 ZINC000610487715 361406491 /nfs/dbraw/zinc/40/64/91/361406491.db2.gz SBIAYZACJCOIOC-UHFFFAOYSA-N 1 2 323.740 2.042 20 5 DEBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610991036 361505727 /nfs/dbraw/zinc/50/57/27/361505727.db2.gz YSBJPHMCRAVMHB-LLVKDONJSA-N 1 2 308.334 2.072 20 5 DEBDLO C[C@@H]1COCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610991036 361505732 /nfs/dbraw/zinc/50/57/32/361505732.db2.gz YSBJPHMCRAVMHB-LLVKDONJSA-N 1 2 308.334 2.072 20 5 DEBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008594 361512770 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CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000187310396 284046963 /nfs/dbraw/zinc/04/69/63/284046963.db2.gz XVXXMSGYJQNCAE-MRXNPFEDSA-N 1 2 305.378 2.394 20 5 DEBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000187310396 284046965 /nfs/dbraw/zinc/04/69/65/284046965.db2.gz XVXXMSGYJQNCAE-MRXNPFEDSA-N 1 2 305.378 2.394 20 5 DEBDLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000452568459 244395694 /nfs/dbraw/zinc/39/56/94/244395694.db2.gz BGWFABRIXAQQQT-JTQLQIEISA-N 1 2 320.324 2.370 20 5 DEBDLO COC1(C)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000271722576 209155693 /nfs/dbraw/zinc/15/56/93/209155693.db2.gz LEGNTMVFXINHFX-UHFFFAOYSA-N 1 2 307.350 2.034 20 5 DEBDLO COC(=O)[C@H]1CCCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000364695422 284318125 /nfs/dbraw/zinc/31/81/25/284318125.db2.gz JHBYBONMMRXRMH-CABCVRRESA-N 1 2 322.361 2.046 20 5 DEBDLO COC(=O)[C@H]1CCCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000364695422 284318131 /nfs/dbraw/zinc/31/81/31/284318131.db2.gz JHBYBONMMRXRMH-CABCVRRESA-N 1 2 322.361 2.046 20 5 DEBDLO O=C(CCc1[nH]cc[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000288350467 220100290 /nfs/dbraw/zinc/10/02/90/220100290.db2.gz GSLWVZRBUPHGGP-UHFFFAOYSA-N 1 2 314.345 2.442 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000456336532 247101018 /nfs/dbraw/zinc/10/10/18/247101018.db2.gz ANAWFGPCTOGSPP-JTQLQIEISA-N 1 2 318.333 2.311 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000456356464 247119023 /nfs/dbraw/zinc/11/90/23/247119023.db2.gz OYHLGCPTXMGJHY-SNVBAGLBSA-N 1 2 318.333 2.311 20 5 DEBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127719758 296241535 /nfs/dbraw/zinc/24/15/35/296241535.db2.gz VZZXZKRMNQVDQF-NSHDSACASA-N 1 2 314.345 2.282 20 5 DEBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127719758 296241536 /nfs/dbraw/zinc/24/15/36/296241536.db2.gz VZZXZKRMNQVDQF-NSHDSACASA-N 1 2 314.345 2.282 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCn1cc[nH+]c1 ZINC000267911676 206333583 /nfs/dbraw/zinc/33/35/83/206333583.db2.gz ANQYBBPDNKRXDH-UHFFFAOYSA-N 1 2 303.322 2.230 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000492490104 249075081 /nfs/dbraw/zinc/07/50/81/249075081.db2.gz HMBYQVFRJQSTON-VOTSOKGWSA-N 1 2 316.317 2.472 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492858379 249156221 /nfs/dbraw/zinc/15/62/21/249156221.db2.gz ZFQKVXJBSJHWHR-DAXSKMNVSA-N 1 2 313.313 2.328 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)s1 ZINC000273942481 211195766 /nfs/dbraw/zinc/19/57/66/211195766.db2.gz SCRWIPHIVDMOTJ-VIFPVBQESA-N 1 2 322.346 2.242 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)s1 ZINC000273942481 211195769 /nfs/dbraw/zinc/19/57/69/211195769.db2.gz SCRWIPHIVDMOTJ-VIFPVBQESA-N 1 2 322.346 2.242 20 5 DEBDLO Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000158809866 197302496 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DEBDLO CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076347584 401792603 /nfs/dbraw/zinc/79/26/03/401792603.db2.gz HZWQURRQZHCARR-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076347584 401792604 /nfs/dbraw/zinc/79/26/04/401792604.db2.gz HZWQURRQZHCARR-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000130148459 401820175 /nfs/dbraw/zinc/82/01/75/401820175.db2.gz OCSCDDQGQJYKEP-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280649 401847602 /nfs/dbraw/zinc/84/76/02/401847602.db2.gz XEQMUJBPJCLUCZ-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280649 401847605 /nfs/dbraw/zinc/84/76/05/401847605.db2.gz XEQMUJBPJCLUCZ-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000116276336 401847931 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C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000067399487 402158148 /nfs/dbraw/zinc/15/81/48/402158148.db2.gz DVTMRYMVNCOKSQ-SMDDNHRTSA-N 1 2 321.402 2.137 20 5 DEBDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000067399487 402158149 /nfs/dbraw/zinc/15/81/49/402158149.db2.gz DVTMRYMVNCOKSQ-SMDDNHRTSA-N 1 2 321.402 2.137 20 5 DEBDLO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255768899 402696029 /nfs/dbraw/zinc/69/60/29/402696029.db2.gz HHZPDBOCCLUDSA-BRLPQQTGSA-N 1 2 324.402 2.117 20 5 DEBDLO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255768899 402696031 /nfs/dbraw/zinc/69/60/31/402696031.db2.gz HHZPDBOCCLUDSA-BRLPQQTGSA-N 1 2 324.402 2.117 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000175020355 402771882 /nfs/dbraw/zinc/77/18/82/402771882.db2.gz KVQJWDJAQJJUQN-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(C)=O)CC1 ZINC000175020355 402771885 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Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000344586732 404242722 /nfs/dbraw/zinc/24/27/22/404242722.db2.gz WRERVFQWJGKRBY-ZDUSSCGKSA-N 1 2 300.318 2.209 20 5 DEBDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000297197813 404495708 /nfs/dbraw/zinc/49/57/08/404495708.db2.gz FVPWYWYWAFLURO-DZGCQCFKSA-N 1 2 314.345 2.257 20 5 DEBDLO Cc1cc(N2C[C@@H](C)[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000351506785 404614359 /nfs/dbraw/zinc/61/43/59/404614359.db2.gz WJDSEFNMTDXOQK-YGRLFVJLSA-N 1 2 314.345 2.177 20 5 DEBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330506838 404676478 /nfs/dbraw/zinc/67/64/78/404676478.db2.gz HMWUVZBTTNEMJS-HNNXBMFYSA-N 1 2 307.350 2.479 20 5 DEBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330506838 404676482 /nfs/dbraw/zinc/67/64/82/404676482.db2.gz HMWUVZBTTNEMJS-HNNXBMFYSA-N 1 2 307.350 2.479 20 5 DEBDLO C[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000353398018 404823051 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CKPLGZUVGVKOIX-QWRGUYRKSA-N 1 2 317.345 2.126 20 5 DEBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929719879 694012597 /nfs/dbraw/zinc/01/25/97/694012597.db2.gz QXLDALWOYRPKGQ-OAHLLOKOSA-N 1 2 313.348 2.310 20 5 DEBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865972895 687396954 /nfs/dbraw/zinc/39/69/54/687396954.db2.gz WETRZUHCGWEVDM-JTQLQIEISA-N 1 2 301.293 2.275 20 5 DEBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865972895 687396959 /nfs/dbraw/zinc/39/69/59/687396959.db2.gz WETRZUHCGWEVDM-JTQLQIEISA-N 1 2 301.293 2.275 20 5 DEBDLO CC1(C)C[C@](C)([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000930880995 694261955 /nfs/dbraw/zinc/26/19/55/694261955.db2.gz YRVNUQQXUCXLGA-INIZCTEOSA-N 1 2 322.361 2.438 20 5 DEBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000886315359 692053914 /nfs/dbraw/zinc/05/39/14/692053914.db2.gz IOCGYAXMHODBTN-HOTGVXAUSA-N 1 2 310.357 2.453 20 5 DEBDLO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000886315359 692053918 /nfs/dbraw/zinc/05/39/18/692053918.db2.gz IOCGYAXMHODBTN-HOTGVXAUSA-N 1 2 310.357 2.453 20 5 DEBDLO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000886595650 692124424 /nfs/dbraw/zinc/12/44/24/692124424.db2.gz MTDSOINIXQSBKT-AWEZNQCLSA-N 1 2 321.377 2.103 20 5 DEBDLO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000886595650 692124427 /nfs/dbraw/zinc/12/44/27/692124427.db2.gz MTDSOINIXQSBKT-AWEZNQCLSA-N 1 2 321.377 2.103 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001332836952 1149898671 /nfs/dbraw/zinc/89/86/71/1149898671.db2.gz BNUHSKZJGRXQCJ-BYCMXARLSA-N 1 2 314.345 2.100 20 5 DEBDLO O=C(NCCCNc1cccc[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC001444666413 1183509057 /nfs/dbraw/zinc/50/90/57/1183509057.db2.gz SXTJHNNIJDKECA-UHFFFAOYSA-N 1 2 318.308 2.361 20 5 DEBDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC[N+](=O)[O-] ZINC001333006144 1149955695 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CCc1nn(C)c(NCCCN(C)c2cccc[nH+]2)c1[N+](=O)[O-] ZINC001640330527 1078654769 /nfs/dbraw/zinc/65/47/69/1078654769.db2.gz UFZIMFHOFQZHFZ-UHFFFAOYSA-N 1 2 318.381 2.224 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001541008702 1072435513 /nfs/dbraw/zinc/43/55/13/1072435513.db2.gz VDIXNZGQOAOQTK-SECBINFHSA-N 1 2 308.725 2.263 20 5 DEBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1Cc2c[nH+]cn2C1 ZINC001669906822 1081479080 /nfs/dbraw/zinc/47/90/80/1081479080.db2.gz XMWNWHZVFCXVDR-QMMMGPOBSA-N 1 2 321.724 2.191 20 5 DEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001254553289 1143246355 /nfs/dbraw/zinc/24/63/55/1143246355.db2.gz UPLFMHOABBOMLX-UGFHNGPFSA-N 1 2 314.332 2.270 20 5 DEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001254553289 1143246361 /nfs/dbraw/zinc/24/63/61/1143246361.db2.gz UPLFMHOABBOMLX-UGFHNGPFSA-N 1 2 314.332 2.270 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263544421 1144380721 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DEBDLO CCC[N@@H+](CC(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181672577 199336802 /nfs/dbraw/zinc/33/68/02/199336802.db2.gz JZDJEVIQAMOZEM-NSHDSACASA-N 1 2 318.320 2.312 20 5 DEBDLO CCC[N@H+](CC(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181672577 199336804 /nfs/dbraw/zinc/33/68/04/199336804.db2.gz JZDJEVIQAMOZEM-NSHDSACASA-N 1 2 318.320 2.312 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2CO)c(Cl)c1 ZINC000330840464 232106189 /nfs/dbraw/zinc/10/61/89/232106189.db2.gz MARCZINJMYLNTI-NSHDSACASA-N 1 2 302.783 2.158 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(Cl)c1 ZINC000330840464 232106193 /nfs/dbraw/zinc/10/61/93/232106193.db2.gz MARCZINJMYLNTI-NSHDSACASA-N 1 2 302.783 2.158 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000287090924 219305643 /nfs/dbraw/zinc/30/56/43/219305643.db2.gz VWDOLIFMBYFIAK-HNNXBMFYSA-N 1 2 312.341 2.290 20 5 DEBDLO CCOc1cc(C[N@H+]2CCC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000287090924 219305646 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Cc1cc(N(C)[C@H](C)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000360084362 133160683 /nfs/dbraw/zinc/16/06/83/133160683.db2.gz SYHLSUOXKLVUEV-GFCCVEGCSA-N 1 2 311.357 2.199 20 5 DEBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)CO1 ZINC000246273667 145096532 /nfs/dbraw/zinc/09/65/32/145096532.db2.gz WCXZFQHXFFPMNE-UKRRQHHQSA-N 1 2 316.361 2.253 20 5 DEBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)CO1 ZINC000246273667 145096533 /nfs/dbraw/zinc/09/65/33/145096533.db2.gz WCXZFQHXFFPMNE-UKRRQHHQSA-N 1 2 316.361 2.253 20 5 DEBDLO CCOC(=O)c1cc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000357323530 147087362 /nfs/dbraw/zinc/08/73/62/147087362.db2.gz GVGOBTJZMQMKKK-NSHDSACASA-N 1 2 318.333 2.469 20 5 DEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000370616730 148037277 /nfs/dbraw/zinc/03/72/77/148037277.db2.gz WLBRZWFKRJMVLM-LLVKDONJSA-N 1 2 318.333 2.016 20 5 DEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC000371255867 148077695 /nfs/dbraw/zinc/07/76/95/148077695.db2.gz MLIFFDLMVZRQAW-SNVBAGLBSA-N 1 2 320.374 2.469 20 5 DEBDLO Cc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374326252 148231667 /nfs/dbraw/zinc/23/16/67/148231667.db2.gz FKBQMPLSSWTENJ-ZDUSSCGKSA-N 1 2 314.345 2.266 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000074311751 401735198 /nfs/dbraw/zinc/73/51/98/401735198.db2.gz AKMBQWMVDZPQND-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO Cc1c(CC(=O)N(C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000133450426 401887279 /nfs/dbraw/zinc/88/72/79/401887279.db2.gz GTNWWJPWPHZCFK-UHFFFAOYSA-N 1 2 316.361 2.191 20 5 DEBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000118418960 401898564 /nfs/dbraw/zinc/89/85/64/401898564.db2.gz NPVJTWUBMURWBU-NEPJUHHUSA-N 1 2 323.418 2.383 20 5 DEBDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000118418960 401898566 /nfs/dbraw/zinc/89/85/66/401898566.db2.gz NPVJTWUBMURWBU-NEPJUHHUSA-N 1 2 323.418 2.383 20 5 DEBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119847698 401968556 /nfs/dbraw/zinc/96/85/56/401968556.db2.gz LGJOYCJAGHRSRA-AYLIAGHASA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119847698 401968557 /nfs/dbraw/zinc/96/85/57/401968557.db2.gz LGJOYCJAGHRSRA-AYLIAGHASA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119847992 401969080 /nfs/dbraw/zinc/96/90/80/401969080.db2.gz LGJOYCJAGHRSRA-HOGDKLEQSA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119847992 401969083 /nfs/dbraw/zinc/96/90/83/401969083.db2.gz LGJOYCJAGHRSRA-HOGDKLEQSA-N 1 2 304.799 2.447 20 5 DEBDLO Nc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000120335760 401986929 /nfs/dbraw/zinc/98/69/29/401986929.db2.gz DCJYMSODVVEZFN-LBPRGKRZSA-N 1 2 315.333 2.268 20 5 DEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000120569396 401994151 /nfs/dbraw/zinc/99/41/51/401994151.db2.gz QUKCPVRJHGPLIL-CQSZACIVSA-N 1 2 308.334 2.001 20 5 DEBDLO CCOC(=O)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000120569396 401994152 /nfs/dbraw/zinc/99/41/52/401994152.db2.gz QUKCPVRJHGPLIL-CQSZACIVSA-N 1 2 308.334 2.001 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000122923837 402101208 /nfs/dbraw/zinc/10/12/08/402101208.db2.gz HXZGVABEAHVHKW-UHFFFAOYSA-N 1 2 319.321 2.001 20 5 DEBDLO C[N@H+](CCc1ccccn1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000123405227 402125926 /nfs/dbraw/zinc/12/59/26/402125926.db2.gz QFPGYWYTVPFAFE-UHFFFAOYSA-N 1 2 314.345 2.103 20 5 DEBDLO C[N@@H+](CCc1ccccn1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000123405227 402125929 /nfs/dbraw/zinc/12/59/29/402125929.db2.gz QFPGYWYTVPFAFE-UHFFFAOYSA-N 1 2 314.345 2.103 20 5 DEBDLO CCOC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000098143251 402138822 /nfs/dbraw/zinc/13/88/22/402138822.db2.gz LWPTYLUJAXBULP-UHFFFAOYSA-N 1 2 308.334 2.001 20 5 DEBDLO CCOC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000098143251 402138823 /nfs/dbraw/zinc/13/88/23/402138823.db2.gz LWPTYLUJAXBULP-UHFFFAOYSA-N 1 2 308.334 2.001 20 5 DEBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000125367000 402228188 /nfs/dbraw/zinc/22/81/88/402228188.db2.gz VZDDRERPJUSRFB-UHFFFAOYSA-N 1 2 314.345 2.450 20 5 DEBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000125367000 402228192 /nfs/dbraw/zinc/22/81/92/402228192.db2.gz VZDDRERPJUSRFB-UHFFFAOYSA-N 1 2 314.345 2.450 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC4(CCC4)C3)nc2c1 ZINC000154364838 402208623 /nfs/dbraw/zinc/20/86/23/402208623.db2.gz AGJOFTZWOZTVSV-UHFFFAOYSA-N 1 2 303.318 2.491 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC4(CCC4)C3)nc2c1 ZINC000154364838 402208625 /nfs/dbraw/zinc/20/86/25/402208625.db2.gz AGJOFTZWOZTVSV-UHFFFAOYSA-N 1 2 303.318 2.491 20 5 DEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000184777744 402299343 /nfs/dbraw/zinc/29/93/43/402299343.db2.gz VBAMQAIVFBAERC-ZDUSSCGKSA-N 1 2 316.361 2.246 20 5 DEBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC(C)(C)C ZINC000170645823 402510360 /nfs/dbraw/zinc/51/03/60/402510360.db2.gz XCKRCFUVJSJRTM-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC(C)(C)C ZINC000170645823 402510363 /nfs/dbraw/zinc/51/03/63/402510363.db2.gz XCKRCFUVJSJRTM-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO CC1(C)COCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000178836136 402545073 /nfs/dbraw/zinc/54/50/73/402545073.db2.gz ZSDMRGVMHJZXOQ-UHFFFAOYSA-N 1 2 314.773 2.166 20 5 DEBDLO CC1(C)COCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000178836136 402545077 /nfs/dbraw/zinc/54/50/77/402545077.db2.gz ZSDMRGVMHJZXOQ-UHFFFAOYSA-N 1 2 314.773 2.166 20 5 DEBDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000178773649 402537580 /nfs/dbraw/zinc/53/75/80/402537580.db2.gz RRERWGGMPPKWSW-AAEUAGOBSA-N 1 2 314.345 2.231 20 5 DEBDLO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179518570 402592698 /nfs/dbraw/zinc/59/26/98/402592698.db2.gz OKQAPLKNUYUPBF-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000171701864 402611676 /nfs/dbraw/zinc/61/16/76/402611676.db2.gz OVXJNMMRLLZACF-LLVKDONJSA-N 1 2 309.391 2.279 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000171701864 402611678 /nfs/dbraw/zinc/61/16/78/402611678.db2.gz OVXJNMMRLLZACF-LLVKDONJSA-N 1 2 309.391 2.279 20 5 DEBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000566438571 292240542 /nfs/dbraw/zinc/24/05/42/292240542.db2.gz KYMWCQSOAKDSPU-QWRGUYRKSA-N 1 2 302.334 2.374 20 5 DEBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000566438571 292240544 /nfs/dbraw/zinc/24/05/44/292240544.db2.gz KYMWCQSOAKDSPU-QWRGUYRKSA-N 1 2 302.334 2.374 20 5 DEBDLO CCOC(=O)[C@@H](CC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000173526226 402701407 /nfs/dbraw/zinc/70/14/07/402701407.db2.gz GUUMXHSIEFDHNV-OAHLLOKOSA-N 1 2 321.377 2.059 20 5 DEBDLO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000174759628 402755824 /nfs/dbraw/zinc/75/58/24/402755824.db2.gz WJMRLJYZGSSTGM-LBPRGKRZSA-N 1 2 321.377 2.104 20 5 DEBDLO CC(C)COC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000193692352 402775197 /nfs/dbraw/zinc/77/51/97/402775197.db2.gz BSBJKQZUTIIDOQ-OAHLLOKOSA-N 1 2 319.361 2.492 20 5 DEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184194627 402825811 /nfs/dbraw/zinc/82/58/11/402825811.db2.gz CEHGWOJGTTWWOH-UHFFFAOYSA-N 1 2 322.340 2.498 20 5 DEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184194627 402825812 /nfs/dbraw/zinc/82/58/12/402825812.db2.gz CEHGWOJGTTWWOH-UHFFFAOYSA-N 1 2 322.340 2.498 20 5 DEBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272580664 402955994 /nfs/dbraw/zinc/95/59/94/402955994.db2.gz YBPNIEFUCZGGSE-LSDHHAIUSA-N 1 2 316.361 2.186 20 5 DEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)C(F)(F)F ZINC000282378645 403148318 /nfs/dbraw/zinc/14/83/18/403148318.db2.gz COQBRQYTCLBYNR-NSHDSACASA-N 1 2 310.247 2.479 20 5 DEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)C(F)(F)F ZINC000282378645 403148319 /nfs/dbraw/zinc/14/83/19/403148319.db2.gz COQBRQYTCLBYNR-NSHDSACASA-N 1 2 310.247 2.479 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000284010269 403238450 /nfs/dbraw/zinc/23/84/50/403238450.db2.gz HFPIXYKMGFIVCX-LBPRGKRZSA-N 1 2 321.289 2.309 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2[nH+]ccn2C)c1F ZINC000283767118 403222156 /nfs/dbraw/zinc/22/21/56/403222156.db2.gz AEBPETRTCYXRFL-UHFFFAOYSA-N 1 2 306.297 2.048 20 5 DEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271154448 403270059 /nfs/dbraw/zinc/27/00/59/403270059.db2.gz GSEDUCDIEYZBFS-SNVBAGLBSA-N 1 2 316.321 2.124 20 5 DEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000339094850 403352815 /nfs/dbraw/zinc/35/28/15/403352815.db2.gz YEIADMUXAOVTSF-NSHDSACASA-N 1 2 308.256 2.046 20 5 DEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000339094850 403352817 /nfs/dbraw/zinc/35/28/17/403352817.db2.gz YEIADMUXAOVTSF-NSHDSACASA-N 1 2 308.256 2.046 20 5 DEBDLO COCc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000298039945 403308544 /nfs/dbraw/zinc/30/85/44/403308544.db2.gz HCWYVDTUYRRGDX-UHFFFAOYSA-N 1 2 305.334 2.404 20 5 DEBDLO COCc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000298039945 403308547 /nfs/dbraw/zinc/30/85/47/403308547.db2.gz HCWYVDTUYRRGDX-UHFFFAOYSA-N 1 2 305.334 2.404 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000339012450 403319888 /nfs/dbraw/zinc/31/98/88/403319888.db2.gz ZWPSUBVSCMIASF-OAHLLOKOSA-N 1 2 322.361 2.070 20 5 DEBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000331280924 403368457 /nfs/dbraw/zinc/36/84/57/403368457.db2.gz ULJBTLNTYKGPTQ-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000331280924 403368459 /nfs/dbraw/zinc/36/84/59/403368459.db2.gz ULJBTLNTYKGPTQ-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000298727215 403448949 /nfs/dbraw/zinc/44/89/49/403448949.db2.gz QXJLAYQFNFBMKO-LLVKDONJSA-N 1 2 303.322 2.310 20 5 DEBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CCO1 ZINC000343098891 403461789 /nfs/dbraw/zinc/46/17/89/403461789.db2.gz MNGRHBSYEIVLTI-AWEZNQCLSA-N 1 2 321.377 2.320 20 5 DEBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CCO1 ZINC000343098891 403461793 /nfs/dbraw/zinc/46/17/93/403461793.db2.gz MNGRHBSYEIVLTI-AWEZNQCLSA-N 1 2 321.377 2.320 20 5 DEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC000286272463 403486703 /nfs/dbraw/zinc/48/67/03/403486703.db2.gz HLBYJBJRSVZZMK-YPMHNXCESA-N 1 2 309.341 2.033 20 5 DEBDLO CCc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1[N+](=O)[O-] ZINC000293494495 403487478 /nfs/dbraw/zinc/48/74/78/403487478.db2.gz YKFCGQWHYZDCLB-UHFFFAOYSA-N 1 2 315.329 2.491 20 5 DEBDLO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293988476 403616744 /nfs/dbraw/zinc/61/67/44/403616744.db2.gz SFONZKDNTKKSJB-UHFFFAOYSA-N 1 2 321.377 2.296 20 5 DEBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2CC2CC2)cc1[N+](=O)[O-] ZINC000343691023 403694305 /nfs/dbraw/zinc/69/43/05/403694305.db2.gz NRORRIRDINWUJX-NSHDSACASA-N 1 2 316.365 2.151 20 5 DEBDLO Nc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000302780386 403725065 /nfs/dbraw/zinc/72/50/65/403725065.db2.gz RIEPBCLBADRXMM-UHFFFAOYSA-N 1 2 324.138 2.342 20 5 DEBDLO CCn1cc[nH+]c1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000295086131 403754355 /nfs/dbraw/zinc/75/43/55/403754355.db2.gz YLZQKHHBVVKELZ-UHFFFAOYSA-N 1 2 315.333 2.308 20 5 DEBDLO Cc1c(NC(=O)N2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000289406039 403947371 /nfs/dbraw/zinc/94/73/71/403947371.db2.gz AYGQFDIAKIPULV-UHFFFAOYSA-N 1 2 301.306 2.147 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347998296 404002910 /nfs/dbraw/zinc/00/29/10/404002910.db2.gz GABVWBCLKNDOCV-GHMZBOCLSA-N 1 2 320.324 2.239 20 5 DEBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407655 404349356 /nfs/dbraw/zinc/34/93/56/404349356.db2.gz RJLWIWCFPOLLNU-LLVKDONJSA-N 1 2 318.320 2.091 20 5 DEBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407655 404349362 /nfs/dbraw/zinc/34/93/62/404349362.db2.gz RJLWIWCFPOLLNU-LLVKDONJSA-N 1 2 318.320 2.091 20 5 DEBDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341992334 404300978 /nfs/dbraw/zinc/30/09/78/404300978.db2.gz HZSNIXGCXODFES-VIFPVBQESA-N 1 2 308.313 2.327 20 5 DEBDLO CN1C[C@@H]2[C@H](CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000345047541 404516861 /nfs/dbraw/zinc/51/68/61/404516861.db2.gz YDUALXCYYMNRKU-IINYFYTJSA-N 1 2 323.780 2.301 20 5 DEBDLO CN1C[C@@H]2[C@H](CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000345047541 404516868 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DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378409225 404957001 /nfs/dbraw/zinc/95/70/01/404957001.db2.gz LNCVSRUJHPITIT-CYBMUJFWSA-N 1 2 300.318 2.224 20 5 DEBDLO Cc1c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000378261955 404911243 /nfs/dbraw/zinc/91/12/43/404911243.db2.gz CTQQGVMFAVWIRZ-GFCCVEGCSA-N 1 2 314.345 2.266 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000378481814 404978747 /nfs/dbraw/zinc/97/87/47/404978747.db2.gz BPEJZYWICPZPNJ-UONOGXRCSA-N 1 2 302.334 2.188 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000378481814 404978754 /nfs/dbraw/zinc/97/87/54/404978754.db2.gz BPEJZYWICPZPNJ-UONOGXRCSA-N 1 2 302.334 2.188 20 5 DEBDLO Cn1cnc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417314434 405085604 /nfs/dbraw/zinc/08/56/04/405085604.db2.gz YZPQZOIWTAHZMW-CQSZACIVSA-N 1 2 301.350 2.281 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000446485488 405383136 /nfs/dbraw/zinc/38/31/36/405383136.db2.gz PXOUSKANHRQBPW-NSHDSACASA-N 1 2 315.333 2.236 20 5 DEBDLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420934845 405409704 /nfs/dbraw/zinc/40/97/04/405409704.db2.gz HJUDZHIESXJRRT-ZJUUUORDSA-N 1 2 300.305 2.323 20 5 DEBDLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420934845 405409706 /nfs/dbraw/zinc/40/97/06/405409706.db2.gz HJUDZHIESXJRRT-ZJUUUORDSA-N 1 2 300.305 2.323 20 5 DEBDLO Cc1nc(N2CC[C@H](CNc3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000450302193 405825108 /nfs/dbraw/zinc/82/51/08/405825108.db2.gz VSLNZLSKCBADLC-GFCCVEGCSA-N 1 2 314.349 2.027 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000525168440 406471147 /nfs/dbraw/zinc/47/11/47/406471147.db2.gz PIWUOFVEEKWFMB-UHFFFAOYSA-N 1 2 302.334 2.310 20 5 DEBDLO COCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490085550 406451580 /nfs/dbraw/zinc/45/15/80/406451580.db2.gz HMHYOVTVJQOOTO-NSHDSACASA-N 1 2 314.769 2.486 20 5 DEBDLO COCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490085550 406451583 /nfs/dbraw/zinc/45/15/83/406451583.db2.gz HMHYOVTVJQOOTO-NSHDSACASA-N 1 2 314.769 2.486 20 5 DEBDLO O=C1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000413170229 228286367 /nfs/dbraw/zinc/28/63/67/228286367.db2.gz LWMOQGLUQOULDZ-NSHDSACASA-N 1 2 312.329 2.318 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000413196477 228289489 /nfs/dbraw/zinc/28/94/89/228289489.db2.gz DZLWHXKHQSLNMV-JTQLQIEISA-N 1 2 303.297 2.215 20 5 DEBDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000370879369 269087894 /nfs/dbraw/zinc/08/78/94/269087894.db2.gz QYWWYLZVVRSDLI-IAQYHMDHSA-N 1 2 316.361 2.152 20 5 DEBDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000370879369 269087896 /nfs/dbraw/zinc/08/78/96/269087896.db2.gz QYWWYLZVVRSDLI-IAQYHMDHSA-N 1 2 316.361 2.152 20 5 DEBDLO Cc1occc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000414457892 294051116 /nfs/dbraw/zinc/05/11/16/294051116.db2.gz JNLIJJUKFAIOBK-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000338269871 304804294 /nfs/dbraw/zinc/80/42/94/304804294.db2.gz CCIXGMROLFMPDO-CFVMTHIKSA-N 1 2 304.346 2.348 20 5 DEBDLO C[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CO1 ZINC000575987912 326261240 /nfs/dbraw/zinc/26/12/40/326261240.db2.gz RHRVYCUPOOMIKF-UXIGCNINSA-N 1 2 316.361 2.185 20 5 DEBDLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000576276351 326281846 /nfs/dbraw/zinc/28/18/46/326281846.db2.gz HBGCHZAMSNZZEM-QWHCGFSZSA-N 1 2 321.377 2.421 20 5 DEBDLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000576276351 326281848 /nfs/dbraw/zinc/28/18/48/326281848.db2.gz HBGCHZAMSNZZEM-QWHCGFSZSA-N 1 2 321.377 2.421 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000156098112 522979471 /nfs/dbraw/zinc/97/94/71/522979471.db2.gz MZLKYLFVVMKDFX-UHFFFAOYSA-N 1 2 319.321 2.012 20 5 DEBDLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157600451 522991076 /nfs/dbraw/zinc/99/10/76/522991076.db2.gz SZKMVYNPMJHTOZ-UHFFFAOYSA-N 1 2 320.374 2.164 20 5 DEBDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157600451 522991090 /nfs/dbraw/zinc/99/10/90/522991090.db2.gz SZKMVYNPMJHTOZ-UHFFFAOYSA-N 1 2 320.374 2.164 20 5 DEBDLO CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247415878 523436372 /nfs/dbraw/zinc/43/63/72/523436372.db2.gz DAODHWVQGRWIOW-IUODEOHRSA-N 1 2 321.377 2.057 20 5 DEBDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247415878 523436379 /nfs/dbraw/zinc/43/63/79/523436379.db2.gz DAODHWVQGRWIOW-IUODEOHRSA-N 1 2 321.377 2.057 20 5 DEBDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000246001753 525061889 /nfs/dbraw/zinc/06/18/89/525061889.db2.gz DVTMRYMVNCOKSQ-RISCZKNCSA-N 1 2 321.402 2.137 20 5 DEBDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000246001753 525061901 /nfs/dbraw/zinc/06/19/01/525061901.db2.gz DVTMRYMVNCOKSQ-RISCZKNCSA-N 1 2 321.402 2.137 20 5 DEBDLO CC(=O)N1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413189870 526669187 /nfs/dbraw/zinc/66/91/87/526669187.db2.gz JDLBRHFTKIXULE-LBPRGKRZSA-N 1 2 300.318 2.176 20 5 DEBDLO CC[N@@H+]1CCO[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000417282522 527741405 /nfs/dbraw/zinc/74/14/05/527741405.db2.gz PSZNKLOHMRMCPM-LBPRGKRZSA-N 1 2 304.306 2.038 20 5 DEBDLO CC[N@H+]1CCO[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000417282522 527741411 /nfs/dbraw/zinc/74/14/11/527741411.db2.gz PSZNKLOHMRMCPM-LBPRGKRZSA-N 1 2 304.306 2.038 20 5 DEBDLO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000444636221 528936272 /nfs/dbraw/zinc/93/62/72/528936272.db2.gz MRPRWISYMSFSTB-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000444636221 528936282 /nfs/dbraw/zinc/93/62/82/528936282.db2.gz MRPRWISYMSFSTB-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000377258819 535353503 /nfs/dbraw/zinc/35/35/03/535353503.db2.gz UDUIGXMORMIDOF-UHFFFAOYSA-N 1 2 307.350 2.034 20 5 DEBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000377258819 535353506 /nfs/dbraw/zinc/35/35/06/535353506.db2.gz UDUIGXMORMIDOF-UHFFFAOYSA-N 1 2 307.350 2.034 20 5 DEBDLO CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000317638539 535809818 /nfs/dbraw/zinc/80/98/18/535809818.db2.gz WNFXXKMNZQOKPC-SNVBAGLBSA-N 1 2 324.362 2.285 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000837328097 650185754 /nfs/dbraw/zinc/18/57/54/650185754.db2.gz FSPXDAXQBASNMA-UHFFFAOYSA-N 1 2 321.358 2.206 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000837683336 650247174 /nfs/dbraw/zinc/24/71/74/650247174.db2.gz ZSDDGHWCEPSIFZ-UHFFFAOYSA-N 1 2 323.736 2.310 20 5 DEBDLO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245948 637846746 /nfs/dbraw/zinc/84/67/46/637846746.db2.gz KDVFHNJYWREKHV-YGRLFVJLSA-N 1 2 312.801 2.294 20 5 DEBDLO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895245948 637846750 /nfs/dbraw/zinc/84/67/50/637846750.db2.gz KDVFHNJYWREKHV-YGRLFVJLSA-N 1 2 312.801 2.294 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000895798441 638204053 /nfs/dbraw/zinc/20/40/53/638204053.db2.gz FYMULIBGWOZOKQ-UHFFFAOYSA-N 1 2 302.334 2.151 20 5 DEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000895801282 638205244 /nfs/dbraw/zinc/20/52/44/638205244.db2.gz GNXCJXKYRYCNOU-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000895802142 638205454 /nfs/dbraw/zinc/20/54/54/638205454.db2.gz YXIGNSFNOGODTM-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000895843632 638221296 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DEBDLO Cc1nn(C[NH+]2CCC3(CC3(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000844724784 651161073 /nfs/dbraw/zinc/16/10/73/651161073.db2.gz DSRKPQDMPMGQAH-UHFFFAOYSA-N 1 2 300.309 2.487 20 5 DEBDLO CN1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1=O ZINC000846922746 651362095 /nfs/dbraw/zinc/36/20/95/651362095.db2.gz MLGXUPTUBLXMFH-GFCCVEGCSA-N 1 2 311.769 2.301 20 5 DEBDLO CN1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1=O ZINC000846922746 651362097 /nfs/dbraw/zinc/36/20/97/651362097.db2.gz MLGXUPTUBLXMFH-GFCCVEGCSA-N 1 2 311.769 2.301 20 5 DEBDLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000847059517 651372581 /nfs/dbraw/zinc/37/25/81/651372581.db2.gz WINIGBNEBHVVPM-NOZJJQNGSA-N 1 2 306.322 2.013 20 5 DEBDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000847059517 651372582 /nfs/dbraw/zinc/37/25/82/651372582.db2.gz WINIGBNEBHVVPM-NOZJJQNGSA-N 1 2 306.322 2.013 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000857982545 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317.345 2.126 20 5 DEBDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930556385 694189051 /nfs/dbraw/zinc/18/90/51/694189051.db2.gz MEEFTMLEMGHSNQ-JTQLQIEISA-N 1 2 301.749 2.266 20 5 DEBDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC[N+](=O)[O-] ZINC000930556385 694189053 /nfs/dbraw/zinc/18/90/53/694189053.db2.gz MEEFTMLEMGHSNQ-JTQLQIEISA-N 1 2 301.749 2.266 20 5 DEBDLO CCn1nc(C)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873132441 689166112 /nfs/dbraw/zinc/16/61/12/689166112.db2.gz UDBVOZYGQGWSGQ-UHFFFAOYSA-N 1 2 303.366 2.421 20 5 DEBDLO O=C1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCCCCN1 ZINC000877685535 690190515 /nfs/dbraw/zinc/19/05/15/690190515.db2.gz CGAYAWVXWYJQJD-UHFFFAOYSA-N 1 2 321.377 2.183 20 5 DEBDLO O=C1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCCCCN1 ZINC000877685535 690190517 /nfs/dbraw/zinc/19/05/17/690190517.db2.gz CGAYAWVXWYJQJD-UHFFFAOYSA-N 1 2 321.377 2.183 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686852 692161321 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DEBDLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170316958 786905779 /nfs/dbraw/zinc/90/57/79/786905779.db2.gz ATTZRSYATAAMBM-FZMZJTMJSA-N 1 2 324.377 2.466 20 5 DEBDLO COc1ccc(C[C@@H](C)[NH+]2CC3(C2)CCCO3)c([N+](=O)[O-])c1 ZINC001170335968 786914308 /nfs/dbraw/zinc/91/43/08/786914308.db2.gz SIFKZLVCFHBBTQ-GFCCVEGCSA-N 1 2 306.362 2.399 20 5 DEBDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001154713394 797595769 /nfs/dbraw/zinc/59/57/69/797595769.db2.gz LITOYRXNECWSEM-WDEREUQCSA-N 1 2 302.334 2.374 20 5 DEBDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001154713394 797595772 /nfs/dbraw/zinc/59/57/72/797595772.db2.gz LITOYRXNECWSEM-WDEREUQCSA-N 1 2 302.334 2.374 20 5 DEBDLO Cc1ccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001156891224 798102868 /nfs/dbraw/zinc/10/28/68/798102868.db2.gz DCMUJFNIHZNSSX-UHFFFAOYSA-N 1 2 314.345 2.435 20 5 DEBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 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HVEWCDNQEUROTN-UHFFFAOYSA-N 1 2 308.382 2.026 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001475926699 1061057836 /nfs/dbraw/zinc/05/78/36/1061057836.db2.gz WEQCNUDITJSAPH-JTQLQIEISA-N 1 2 319.321 2.010 20 5 DEBDLO Cc1cc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001617439506 1078143835 /nfs/dbraw/zinc/14/38/35/1078143835.db2.gz BNRBWURLMRPJFT-UHFFFAOYSA-N 1 2 313.313 2.322 20 5 DEBDLO O=C(NC/C=C\Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001627375290 1078274984 /nfs/dbraw/zinc/27/49/84/1078274984.db2.gz ZDNGIRWCGSPOLZ-RJRFIUFISA-N 1 2 306.709 2.263 20 5 DEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001634635150 1078434312 /nfs/dbraw/zinc/43/43/12/1078434312.db2.gz RFBWNINGAHBBED-JTQLQIEISA-N 1 2 302.334 2.355 20 5 DEBDLO Cc1cccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC001635850853 1078460497 /nfs/dbraw/zinc/46/04/97/1078460497.db2.gz SBYDDVOVODJRGC-UHFFFAOYSA-N 1 2 314.345 2.435 20 5 DEBDLO Cc1nc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])[nH]c1C ZINC001620575030 1067453784 /nfs/dbraw/zinc/45/37/84/1067453784.db2.gz IDUGONLVDCRHQF-ZDUSSCGKSA-N 1 2 318.381 2.277 20 5 DEBDLO Cc1nc([C@@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])[nH]c1C ZINC001620575030 1067453787 /nfs/dbraw/zinc/45/37/87/1067453787.db2.gz IDUGONLVDCRHQF-ZDUSSCGKSA-N 1 2 318.381 2.277 20 5 DEBDLO Cc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1 ZINC001639295670 1078605874 /nfs/dbraw/zinc/60/58/74/1078605874.db2.gz COHJEISNMOVJLR-UHFFFAOYSA-N 1 2 314.345 2.435 20 5 DEBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001644390863 1078844327 /nfs/dbraw/zinc/84/43/27/1078844327.db2.gz NMONXNVTGDPUTK-SECBINFHSA-N 1 2 305.294 2.087 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001647824456 1074982539 /nfs/dbraw/zinc/98/25/39/1074982539.db2.gz FTKXHRFSEXBFJF-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001647824456 1074982541 /nfs/dbraw/zinc/98/25/41/1074982541.db2.gz FTKXHRFSEXBFJF-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001648641723 1075004197 /nfs/dbraw/zinc/00/41/97/1075004197.db2.gz JNLNJYWBXQVJCT-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001648641723 1075004200 /nfs/dbraw/zinc/00/42/00/1075004200.db2.gz JNLNJYWBXQVJCT-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001557693707 1075071649 /nfs/dbraw/zinc/07/16/49/1075071649.db2.gz SELOQKODNKSYDV-LLVKDONJSA-N 1 2 306.709 2.320 20 5 DEBDLO O=C(NCCNc1cccc[nH+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001558905822 1075109034 /nfs/dbraw/zinc/10/90/34/1075109034.db2.gz XPMZTXMXWRRVIF-UHFFFAOYSA-N 1 2 320.736 2.485 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)nc1 ZINC001559265669 1075117216 /nfs/dbraw/zinc/11/72/16/1075117216.db2.gz XBBCBOJNMLJPAW-AWEZNQCLSA-N 1 2 310.317 2.435 20 5 DEBDLO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1noc(C)n1 ZINC001559736554 1075127766 /nfs/dbraw/zinc/12/77/66/1075127766.db2.gz OAMMEAUZQIWREL-OLZOCXBDSA-N 1 2 306.322 2.061 20 5 DEBDLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001587810804 1076427650 /nfs/dbraw/zinc/42/76/50/1076427650.db2.gz GOWWWCVECPBQLR-UONOGXRCSA-N 1 2 314.345 2.355 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC001597251546 1077091278 /nfs/dbraw/zinc/09/12/78/1077091278.db2.gz WXPBZWHIZSEATM-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH+]1 ZINC001597251546 1077091283 /nfs/dbraw/zinc/09/12/83/1077091283.db2.gz WXPBZWHIZSEATM-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO Cc1c[nH+]c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)ccn12 ZINC001128453805 1085795276 /nfs/dbraw/zinc/79/52/76/1085795276.db2.gz GLTVMNIKCWRDCR-UHFFFAOYSA-N 1 2 311.301 2.223 20 5 DEBDLO O=[N+]([O-])c1nc[nH]c1-c1nc2cc(-n3cc[nH+]c3)c(F)cc2[nH]1 ZINC001251168517 1142390964 /nfs/dbraw/zinc/39/09/64/1142390964.db2.gz JBWBPFFBHTVENO-UHFFFAOYSA-N 1 2 313.252 2.186 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1(CO)CCCC1)C2 ZINC001336769794 1142567254 /nfs/dbraw/zinc/56/72/54/1142567254.db2.gz DJLHLAKMPZYFNX-INIZCTEOSA-N 1 2 320.389 2.214 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1(CO)CCCC1)C2 ZINC001336769794 1142567265 /nfs/dbraw/zinc/56/72/65/1142567265.db2.gz DJLHLAKMPZYFNX-INIZCTEOSA-N 1 2 320.389 2.214 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001301532569 1147293061 /nfs/dbraw/zinc/29/30/61/1147293061.db2.gz VUSAVUURNJIJGC-SNVBAGLBSA-N 1 2 311.301 2.147 20 5 DEBDLO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000279659512 215038407 /nfs/dbraw/zinc/03/84/07/215038407.db2.gz CMFHNKNQOUCJPT-LLVKDONJSA-N 1 2 300.742 2.332 20 5 DEBDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000173336264 186177898 /nfs/dbraw/zinc/17/78/98/186177898.db2.gz WJCBIVLEKNHADX-NSHDSACASA-N 1 2 301.350 2.373 20 5 DEBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182114308 199388097 /nfs/dbraw/zinc/38/80/97/199388097.db2.gz IQJIHFPLBMPMKS-CYBMUJFWSA-N 1 2 311.769 2.349 20 5 DEBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182114308 199388098 /nfs/dbraw/zinc/38/80/98/199388098.db2.gz IQJIHFPLBMPMKS-CYBMUJFWSA-N 1 2 311.769 2.349 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030587549 354126567 /nfs/dbraw/zinc/12/65/67/354126567.db2.gz ROIGABVCGPVFDE-UHFFFAOYSA-N 1 2 312.333 2.185 20 5 DEBDLO Cc1cccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000046387493 354281686 /nfs/dbraw/zinc/28/16/86/354281686.db2.gz UXBPHMCEGBZDIE-UHFFFAOYSA-N 1 2 314.345 2.294 20 5 DEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595565687 358487398 /nfs/dbraw/zinc/48/73/98/358487398.db2.gz JQMONIXTOQTVIQ-FZMZJTMJSA-N 1 2 319.361 2.416 20 5 DEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595565687 358487402 /nfs/dbraw/zinc/48/74/02/358487402.db2.gz JQMONIXTOQTVIQ-FZMZJTMJSA-N 1 2 319.361 2.416 20 5 DEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000057839682 354581474 /nfs/dbraw/zinc/58/14/74/354581474.db2.gz YSVDYHKERVCKSH-UHFFFAOYSA-N 1 2 315.255 2.385 20 5 DEBDLO Cc1cccc2[nH+]c(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cn21 ZINC000068569243 354821309 /nfs/dbraw/zinc/82/13/09/354821309.db2.gz PIDWWPQLNOUDMX-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555886 355093302 /nfs/dbraw/zinc/09/33/02/355093302.db2.gz QHDBSZXPAJSOMV-LBPRGKRZSA-N 1 2 300.318 2.338 20 5 DEBDLO COc1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)c([N+](=O)[O-])c1 ZINC000077165323 355184907 /nfs/dbraw/zinc/18/49/07/355184907.db2.gz PPISGAXBYPXDNK-UHFFFAOYSA-N 1 2 313.273 2.371 20 5 DEBDLO Cc1noc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091832161 355609575 /nfs/dbraw/zinc/60/95/75/355609575.db2.gz NRLQHIRECBWREA-NSHDSACASA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091832161 355609576 /nfs/dbraw/zinc/60/95/76/355609576.db2.gz NRLQHIRECBWREA-NSHDSACASA-N 1 2 318.333 2.371 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413513228 283176005 /nfs/dbraw/zinc/17/60/05/283176005.db2.gz KZSCELDIVLVSIP-GFCCVEGCSA-N 1 2 314.345 2.058 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000581828063 357252550 /nfs/dbraw/zinc/25/25/50/357252550.db2.gz NOSASWDWXMKHJJ-LLVKDONJSA-N 1 2 318.333 2.067 20 5 DEBDLO CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593056835 357997018 /nfs/dbraw/zinc/99/70/18/357997018.db2.gz AVABGRCMMHLTAI-KBPBESRZSA-N 1 2 321.377 2.083 20 5 DEBDLO CC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593056835 357997022 /nfs/dbraw/zinc/99/70/22/357997022.db2.gz AVABGRCMMHLTAI-KBPBESRZSA-N 1 2 321.377 2.083 20 5 DEBDLO CC(C)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000276710999 213059258 /nfs/dbraw/zinc/05/92/58/213059258.db2.gz ZORBXEDFMMYZFD-CQSZACIVSA-N 1 2 318.333 2.210 20 5 DEBDLO CC[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000593611527 358111154 /nfs/dbraw/zinc/11/11/54/358111154.db2.gz BADANINODZGQRF-NSHDSACASA-N 1 2 306.297 2.267 20 5 DEBDLO C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000594421076 358264032 /nfs/dbraw/zinc/26/40/32/358264032.db2.gz JHRXJCXPGJWGQP-SNVBAGLBSA-N 1 2 316.317 2.158 20 5 DEBDLO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594419242 358264364 /nfs/dbraw/zinc/26/43/64/358264364.db2.gz PWVWHLHVPXXQHQ-STQMWFEESA-N 1 2 319.361 2.047 20 5 DEBDLO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594419242 358264367 /nfs/dbraw/zinc/26/43/67/358264367.db2.gz PWVWHLHVPXXQHQ-STQMWFEESA-N 1 2 319.361 2.047 20 5 DEBDLO Cc1noc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595340770 358426036 /nfs/dbraw/zinc/42/60/36/358426036.db2.gz GZEXIXBCCWUAPN-AWEZNQCLSA-N 1 2 317.345 2.373 20 5 DEBDLO Cc1noc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595340770 358426038 /nfs/dbraw/zinc/42/60/38/358426038.db2.gz GZEXIXBCCWUAPN-AWEZNQCLSA-N 1 2 317.345 2.373 20 5 DEBDLO COc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000596102486 358611079 /nfs/dbraw/zinc/61/10/79/358611079.db2.gz UJDCLKBMLJNPIU-GFCCVEGCSA-N 1 2 309.366 2.044 20 5 DEBDLO COc1cc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000596102486 358611080 /nfs/dbraw/zinc/61/10/80/358611080.db2.gz UJDCLKBMLJNPIU-GFCCVEGCSA-N 1 2 309.366 2.044 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596426501 358684038 /nfs/dbraw/zinc/68/40/38/358684038.db2.gz BBHRXVSDAQWRCK-VHSXEESVSA-N 1 2 315.320 2.394 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596426501 358684041 /nfs/dbraw/zinc/68/40/41/358684041.db2.gz BBHRXVSDAQWRCK-VHSXEESVSA-N 1 2 315.320 2.394 20 5 DEBDLO COc1cccc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596432758 358685808 /nfs/dbraw/zinc/68/58/08/358685808.db2.gz SLCWJCCCCSBRFQ-NWDGAFQWSA-N 1 2 309.366 2.125 20 5 DEBDLO COc1cccc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596432758 358685811 /nfs/dbraw/zinc/68/58/11/358685811.db2.gz SLCWJCCCCSBRFQ-NWDGAFQWSA-N 1 2 309.366 2.125 20 5 DEBDLO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1cccnc1 ZINC000596594409 358720856 /nfs/dbraw/zinc/72/08/56/358720856.db2.gz UNYSREDSZBIKST-AWEZNQCLSA-N 1 2 301.350 2.269 20 5 DEBDLO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1cccnc1 ZINC000596594409 358720859 /nfs/dbraw/zinc/72/08/59/358720859.db2.gz UNYSREDSZBIKST-AWEZNQCLSA-N 1 2 301.350 2.269 20 5 DEBDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597858956 359023830 /nfs/dbraw/zinc/02/38/30/359023830.db2.gz XKPOQCYGCMELIX-UHFFFAOYSA-N 1 2 320.324 2.393 20 5 DEBDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597858956 359023833 /nfs/dbraw/zinc/02/38/33/359023833.db2.gz XKPOQCYGCMELIX-UHFFFAOYSA-N 1 2 320.324 2.393 20 5 DEBDLO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459794 359206792 /nfs/dbraw/zinc/20/67/92/359206792.db2.gz MYEFTUMJJFKIJH-JTQLQIEISA-N 1 2 320.374 2.298 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1cc(CO)cc[nH+]1 ZINC000603430854 360830722 /nfs/dbraw/zinc/83/07/22/360830722.db2.gz DHMSTXIZVHRVGX-UHFFFAOYSA-N 1 2 303.318 2.493 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000603937086 360875173 /nfs/dbraw/zinc/87/51/73/360875173.db2.gz GYKNOYPZWDAQOT-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000449962032 241302399 /nfs/dbraw/zinc/30/23/99/241302399.db2.gz XFMNWNDBBFQZAN-UHFFFAOYSA-N 1 2 300.318 2.405 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000267637449 206187544 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292053371 /nfs/dbraw/zinc/05/33/71/292053371.db2.gz LITOYRXNECWSEM-MNOVXSKESA-N 1 2 302.334 2.374 20 5 DEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCCOCC2)c1 ZINC000374301710 148227895 /nfs/dbraw/zinc/22/78/95/148227895.db2.gz KQLJLZGURXENDG-UHFFFAOYSA-N 1 2 302.277 2.419 20 5 DEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCOCC2)c1 ZINC000374301710 148227896 /nfs/dbraw/zinc/22/78/96/148227896.db2.gz KQLJLZGURXENDG-UHFFFAOYSA-N 1 2 302.277 2.419 20 5 DEBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149310 401841900 /nfs/dbraw/zinc/84/19/00/401841900.db2.gz AZQSXFFYYQWSFV-UHFFFAOYSA-N 1 2 308.297 2.445 20 5 DEBDLO C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046599135 401971209 /nfs/dbraw/zinc/97/12/09/401971209.db2.gz XIJDLCYQKRRYFE-ZDUSSCGKSA-N 1 2 305.378 2.285 20 5 DEBDLO C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046599135 401971212 /nfs/dbraw/zinc/97/12/12/401971212.db2.gz XIJDLCYQKRRYFE-ZDUSSCGKSA-N 1 2 305.378 2.285 20 5 DEBDLO Cc1cccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000153496226 402148866 /nfs/dbraw/zinc/14/88/66/402148866.db2.gz VZBBACNBIBVQLR-LLVKDONJSA-N 1 2 302.334 2.166 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478073 402199874 /nfs/dbraw/zinc/19/98/74/402199874.db2.gz DIIWIRLAOVFFQX-RYUDHWBXSA-N 1 2 321.377 2.421 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478073 402199875 /nfs/dbraw/zinc/19/98/75/402199875.db2.gz DIIWIRLAOVFFQX-RYUDHWBXSA-N 1 2 321.377 2.421 20 5 DEBDLO Cc1cccc2[nH+]c(CNC(=O)Cc3ccccc3[N+](=O)[O-])cn21 ZINC000068570447 402202797 /nfs/dbraw/zinc/20/27/97/402202797.db2.gz FCVURXCIKIKBHL-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C[NH+](C)C ZINC000184813845 402301276 /nfs/dbraw/zinc/30/12/76/402301276.db2.gz YSTHUDLCHZHGSN-SNVBAGLBSA-N 1 2 309.366 2.007 20 5 DEBDLO COCC[NH+](CCOC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163275164 402445530 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DEBDLO Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000175314720 402796262 /nfs/dbraw/zinc/79/62/62/402796262.db2.gz NKKHAQJXIZHDCI-UHFFFAOYSA-N 1 2 319.342 2.050 20 5 DEBDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279300710 402928579 /nfs/dbraw/zinc/92/85/79/402928579.db2.gz MBODRHHCRZBYEL-OAHLLOKOSA-N 1 2 307.350 2.034 20 5 DEBDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279300710 402928581 /nfs/dbraw/zinc/92/85/81/402928581.db2.gz MBODRHHCRZBYEL-OAHLLOKOSA-N 1 2 307.350 2.034 20 5 DEBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn(C)c1 ZINC000273388810 403000432 /nfs/dbraw/zinc/00/04/32/403000432.db2.gz OIEQNEDCNNESCF-VIFPVBQESA-N 1 2 301.306 2.320 20 5 DEBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274459960 403057654 /nfs/dbraw/zinc/05/76/54/403057654.db2.gz MGIBNQPWYPCBFG-ZRNGKTOUSA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274459960 403057655 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CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103472446 521182587 /nfs/dbraw/zinc/18/25/87/521182587.db2.gz CVACMZHVFZMUNV-LLVKDONJSA-N 1 2 309.341 2.225 20 5 DEBDLO CC[C@H]1C[N@H+](CCNc2cc(OC)ccc2[N+](=O)[O-])CCO1 ZINC000338709890 523281788 /nfs/dbraw/zinc/28/17/88/523281788.db2.gz TWCMEHVMFRQETP-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC[C@H]1C[N@@H+](CCNc2cc(OC)ccc2[N+](=O)[O-])CCO1 ZINC000338709890 523281801 /nfs/dbraw/zinc/28/18/01/523281801.db2.gz TWCMEHVMFRQETP-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364261083 523390803 /nfs/dbraw/zinc/39/08/03/523390803.db2.gz SLEFRHKYDMWAFO-CYBMUJFWSA-N 1 2 314.345 2.012 20 5 DEBDLO C[C@H]1CSCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738286378 637412054 /nfs/dbraw/zinc/41/20/54/637412054.db2.gz ZVZOOLVTVUVNQC-NSHDSACASA-N 1 2 319.390 2.248 20 5 DEBDLO C[C@H]1CSCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738286378 637412063 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COc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000728174551 639049196 /nfs/dbraw/zinc/04/91/96/639049196.db2.gz QAVIKHGUGJHOJX-CYBMUJFWSA-N 1 2 322.361 2.331 20 5 DEBDLO COc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000728174551 639049199 /nfs/dbraw/zinc/04/91/99/639049199.db2.gz QAVIKHGUGJHOJX-CYBMUJFWSA-N 1 2 322.361 2.331 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000754684644 639460666 /nfs/dbraw/zinc/46/06/66/639460666.db2.gz IXLWZEOYXVBISJ-UHFFFAOYSA-N 1 2 301.258 2.432 20 5 DEBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000839658350 639781166 /nfs/dbraw/zinc/78/11/66/639781166.db2.gz FCLSZBUOSGQZEX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000839658350 639781169 /nfs/dbraw/zinc/78/11/69/639781169.db2.gz FCLSZBUOSGQZEX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000839658350 639781171 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DEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783745928 643045812 /nfs/dbraw/zinc/04/58/12/643045812.db2.gz XGOOYTPERCQZIE-YGRLFVJLSA-N 1 2 314.288 2.010 20 5 DEBDLO Cc1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000789792724 643777755 /nfs/dbraw/zinc/77/77/55/643777755.db2.gz YCVBGCKISUTANV-UHFFFAOYSA-N 1 2 303.318 2.426 20 5 DEBDLO Nc1cc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000791814513 644034140 /nfs/dbraw/zinc/03/41/40/644034140.db2.gz KELLUWATRIBOQH-UHFFFAOYSA-N 1 2 309.228 2.207 20 5 DEBDLO CC[NH2+]Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000843142586 650906325 /nfs/dbraw/zinc/90/63/25/650906325.db2.gz JWGWFIMGZLJGJA-UHFFFAOYSA-N 1 2 305.338 2.132 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3nnc[nH]3)CC2)c(F)c1 ZINC000795930207 644661236 /nfs/dbraw/zinc/66/12/36/644661236.db2.gz QUSNDUQWSNHVHQ-UHFFFAOYSA-N 1 2 323.303 2.371 20 5 DEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000843805797 651032669 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314.345 2.355 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)C2)c(Br)c1 ZINC000050103545 1078460435 /nfs/dbraw/zinc/46/04/35/1078460435.db2.gz UDAFSUYOVWSJND-NSHDSACASA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)C2)c(Br)c1 ZINC000050103545 1078460437 /nfs/dbraw/zinc/46/04/37/1078460437.db2.gz UDAFSUYOVWSJND-NSHDSACASA-N 1 2 315.167 2.314 20 5 DEBDLO CN(C)c1cc[nH+]c(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001637189000 1078508691 /nfs/dbraw/zinc/50/86/91/1078508691.db2.gz BGBQSCDOPFGEIO-UHFFFAOYSA-N 1 2 304.281 2.447 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001641432907 1078711428 /nfs/dbraw/zinc/71/14/28/1078711428.db2.gz BCDDXIPNKYZYAD-CYBMUJFWSA-N 1 2 311.301 2.147 20 5 DEBDLO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001521000420 1069197614 /nfs/dbraw/zinc/19/76/14/1069197614.db2.gz OOTRGQGMGZVZJF-LLVKDONJSA-N 1 2 309.366 2.151 20 5 DEBDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001558602818 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O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000353193407 404765955 /nfs/dbraw/zinc/76/59/55/404765955.db2.gz NCZDRSSVZMXNKJ-AAEUAGOBSA-N 1 2 316.304 2.064 20 5 DEBDLO CCc1noc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365817670 404726012 /nfs/dbraw/zinc/72/60/12/404726012.db2.gz CCEWYMNMBJIBFM-SNVBAGLBSA-N 1 2 320.353 2.135 20 5 DEBDLO CC(C)n1ccnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033810 404792516 /nfs/dbraw/zinc/79/25/16/404792516.db2.gz GQARYKYQQGQUTH-UHFFFAOYSA-N 1 2 318.381 2.406 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000407992871 405085358 /nfs/dbraw/zinc/08/53/58/405085358.db2.gz IRCNSOMIPPMBBS-MLGOLLRUSA-N 1 2 322.361 2.070 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000407992871 405085360 /nfs/dbraw/zinc/08/53/60/405085360.db2.gz IRCNSOMIPPMBBS-MLGOLLRUSA-N 1 2 322.361 2.070 20 5 DEBDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000361566792 405134202 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ZINC000838100477 637445815 /nfs/dbraw/zinc/44/58/15/637445815.db2.gz FGHSZNXZSHOBJD-LLVKDONJSA-N 1 2 319.317 2.098 20 5 DEBDLO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245945 637846174 /nfs/dbraw/zinc/84/61/74/637846174.db2.gz KDVFHNJYWREKHV-HZMBPMFUSA-N 1 2 312.801 2.294 20 5 DEBDLO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895245945 637846181 /nfs/dbraw/zinc/84/61/81/637846181.db2.gz KDVFHNJYWREKHV-HZMBPMFUSA-N 1 2 312.801 2.294 20 5 DEBDLO CCc1nn(C)c(NCc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000895484764 638053755 /nfs/dbraw/zinc/05/37/55/638053755.db2.gz WVOHIQQSKUKSBE-UHFFFAOYSA-N 1 2 324.410 2.021 20 5 DEBDLO COC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895849219 638231798 /nfs/dbraw/zinc/23/17/98/638231798.db2.gz USJNYNYGCZCBQX-JTQLQIEISA-N 1 2 313.741 2.179 20 5 DEBDLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895849219 638231802 /nfs/dbraw/zinc/23/18/02/638231802.db2.gz 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Cc1nnc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000839659182 639782002 /nfs/dbraw/zinc/78/20/02/639782002.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000839659182 639782008 /nfs/dbraw/zinc/78/20/08/639782008.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000839659182 639782010 /nfs/dbraw/zinc/78/20/10/639782010.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000839659182 639782015 /nfs/dbraw/zinc/78/20/15/639782015.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000839659182 639782017 /nfs/dbraw/zinc/78/20/17/639782017.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 1 2 305.313 2.150 20 5 DEBDLO CCn1cncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841828826 650573932 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CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001334048620 1150178607 /nfs/dbraw/zinc/17/86/07/1150178607.db2.gz IFLQCRCGXDYUEH-JTQLQIEISA-N 1 2 320.374 2.332 20 5 DEBDLO Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)nc1 ZINC001525849749 1070181705 /nfs/dbraw/zinc/18/17/05/1070181705.db2.gz JZYRUGJJRDWPII-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001526648300 1070327441 /nfs/dbraw/zinc/32/74/41/1070327441.db2.gz DYPMNRQALGDJKV-HNNXBMFYSA-N 1 2 317.345 2.072 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCCc2[nH+]ccn2C)cc1Cl ZINC001528939101 1070791339 /nfs/dbraw/zinc/79/13/39/1070791339.db2.gz LQKOZUAZMXAQHL-UHFFFAOYSA-N 1 2 322.752 2.263 20 5 DEBDLO CN(CCO)c1ccc(NCc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC001461310631 1058634966 /nfs/dbraw/zinc/63/49/66/1058634966.db2.gz VYAGIPNUKQYBLO-UHFFFAOYSA-N 1 2 302.334 2.030 20 5 DEBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001473770921 1060721740 /nfs/dbraw/zinc/72/17/40/1060721740.db2.gz NMONXNVTGDPUTK-VIFPVBQESA-N 1 2 305.294 2.087 20 5 DEBDLO COc1nscc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001473828084 1060735598 /nfs/dbraw/zinc/73/55/98/1060735598.db2.gz IISKEXFBFKVNTR-CYBMUJFWSA-N 1 2 323.374 2.225 20 5 DEBDLO COc1nscc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001473828084 1060735612 /nfs/dbraw/zinc/73/56/12/1060735612.db2.gz IISKEXFBFKVNTR-CYBMUJFWSA-N 1 2 323.374 2.225 20 5 DEBDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001639633955 1078621678 /nfs/dbraw/zinc/62/16/78/1078621678.db2.gz RSGAZYCBAYLDMV-LLVKDONJSA-N 1 2 302.334 2.170 20 5 DEBDLO Nc1[nH+]cccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC001639928121 1078633545 /nfs/dbraw/zinc/63/35/45/1078633545.db2.gz XDLMSCVGDAWXPL-UHFFFAOYSA-N 1 2 302.319 2.189 20 5 DEBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC001641284033 1078703995 /nfs/dbraw/zinc/70/39/95/1078703995.db2.gz RAWZMXWNCNEJTL-UHFFFAOYSA-N 1 2 306.709 2.142 20 5 DEBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001641433137 1078711231 /nfs/dbraw/zinc/71/12/31/1078711231.db2.gz JEEDLOYYOOVWRQ-NSHDSACASA-N 1 2 304.281 2.114 20 5 DEBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001641457920 1078713275 /nfs/dbraw/zinc/71/32/75/1078713275.db2.gz QAZADNZUXKGRCZ-UHFFFAOYSA-N 1 2 320.324 2.404 20 5 DEBDLO Cc1ccc2[nH+]c(CSc3ncc([N+](=O)[O-])c(N)n3)cn2c1 ZINC001651993903 1079845103 /nfs/dbraw/zinc/84/51/03/1079845103.db2.gz NUOJYALRDBBNDP-UHFFFAOYSA-N 1 2 316.346 2.215 20 5 DEBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](O)C(F)(F)F ZINC001659814901 1080252646 /nfs/dbraw/zinc/25/26/46/1080252646.db2.gz QVQKGUUEJCUANY-KBUNVGBDSA-N 1 2 319.239 2.137 20 5 DEBDLO C[N@@H+]1CC[C@H]1CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001663324228 1080732787 /nfs/dbraw/zinc/73/27/87/1080732787.db2.gz CWEGTSLDTRGPIM-VIFPVBQESA-N 1 2 314.183 2.151 20 5 DEBDLO C[N@H+]1CC[C@H]1CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001663324228 1080732793 /nfs/dbraw/zinc/73/27/93/1080732793.db2.gz CWEGTSLDTRGPIM-VIFPVBQESA-N 1 2 314.183 2.151 20 5 DEBDLO CC(C)N1CCC[C@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001324185046 1142024871 /nfs/dbraw/zinc/02/48/71/1142024871.db2.gz BTMSWTTYSJHARQ-HNNXBMFYSA-N 1 2 303.362 2.310 20 5 DEBDLO CC(C)N1CCC[C@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001324185046 1142024881 /nfs/dbraw/zinc/02/48/81/1142024881.db2.gz BTMSWTTYSJHARQ-HNNXBMFYSA-N 1 2 303.362 2.310 20 5 DEBDLO C[C@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)n1cc[nH+]c1 ZINC001254815046 1143326565 /nfs/dbraw/zinc/32/65/65/1143326565.db2.gz LBVHCPPESKNWEG-MRVPVSSYSA-N 1 2 300.278 2.033 20 5 DEBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC001342092467 1143786737 /nfs/dbraw/zinc/78/67/37/1143786737.db2.gz FXLHXDGIWUHQPY-UHFFFAOYSA-N 1 2 303.362 2.313 20 5 DEBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC001342092467 1143786742 /nfs/dbraw/zinc/78/67/42/1143786742.db2.gz FXLHXDGIWUHQPY-UHFFFAOYSA-N 1 2 303.362 2.313 20 5 DEBDLO C[NH+](C)Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)no1 ZINC001264206923 1144505734 /nfs/dbraw/zinc/50/57/34/1144505734.db2.gz DFVDZWQHLJJECW-UHFFFAOYSA-N 1 2 308.269 2.036 20 5 DEBDLO CC(C)(C)OC(=O)NCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153278303 282166684 /nfs/dbraw/zinc/16/66/84/282166684.db2.gz UVHVCWQGACNJNN-UHFFFAOYSA-N 1 2 321.377 2.478 20 5 DEBDLO CC(C)(C)OC(=O)NCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153278303 282166685 /nfs/dbraw/zinc/16/66/85/282166685.db2.gz UVHVCWQGACNJNN-UHFFFAOYSA-N 1 2 321.377 2.478 20 5 DEBDLO C[C@H]([C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000153713876 282172874 /nfs/dbraw/zinc/17/28/74/282172874.db2.gz KYDZSDQKZMUGGX-VHSXEESVSA-N 1 2 314.773 2.164 20 5 DEBDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413217222 529905074 /nfs/dbraw/zinc/90/50/74/529905074.db2.gz YBFBUCNXOXVAKI-OCCSQVGLSA-N 1 2 314.345 2.470 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000615704980 362684456 /nfs/dbraw/zinc/68/44/56/362684456.db2.gz GGAYEMWPWFZHDE-DGCLKSJQSA-N 1 2 314.345 2.231 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000617383818 363117215 /nfs/dbraw/zinc/11/72/15/363117215.db2.gz BFQXWLJHFXQTDQ-UHFFFAOYSA-N 1 2 301.302 2.289 20 5 DEBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000595521232 358472103 /nfs/dbraw/zinc/47/21/03/358472103.db2.gz YKWNKJZQUKCQIA-UHFFFAOYSA-N 1 2 302.334 2.424 20 5 DEBDLO CCOC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244688 198310057 /nfs/dbraw/zinc/31/00/57/198310057.db2.gz FCLSDLKXVPYTEB-GFCCVEGCSA-N 1 2 322.361 2.390 20 5 DEBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182114288 199388253 /nfs/dbraw/zinc/38/82/53/199388253.db2.gz IQJIHFPLBMPMKS-ZDUSSCGKSA-N 1 2 311.769 2.349 20 5 DEBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182114288 199388255 /nfs/dbraw/zinc/38/82/55/199388255.db2.gz IQJIHFPLBMPMKS-ZDUSSCGKSA-N 1 2 311.769 2.349 20 5 DEBDLO Cc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536250 358477456 /nfs/dbraw/zinc/47/74/56/358477456.db2.gz WZWSNBQZZKHPQB-QWHCGFSZSA-N 1 2 303.318 2.199 20 5 DEBDLO Cc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536250 358477458 /nfs/dbraw/zinc/47/74/58/358477458.db2.gz WZWSNBQZZKHPQB-QWHCGFSZSA-N 1 2 303.318 2.199 20 5 DEBDLO C[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000173004722 282924732 /nfs/dbraw/zinc/92/47/32/282924732.db2.gz QIICMKDMEJBLNA-UHFFFAOYSA-N 1 2 317.267 2.001 20 5 DEBDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000047259167 354311360 /nfs/dbraw/zinc/31/13/60/354311360.db2.gz DKCFHBKACMOCOG-UHFFFAOYSA-N 1 2 320.374 2.430 20 5 DEBDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000047259167 354311362 /nfs/dbraw/zinc/31/13/62/354311362.db2.gz DKCFHBKACMOCOG-UHFFFAOYSA-N 1 2 320.374 2.430 20 5 DEBDLO Cc1cc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000061801193 354632057 /nfs/dbraw/zinc/63/20/57/354632057.db2.gz DUNSFCWKNPWCPB-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000059368229 354605549 /nfs/dbraw/zinc/60/55/49/354605549.db2.gz FITJPYVXDZXUHQ-UHFFFAOYSA-N 1 2 319.283 2.358 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346409724 283049638 /nfs/dbraw/zinc/04/96/38/283049638.db2.gz PCCGBAUVVKYLSY-JTQLQIEISA-N 1 2 320.374 2.457 20 5 DEBDLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072723660 354916438 /nfs/dbraw/zinc/91/64/38/354916438.db2.gz JSEMQQPNDBSUIR-LBPRGKRZSA-N 1 2 321.377 2.159 20 5 DEBDLO CCn1cc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000072982756 354934608 /nfs/dbraw/zinc/93/46/08/354934608.db2.gz XFJMFSFAZUUHNE-UHFFFAOYSA-N 1 2 304.350 2.452 20 5 DEBDLO CCn1cc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000072982756 354934611 /nfs/dbraw/zinc/93/46/11/354934611.db2.gz XFJMFSFAZUUHNE-UHFFFAOYSA-N 1 2 304.350 2.452 20 5 DEBDLO O=C(N[C@@H]1CC[C@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360360730 283079763 /nfs/dbraw/zinc/07/97/63/283079763.db2.gz KJRUIOFZEHZEPD-NWDGAFQWSA-N 1 2 318.308 2.401 20 5 DEBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088231957 355512684 /nfs/dbraw/zinc/51/26/84/355512684.db2.gz OZCCWOBURFHTRR-UHFFFAOYSA-N 1 2 322.324 2.441 20 5 DEBDLO Cc1c(Cc2noc(Cc3c[nH+]cn3C)n2)cccc1[N+](=O)[O-] ZINC000350424926 356526804 /nfs/dbraw/zinc/52/68/04/356526804.db2.gz QNUUBPXJDVEKBT-UHFFFAOYSA-N 1 2 313.317 2.201 20 5 DEBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451404388 291110799 /nfs/dbraw/zinc/11/07/99/291110799.db2.gz GFHHZGCQKRAYGE-DTWKUNHWSA-N 1 2 306.288 2.491 20 5 DEBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451404388 291110802 /nfs/dbraw/zinc/11/08/02/291110802.db2.gz GFHHZGCQKRAYGE-DTWKUNHWSA-N 1 2 306.288 2.491 20 5 DEBDLO CCOc1cc(C[N@H+](C)Cc2cnccn2)ccc1[N+](=O)[O-] ZINC000276914542 213172933 /nfs/dbraw/zinc/17/29/33/213172933.db2.gz OAFDJTTYCFHBSB-UHFFFAOYSA-N 1 2 302.334 2.416 20 5 DEBDLO CCOc1cc(C[N@@H+](C)Cc2cnccn2)ccc1[N+](=O)[O-] ZINC000276914542 213172935 /nfs/dbraw/zinc/17/29/35/213172935.db2.gz OAFDJTTYCFHBSB-UHFFFAOYSA-N 1 2 302.334 2.416 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](CCO)C2)c(F)c1 ZINC000586763280 357366063 /nfs/dbraw/zinc/36/60/63/357366063.db2.gz QKDQKAWFWSWPPH-JTQLQIEISA-N 1 2 300.305 2.467 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](CCO)C2)c(F)c1 ZINC000586763280 357366064 /nfs/dbraw/zinc/36/60/64/357366064.db2.gz QKDQKAWFWSWPPH-JTQLQIEISA-N 1 2 300.305 2.467 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000586986112 357379198 /nfs/dbraw/zinc/37/91/98/357379198.db2.gz CLIIKMGEAKYLDR-LBPRGKRZSA-N 1 2 309.341 2.035 20 5 DEBDLO COCC[C@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589737154 357493308 /nfs/dbraw/zinc/49/33/08/357493308.db2.gz DYNKIMLBUILMOB-VOKGJARPSA-N 1 2 306.362 2.345 20 5 DEBDLO COCC[C@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589737154 357493313 /nfs/dbraw/zinc/49/33/13/357493313.db2.gz DYNKIMLBUILMOB-VOKGJARPSA-N 1 2 306.362 2.345 20 5 DEBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2[nH]c[nH+]c2C1 ZINC000590551988 357556461 /nfs/dbraw/zinc/55/64/61/357556461.db2.gz BNEIZUPCGQOZSU-UHFFFAOYSA-N 1 2 306.709 2.170 20 5 DEBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590551988 357556465 /nfs/dbraw/zinc/55/64/65/357556465.db2.gz BNEIZUPCGQOZSU-UHFFFAOYSA-N 1 2 306.709 2.170 20 5 DEBDLO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000591150180 357681699 /nfs/dbraw/zinc/68/16/99/357681699.db2.gz BZIGHAHHWFSGQQ-UHFFFAOYSA-N 1 2 323.374 2.378 20 5 DEBDLO CN1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000591156034 357682188 /nfs/dbraw/zinc/68/21/88/357682188.db2.gz AFDLRMBHZULUDQ-LLVKDONJSA-N 1 2 300.318 2.176 20 5 DEBDLO CCOC(=O)Cc1ccc(NCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000591908001 357791355 /nfs/dbraw/zinc/79/13/55/357791355.db2.gz MBELAMLEUNAOGN-UHFFFAOYSA-N 1 2 318.333 2.046 20 5 DEBDLO CCOC(=O)Cc1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591890707 357781347 /nfs/dbraw/zinc/78/13/47/357781347.db2.gz PQWLPDPHCJFUEJ-UHFFFAOYSA-N 1 2 318.333 2.009 20 5 DEBDLO Cc1noc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595329606 358424013 /nfs/dbraw/zinc/42/40/13/358424013.db2.gz HJVJTNUHQFPKFX-LLVKDONJSA-N 1 2 305.334 2.274 20 5 DEBDLO Cc1noc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595329606 358424015 /nfs/dbraw/zinc/42/40/15/358424015.db2.gz HJVJTNUHQFPKFX-LLVKDONJSA-N 1 2 305.334 2.274 20 5 DEBDLO COc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000596102491 358610991 /nfs/dbraw/zinc/61/09/91/358610991.db2.gz UJDCLKBMLJNPIU-LBPRGKRZSA-N 1 2 309.366 2.044 20 5 DEBDLO COc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000596102491 358610993 /nfs/dbraw/zinc/61/09/93/358610993.db2.gz UJDCLKBMLJNPIU-LBPRGKRZSA-N 1 2 309.366 2.044 20 5 DEBDLO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459910 359207218 /nfs/dbraw/zinc/20/72/18/359207218.db2.gz PBTZXOQRLYLFCA-LLVKDONJSA-N 1 2 316.361 2.483 20 5 DEBDLO CCc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598947301 359364388 /nfs/dbraw/zinc/36/43/88/359364388.db2.gz LPHWGFCWDOJVBO-CYBMUJFWSA-N 1 2 314.345 2.099 20 5 DEBDLO O=C1CCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])N1 ZINC000599076745 359398197 /nfs/dbraw/zinc/39/81/97/359398197.db2.gz FTSKRAKRGJUDFB-NSHDSACASA-N 1 2 300.318 2.224 20 5 DEBDLO COc1cc(C[NH2+]Cc2conc2C)c([N+](=O)[O-])cc1OC ZINC000601142052 359938855 /nfs/dbraw/zinc/93/88/55/359938855.db2.gz MAQYYJHBSZKPCG-UHFFFAOYSA-N 1 2 307.306 2.198 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000602789182 360555454 /nfs/dbraw/zinc/55/54/54/360555454.db2.gz VIWHCPSTXDWRLC-UHFFFAOYSA-N 1 2 322.315 2.436 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000602789182 360555457 /nfs/dbraw/zinc/55/54/57/360555457.db2.gz VIWHCPSTXDWRLC-UHFFFAOYSA-N 1 2 322.315 2.436 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997312 360661365 /nfs/dbraw/zinc/66/13/65/360661365.db2.gz HNMJQUDKTPOONO-BMFZPTHFSA-N 1 2 306.362 2.426 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997312 360661369 /nfs/dbraw/zinc/66/13/69/360661369.db2.gz HNMJQUDKTPOONO-BMFZPTHFSA-N 1 2 306.362 2.426 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000604453358 360907749 /nfs/dbraw/zinc/90/77/49/360907749.db2.gz XXZNEOCIASGPKE-UHFFFAOYSA-N 1 2 304.306 2.219 20 5 DEBDLO Cc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000609029526 361277145 /nfs/dbraw/zinc/27/71/45/361277145.db2.gz VCICXCCLQNVZLX-UHFFFAOYSA-N 1 2 313.313 2.202 20 5 DEBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252225 361562056 /nfs/dbraw/zinc/56/20/56/361562056.db2.gz XJYASZSICRCOIY-YPMHNXCESA-N 1 2 322.361 2.365 20 5 DEBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252225 361562060 /nfs/dbraw/zinc/56/20/60/361562060.db2.gz XJYASZSICRCOIY-YPMHNXCESA-N 1 2 322.361 2.365 20 5 DEBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC(C)(C)O1 ZINC000611265098 361565711 /nfs/dbraw/zinc/56/57/11/361565711.db2.gz HRBYGMILPNULDF-NSHDSACASA-N 1 2 322.361 2.365 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC(C)(C)O1 ZINC000611265098 361565715 /nfs/dbraw/zinc/56/57/15/361565715.db2.gz HRBYGMILPNULDF-NSHDSACASA-N 1 2 322.361 2.365 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517255 361619719 /nfs/dbraw/zinc/61/97/19/361619719.db2.gz LWKNRLOIDMEYHI-NSHDSACASA-N 1 2 305.334 2.192 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517255 361619721 /nfs/dbraw/zinc/61/97/21/361619721.db2.gz LWKNRLOIDMEYHI-NSHDSACASA-N 1 2 305.334 2.192 20 5 DEBDLO Cc1c(CN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000195325886 201378488 /nfs/dbraw/zinc/37/84/88/201378488.db2.gz HNEVRZGEVROHSX-OKILXGFUSA-N 1 2 321.421 2.444 20 5 DEBDLO Cc1c(CN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000195325886 201378489 /nfs/dbraw/zinc/37/84/89/201378489.db2.gz HNEVRZGEVROHSX-OKILXGFUSA-N 1 2 321.421 2.444 20 5 DEBDLO O=C(N[C@H]1CCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449968576 241307357 /nfs/dbraw/zinc/30/73/57/241307357.db2.gz BIUHPIKFEJUNIK-NSHDSACASA-N 1 2 318.358 2.016 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000450822534 242270312 /nfs/dbraw/zinc/27/03/12/242270312.db2.gz BIAOKXCDIOJWFA-WPRPVWTQSA-N 1 2 317.305 2.091 20 5 DEBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCNC1=O ZINC000282497332 217041874 /nfs/dbraw/zinc/04/18/74/217041874.db2.gz WJCSUTWIYNQLNW-AWEZNQCLSA-N 1 2 321.377 2.092 20 5 DEBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCNC1=O ZINC000282497332 217041878 /nfs/dbraw/zinc/04/18/78/217041878.db2.gz WJCSUTWIYNQLNW-AWEZNQCLSA-N 1 2 321.377 2.092 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000456338324 247100322 /nfs/dbraw/zinc/10/03/22/247100322.db2.gz BKSFANYMRCUCJV-SECBINFHSA-N 1 2 320.353 2.149 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456393829 247156572 /nfs/dbraw/zinc/15/65/72/247156572.db2.gz RQHBQKPXIKSRAE-QPUJVOFHSA-N 1 2 304.281 2.366 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000492531505 249084133 /nfs/dbraw/zinc/08/41/33/249084133.db2.gz JGROAMXMEAEICW-VOTSOKGWSA-N 1 2 316.317 2.472 20 5 DEBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000492490102 249075215 /nfs/dbraw/zinc/07/52/15/249075215.db2.gz HMBYQVFRJQSTON-SREVYHEPSA-N 1 2 316.317 2.472 20 5 DEBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492770434 249135630 /nfs/dbraw/zinc/13/56/30/249135630.db2.gz QSGXKUNRKGCBNY-DUXPYHPUSA-N 1 2 306.709 2.301 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000493248769 249259607 /nfs/dbraw/zinc/25/96/07/249259607.db2.gz ASYWLOHMGSHYPG-LLVKDONJSA-N 1 2 314.769 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000493248769 249259611 /nfs/dbraw/zinc/25/96/11/249259611.db2.gz ASYWLOHMGSHYPG-LLVKDONJSA-N 1 2 314.769 2.222 20 5 DEBDLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000493510429 249309866 /nfs/dbraw/zinc/30/98/66/249309866.db2.gz CWWUZARDZSCMCF-CMDGGOBGSA-N 1 2 314.345 2.470 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554082295 291754069 /nfs/dbraw/zinc/75/40/69/291754069.db2.gz UIRINTOGJQVEGY-NSHDSACASA-N 1 2 315.329 2.418 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000368457832 285115666 /nfs/dbraw/zinc/11/56/66/285115666.db2.gz FPHCRUVUXWAGDK-AWEZNQCLSA-N 1 2 318.354 2.213 20 5 DEBDLO Cc1ccc(OCC[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355800292 133048937 /nfs/dbraw/zinc/04/89/37/133048937.db2.gz LKZGQWGZQXVFPC-UHFFFAOYSA-N 1 2 304.350 2.148 20 5 DEBDLO Cc1ccc(OCC[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355800292 133048938 /nfs/dbraw/zinc/04/89/38/133048938.db2.gz LKZGQWGZQXVFPC-UHFFFAOYSA-N 1 2 304.350 2.148 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377709717 133342869 /nfs/dbraw/zinc/34/28/69/133342869.db2.gz ZLVQFDIKQHNVDJ-CTJKTKJGSA-N 1 2 318.373 2.488 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377709717 133342870 /nfs/dbraw/zinc/34/28/70/133342870.db2.gz ZLVQFDIKQHNVDJ-CTJKTKJGSA-N 1 2 318.373 2.488 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346669880 146120730 /nfs/dbraw/zinc/12/07/30/146120730.db2.gz JDZOZSRXHBTTDL-BHDSKKPTSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346669880 146120731 /nfs/dbraw/zinc/12/07/31/146120731.db2.gz JDZOZSRXHBTTDL-BHDSKKPTSA-N 1 2 323.780 2.334 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000348265713 146244638 /nfs/dbraw/zinc/24/46/38/146244638.db2.gz ANHXSIGKWXIFTH-UHFFFAOYSA-N 1 2 305.265 2.068 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349243595 146361860 /nfs/dbraw/zinc/36/18/60/146361860.db2.gz PYVWDFRXCOJBOB-JTQLQIEISA-N 1 2 304.306 2.181 20 5 DEBDLO CC(C)OC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372119482 148172277 /nfs/dbraw/zinc/17/22/77/148172277.db2.gz BTYXMRZWOGSDIX-MRXNPFEDSA-N 1 2 324.377 2.099 20 5 DEBDLO CC(C)OC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372119482 148172279 /nfs/dbraw/zinc/17/22/79/148172279.db2.gz BTYXMRZWOGSDIX-MRXNPFEDSA-N 1 2 324.377 2.099 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375332816 148360421 /nfs/dbraw/zinc/36/04/21/148360421.db2.gz NLFNBQLCPAIFOA-LBPRGKRZSA-N 1 2 307.741 2.287 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375332816 148360422 /nfs/dbraw/zinc/36/04/22/148360422.db2.gz NLFNBQLCPAIFOA-LBPRGKRZSA-N 1 2 307.741 2.287 20 5 DEBDLO Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000112496145 401747154 /nfs/dbraw/zinc/74/71/54/401747154.db2.gz SURNOGBRYFLKDH-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000130428692 401831452 /nfs/dbraw/zinc/83/14/52/401831452.db2.gz HHNXSXDGKYYZPX-CYBMUJFWSA-N 1 2 321.377 2.094 20 5 DEBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000130428692 401831454 /nfs/dbraw/zinc/83/14/54/401831454.db2.gz HHNXSXDGKYYZPX-CYBMUJFWSA-N 1 2 321.377 2.094 20 5 DEBDLO CS(=O)(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000093816372 402021470 /nfs/dbraw/zinc/02/14/70/402021470.db2.gz SVQGCAPDFNAOCX-GQCTYLIASA-N 1 2 324.402 2.117 20 5 DEBDLO CS(=O)(=O)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000093816372 402021472 /nfs/dbraw/zinc/02/14/72/402021472.db2.gz SVQGCAPDFNAOCX-GQCTYLIASA-N 1 2 324.402 2.117 20 5 DEBDLO CCN(CC)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153277410 402136501 /nfs/dbraw/zinc/13/65/01/402136501.db2.gz LNAHIOZKTBWRTR-UHFFFAOYSA-N 1 2 305.378 2.428 20 5 DEBDLO Cc1ccc2[nH+]c(CNC(=O)Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000071445905 402274753 /nfs/dbraw/zinc/27/47/53/402274753.db2.gz ASJUFQRJMJKGCQ-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184714444 402294203 /nfs/dbraw/zinc/29/42/03/402294203.db2.gz YOOBXSCBBRKYQH-GFCCVEGCSA-N 1 2 321.377 2.151 20 5 DEBDLO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184714444 402294207 /nfs/dbraw/zinc/29/42/07/402294207.db2.gz YOOBXSCBBRKYQH-GFCCVEGCSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@]1(O)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000219828793 402299837 /nfs/dbraw/zinc/29/98/37/402299837.db2.gz ZKQHVAAUZSXYPF-GFCCVEGCSA-N 1 2 315.167 2.314 20 5 DEBDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000219828793 402299839 /nfs/dbraw/zinc/29/98/39/402299839.db2.gz ZKQHVAAUZSXYPF-GFCCVEGCSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1ccccc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000237941911 402426901 /nfs/dbraw/zinc/42/69/01/402426901.db2.gz MXVGEDQPUALZPW-UHFFFAOYSA-N 1 2 314.345 2.439 20 5 DEBDLO COC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000193099353 402764868 /nfs/dbraw/zinc/76/48/68/402764868.db2.gz GVFIOCMBYUHGBZ-BZPMIXESSA-N 1 2 306.362 2.457 20 5 DEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263961603 402825130 /nfs/dbraw/zinc/82/51/30/402825130.db2.gz XMVDBEDFURMCCU-VIFPVBQESA-N 1 2 306.347 2.399 20 5 DEBDLO Cc1nc(C(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])no1 ZINC000264342935 402869715 /nfs/dbraw/zinc/86/97/15/402869715.db2.gz RWAVUNJYPVVKPJ-UHFFFAOYSA-N 1 2 306.322 2.190 20 5 DEBDLO O=C(NCCCn1cc[nH+]c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272508346 402945977 /nfs/dbraw/zinc/94/59/77/402945977.db2.gz JWSHEVURXKTUIY-UHFFFAOYSA-N 1 2 324.287 2.090 20 5 DEBDLO Cc1cc(N2CC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265768069 402947830 /nfs/dbraw/zinc/94/78/30/402947830.db2.gz CGCAMRQZHLYZDB-GFCCVEGCSA-N 1 2 314.345 2.179 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274658072 403075574 /nfs/dbraw/zinc/07/55/74/403075574.db2.gz GAURMAXAEVIDIC-LLVKDONJSA-N 1 2 303.322 2.310 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000268872432 403119979 /nfs/dbraw/zinc/11/99/79/403119979.db2.gz DEUXLURVTYPCSU-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000282378784 403148354 /nfs/dbraw/zinc/14/83/54/403148354.db2.gz CQJBNTOXJUWURO-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000282378784 403148356 /nfs/dbraw/zinc/14/83/56/403148356.db2.gz CQJBNTOXJUWURO-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO Cc1cc(F)c(NC(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000283622760 403210724 /nfs/dbraw/zinc/21/07/24/403210724.db2.gz ASANGQNVERUNRB-UHFFFAOYSA-N 1 2 321.312 2.451 20 5 DEBDLO CCOCCOCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285438649 403296347 /nfs/dbraw/zinc/29/63/47/403296347.db2.gz XBMHTGBWJLDZCX-UHFFFAOYSA-N 1 2 318.320 2.358 20 5 DEBDLO CCOCCOCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285438649 403296352 /nfs/dbraw/zinc/29/63/52/403296352.db2.gz XBMHTGBWJLDZCX-UHFFFAOYSA-N 1 2 318.320 2.358 20 5 DEBDLO Cc1cc(N(C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292286064 403344803 /nfs/dbraw/zinc/34/48/03/403344803.db2.gz JZYMDEZEAVCPCC-LLVKDONJSA-N 1 2 302.334 2.177 20 5 DEBDLO CCNC(=O)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000293150607 403401488 /nfs/dbraw/zinc/40/14/88/403401488.db2.gz DSSONQSJCQSQPF-ZDUSSCGKSA-N 1 2 315.320 2.123 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000293510314 403491685 /nfs/dbraw/zinc/49/16/85/403491685.db2.gz ZZVDJLHIIMEVDI-UHFFFAOYSA-N 1 2 315.329 2.247 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)on1 ZINC000286161545 403463177 /nfs/dbraw/zinc/46/31/77/403463177.db2.gz OSJZCUPCVFTQAY-UHFFFAOYSA-N 1 2 320.324 2.353 20 5 DEBDLO COC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347329512 403666870 /nfs/dbraw/zinc/66/68/70/403666870.db2.gz CKWXGEVLJYHFNR-RQPMMQJISA-N 1 2 306.362 2.345 20 5 DEBDLO COC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347329512 403666876 /nfs/dbraw/zinc/66/68/76/403666876.db2.gz CKWXGEVLJYHFNR-RQPMMQJISA-N 1 2 306.362 2.345 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000347361537 403680420 /nfs/dbraw/zinc/68/04/20/403680420.db2.gz PBQRZCVKFGVDTQ-PINLSGDHSA-N 1 2 324.402 2.117 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000347361537 403680424 /nfs/dbraw/zinc/68/04/24/403680424.db2.gz PBQRZCVKFGVDTQ-PINLSGDHSA-N 1 2 324.402 2.117 20 5 DEBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000301921871 403701109 /nfs/dbraw/zinc/70/11/09/403701109.db2.gz DVRRAUOENKJZIT-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000368880896 403892341 /nfs/dbraw/zinc/89/23/41/403892341.db2.gz BLLFHBFTOWOAJW-GFCCVEGCSA-N 1 2 307.741 2.287 20 5 DEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000368880896 403892345 /nfs/dbraw/zinc/89/23/45/403892345.db2.gz BLLFHBFTOWOAJW-GFCCVEGCSA-N 1 2 307.741 2.287 20 5 DEBDLO CC[C@H](C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000347997374 404002800 /nfs/dbraw/zinc/00/28/00/404002800.db2.gz HBGRMZURMHLBLT-SMDDNHRTSA-N 1 2 310.350 2.151 20 5 DEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000344272031 404022763 /nfs/dbraw/zinc/02/27/63/404022763.db2.gz HPZFTPWQDLSHFS-SNVBAGLBSA-N 1 2 318.308 2.477 20 5 DEBDLO CC[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000290177361 404069850 /nfs/dbraw/zinc/06/98/50/404069850.db2.gz NFRORESOQIVCDI-CABCVRRESA-N 1 2 318.377 2.432 20 5 DEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000341721068 404134670 /nfs/dbraw/zinc/13/46/70/404134670.db2.gz RDFMBDFONJUBRI-HNNXBMFYSA-N 1 2 314.345 2.138 20 5 DEBDLO CC(C)Oc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000412116271 404144574 /nfs/dbraw/zinc/14/45/74/404144574.db2.gz BQKOLBFLYSRCEW-UHFFFAOYSA-N 1 2 304.306 2.035 20 5 DEBDLO CC(C)Oc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000412116271 404144583 /nfs/dbraw/zinc/14/45/83/404144583.db2.gz BQKOLBFLYSRCEW-UHFFFAOYSA-N 1 2 304.306 2.035 20 5 DEBDLO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000350312747 404365794 /nfs/dbraw/zinc/36/57/94/404365794.db2.gz USGJHTKVMOUPFR-UHFFFAOYSA-N 1 2 308.265 2.403 20 5 DEBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000360678245 404834410 /nfs/dbraw/zinc/83/44/10/404834410.db2.gz CMKCXKRGUMXQTP-NSHDSACASA-N 1 2 302.334 2.111 20 5 DEBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000360678245 404834412 /nfs/dbraw/zinc/83/44/12/404834412.db2.gz CMKCXKRGUMXQTP-NSHDSACASA-N 1 2 302.334 2.111 20 5 DEBDLO O=C(NC[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000416047594 405014337 /nfs/dbraw/zinc/01/43/37/405014337.db2.gz MORSBMHRKCXKDW-LBPRGKRZSA-N 1 2 312.329 2.310 20 5 DEBDLO Cc1c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000367579671 405091031 /nfs/dbraw/zinc/09/10/31/405091031.db2.gz ZMRMDIMLRYJNQF-HOTGVXAUSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1c(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000367579671 405091034 /nfs/dbraw/zinc/09/10/34/405091034.db2.gz ZMRMDIMLRYJNQF-HOTGVXAUSA-N 1 2 306.362 2.283 20 5 DEBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000361566793 405133750 /nfs/dbraw/zinc/13/37/50/405133750.db2.gz RWJMAZSVBPAYOK-ZWNOBZJWSA-N 1 2 314.769 2.220 20 5 DEBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000361566793 405133754 /nfs/dbraw/zinc/13/37/54/405133754.db2.gz RWJMAZSVBPAYOK-ZWNOBZJWSA-N 1 2 314.769 2.220 20 5 DEBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCCCC1 ZINC000436883354 405157473 /nfs/dbraw/zinc/15/74/73/405157473.db2.gz DQMNMIZLTLNMHS-UHFFFAOYSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436972079 405172318 /nfs/dbraw/zinc/17/23/18/405172318.db2.gz RESPXDICZVASPL-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000425230200 405260833 /nfs/dbraw/zinc/26/08/33/405260833.db2.gz CXQNSLHFFHTDED-NSHDSACASA-N 1 2 321.377 2.103 20 5 DEBDLO CC(C)CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000426246632 405346993 /nfs/dbraw/zinc/34/69/93/405346993.db2.gz UXTDBDASNJZFSX-AWEZNQCLSA-N 1 2 319.405 2.326 20 5 DEBDLO CC(C)CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000426246632 405346994 /nfs/dbraw/zinc/34/69/94/405346994.db2.gz UXTDBDASNJZFSX-AWEZNQCLSA-N 1 2 319.405 2.326 20 5 DEBDLO COc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000557401385 405596114 /nfs/dbraw/zinc/59/61/14/405596114.db2.gz TUQAKKQEYZDKAB-SECBINFHSA-N 1 2 304.306 2.126 20 5 DEBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000558423911 405658477 /nfs/dbraw/zinc/65/84/77/405658477.db2.gz RQCOUNZXDYBGEG-CYBMUJFWSA-N 1 2 316.785 2.466 20 5 DEBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000558423911 405658485 /nfs/dbraw/zinc/65/84/85/405658485.db2.gz RQCOUNZXDYBGEG-CYBMUJFWSA-N 1 2 316.785 2.466 20 5 DEBDLO CCOc1cc(NCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000530669189 405843464 /nfs/dbraw/zinc/84/34/64/405843464.db2.gz DONJFMRDWCFRGZ-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO CCOc1cc(NCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000530669189 405843474 /nfs/dbraw/zinc/84/34/74/405843474.db2.gz DONJFMRDWCFRGZ-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO CCc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000531072522 405905129 /nfs/dbraw/zinc/90/51/29/405905129.db2.gz BABKDUZVTHBBOQ-UHFFFAOYSA-N 1 2 300.318 2.051 20 5 DEBDLO C[C@H]1C[N@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000522275581 406403027 /nfs/dbraw/zinc/40/30/27/406403027.db2.gz QAAKHLKDQIVIQG-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@H]1C[N@@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000522275581 406403033 /nfs/dbraw/zinc/40/30/33/406403033.db2.gz QAAKHLKDQIVIQG-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DEBDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000572587151 406696407 /nfs/dbraw/zinc/69/64/07/406696407.db2.gz IEMFGOTVJNROER-UHFFFAOYSA-N 1 2 315.329 2.408 20 5 DEBDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000572587151 406696413 /nfs/dbraw/zinc/69/64/13/406696413.db2.gz IEMFGOTVJNROER-UHFFFAOYSA-N 1 2 315.329 2.408 20 5 DEBDLO COc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000569582011 292426578 /nfs/dbraw/zinc/42/65/78/292426578.db2.gz OYMDNYCRPJMFAU-NSHDSACASA-N 1 2 318.333 2.067 20 5 DEBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cccc([N+](=O)[O-])c1=O ZINC000191561126 225113173 /nfs/dbraw/zinc/11/31/73/225113173.db2.gz ZSRWQQVXTVDBCT-UHFFFAOYSA-N 1 2 310.313 2.299 20 5 DEBDLO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567530 424998033 /nfs/dbraw/zinc/99/80/33/424998033.db2.gz MONVIZSZLCPATI-UHFFFAOYSA-N 1 2 314.336 2.687 20 5 DEBDLO COc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000515984525 269355452 /nfs/dbraw/zinc/35/54/52/269355452.db2.gz BHNYGGSVMFAXJA-UHFFFAOYSA-N 1 2 318.333 2.010 20 5 DEBDLO C[C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000517747748 269391849 /nfs/dbraw/zinc/39/18/49/269391849.db2.gz FNDRLWMJNOBYNK-LBPRGKRZSA-N 1 2 302.334 2.101 20 5 DEBDLO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000378347582 278036125 /nfs/dbraw/zinc/03/61/25/278036125.db2.gz VWVIAPUORUGSCW-CYBMUJFWSA-N 1 2 319.361 2.355 20 5 DEBDLO CC(C)c1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000378347582 278036128 /nfs/dbraw/zinc/03/61/28/278036128.db2.gz VWVIAPUORUGSCW-CYBMUJFWSA-N 1 2 319.361 2.355 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000178156687 278864375 /nfs/dbraw/zinc/86/43/75/278864375.db2.gz WKVOVDGGZQHQKL-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980447 279117955 /nfs/dbraw/zinc/11/79/55/279117955.db2.gz CEAONKDHYCTVPY-IUODEOHRSA-N 1 2 323.368 2.029 20 5 DEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000291044782 289048680 /nfs/dbraw/zinc/04/86/80/289048680.db2.gz CZVWOOGATFVKFE-DGCLKSJQSA-N 1 2 309.341 2.033 20 5 DEBDLO C[C@H](c1ccccn1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000160049355 290268659 /nfs/dbraw/zinc/26/86/59/290268659.db2.gz GAPIKYGCFFNPFO-CYBMUJFWSA-N 1 2 313.361 2.268 20 5 DEBDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341992333 295303569 /nfs/dbraw/zinc/30/35/69/295303569.db2.gz HZSNIXGCXODFES-SECBINFHSA-N 1 2 308.313 2.327 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184322387 304533049 /nfs/dbraw/zinc/53/30/49/304533049.db2.gz NWPLQPRAELAWAE-CYBMUJFWSA-N 1 2 319.361 2.001 20 5 DEBDLO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000456681164 303743698 /nfs/dbraw/zinc/74/36/98/303743698.db2.gz GMJZISIQXKZLAX-UHFFFAOYSA-N 1 2 319.361 2.047 20 5 DEBDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173360974 325735702 /nfs/dbraw/zinc/73/57/02/325735702.db2.gz YTBKRBUQGYGGDE-GFCCVEGCSA-N 1 2 324.344 2.421 20 5 DEBDLO Cn1cc([N+](=O)[O-])cc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000577252177 326352627 /nfs/dbraw/zinc/35/26/27/326352627.db2.gz VAJSXQLOSWYHEM-UHFFFAOYSA-N 1 2 324.300 2.222 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332481890 534719817 /nfs/dbraw/zinc/71/98/17/534719817.db2.gz WTMMUUUGTJCFRQ-UHFFFAOYSA-N 1 2 316.317 2.043 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@](F)(CO)C3)c2c1 ZINC000413288675 534885159 /nfs/dbraw/zinc/88/51/59/534885159.db2.gz DWQAUNSSOIZJQU-HNNXBMFYSA-N 1 2 305.309 2.444 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](C)C1 ZINC000246179240 526160734 /nfs/dbraw/zinc/16/07/34/526160734.db2.gz UMOKIPUCQSNNHB-GHMZBOCLSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@H](C)C1 ZINC000246179240 526160745 /nfs/dbraw/zinc/16/07/45/526160745.db2.gz UMOKIPUCQSNNHB-GHMZBOCLSA-N 1 2 309.391 2.359 20 5 DEBDLO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)OCCO ZINC000413296466 527185251 /nfs/dbraw/zinc/18/52/51/527185251.db2.gz HYDQOTZMNHBEJT-UHFFFAOYSA-N 1 2 305.334 2.342 20 5 DEBDLO CC(C)NC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000428107893 527723324 /nfs/dbraw/zinc/72/33/24/527723324.db2.gz OHZULSNJVPUCCP-UHFFFAOYSA-N 1 2 317.349 2.093 20 5 DEBDLO CC(C)CC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000360692646 534946242 /nfs/dbraw/zinc/94/62/42/534946242.db2.gz XARVKRIJJPSYGD-AWEZNQCLSA-N 1 2 308.378 2.455 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000456369898 536120903 /nfs/dbraw/zinc/12/09/03/536120903.db2.gz DLDRGVPNDOGJOJ-NSHDSACASA-N 1 2 318.333 2.067 20 5 DEBDLO CC[C@H]1C[N@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000362666070 536150749 /nfs/dbraw/zinc/15/07/49/536150749.db2.gz FDNBWMGSAIUKFC-NSHDSACASA-N 1 2 314.773 2.166 20 5 DEBDLO CC[C@H]1C[N@@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000362666070 536150754 /nfs/dbraw/zinc/15/07/54/536150754.db2.gz FDNBWMGSAIUKFC-NSHDSACASA-N 1 2 314.773 2.166 20 5 DEBDLO CCn1c[nH+]c2c1CCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000933261200 624130407 /nfs/dbraw/zinc/13/04/07/624130407.db2.gz CMGVCHJMCFZKLP-UHFFFAOYSA-N 1 2 316.361 2.248 20 5 DEBDLO COc1cc([N+](=O)[O-])cnc1NCC[NH+]1Cc2ccccc2C1 ZINC000892092547 624779259 /nfs/dbraw/zinc/77/92/59/624779259.db2.gz DUVQNSNYMHXBNI-UHFFFAOYSA-N 1 2 314.345 2.426 20 5 DEBDLO C[C@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235464251 625809033 /nfs/dbraw/zinc/80/90/33/625809033.db2.gz XOYMLBPAZLQBPT-MRVPVSSYSA-N 1 2 303.156 2.170 20 5 DEBDLO C[C@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235464251 625809034 /nfs/dbraw/zinc/80/90/34/625809034.db2.gz XOYMLBPAZLQBPT-MRVPVSSYSA-N 1 2 303.156 2.170 20 5 DEBDLO C[N@H+](CC[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000791052965 636512876 /nfs/dbraw/zinc/51/28/76/636512876.db2.gz QDNGYPBMHHONJM-VXGBXAGGSA-N 1 2 305.161 2.160 20 5 DEBDLO C[N@@H+](CC[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000791052965 636512879 /nfs/dbraw/zinc/51/28/79/636512879.db2.gz QDNGYPBMHHONJM-VXGBXAGGSA-N 1 2 305.161 2.160 20 5 DEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761084862 640266953 /nfs/dbraw/zinc/26/69/53/640266953.db2.gz BBJUDDQROWGMNL-MFKMUULPSA-N 1 2 305.334 2.026 20 5 DEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761084862 640266956 /nfs/dbraw/zinc/26/69/56/640266956.db2.gz BBJUDDQROWGMNL-MFKMUULPSA-N 1 2 305.334 2.026 20 5 DEBDLO CN(C)c1cc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000767553343 640992464 /nfs/dbraw/zinc/99/24/64/640992464.db2.gz CLJZESDQWWBNCJ-UHFFFAOYSA-N 1 2 315.329 2.342 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000774701004 641947560 /nfs/dbraw/zinc/94/75/60/641947560.db2.gz FKDIAVJZLBVOFK-INIZCTEOSA-N 1 2 314.345 2.270 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000774701004 641947566 /nfs/dbraw/zinc/94/75/66/641947566.db2.gz FKDIAVJZLBVOFK-INIZCTEOSA-N 1 2 314.345 2.270 20 5 DEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901218747 642598931 /nfs/dbraw/zinc/59/89/31/642598931.db2.gz VFWNKDAGMCRDDJ-GXFFZTMASA-N 1 2 305.334 2.256 20 5 DEBDLO CC(C)C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677316 643261388 /nfs/dbraw/zinc/26/13/88/643261388.db2.gz JXRRFZGAYNCQGQ-UHFFFAOYSA-N 1 2 317.301 2.162 20 5 DEBDLO COc1cc([C@H](C)[NH2+][C@H](C)c2ncnn2C)cc([N+](=O)[O-])c1 ZINC000903159544 643271497 /nfs/dbraw/zinc/27/14/97/643271497.db2.gz YRYHARBRJMAZRX-VHSXEESVSA-N 1 2 305.338 2.144 20 5 DEBDLO C/C(=C/C(=O)N1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000793489548 644261432 /nfs/dbraw/zinc/26/14/32/644261432.db2.gz FGDKEZXBABMVBY-WQLSENKSSA-N 1 2 312.329 2.237 20 5 DEBDLO C[N@H+](CC(F)F)C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804534312 645787741 /nfs/dbraw/zinc/78/77/41/645787741.db2.gz HPCUCMMWHWDWID-UHFFFAOYSA-N 1 2 314.336 2.343 20 5 DEBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804534312 645787745 /nfs/dbraw/zinc/78/77/45/645787745.db2.gz HPCUCMMWHWDWID-UHFFFAOYSA-N 1 2 314.336 2.343 20 5 DEBDLO C[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC(C)(C)C1 ZINC000840165029 646209353 /nfs/dbraw/zinc/20/93/53/646209353.db2.gz YDMSLUDULMVYHH-UHFFFAOYSA-N 1 2 317.345 2.269 20 5 DEBDLO C[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC(C)(C)C1 ZINC000840165029 646209359 /nfs/dbraw/zinc/20/93/59/646209359.db2.gz YDMSLUDULMVYHH-UHFFFAOYSA-N 1 2 317.345 2.269 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000811783417 646576421 /nfs/dbraw/zinc/57/64/21/646576421.db2.gz YWNLCYPYOUSVBN-INIZCTEOSA-N 1 2 314.345 2.219 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000811783417 646576424 /nfs/dbraw/zinc/57/64/24/646576424.db2.gz YWNLCYPYOUSVBN-INIZCTEOSA-N 1 2 314.345 2.219 20 5 DEBDLO COC(=O)/C=C\c1ccc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000811846321 646584904 /nfs/dbraw/zinc/58/49/04/646584904.db2.gz QLCRCCQSPUTPSK-XQRVVYSFSA-N 1 2 316.317 2.127 20 5 DEBDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000817375845 647280923 /nfs/dbraw/zinc/28/09/23/647280923.db2.gz SUJZEIHYHXUXHX-NEPJUHHUSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000817375845 647280927 /nfs/dbraw/zinc/28/09/27/647280927.db2.gz SUJZEIHYHXUXHX-NEPJUHHUSA-N 1 2 324.381 2.049 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000822133403 648161280 /nfs/dbraw/zinc/16/12/80/648161280.db2.gz UQFHQSHPNIHBRN-GFCCVEGCSA-N 1 2 314.345 2.153 20 5 DEBDLO CCN1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)OC1=O ZINC000846831713 651355269 /nfs/dbraw/zinc/35/52/69/651355269.db2.gz KUSBIRWBJSMJLW-AWEZNQCLSA-N 1 2 319.361 2.400 20 5 DEBDLO CCN1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)OC1=O ZINC000846831713 651355270 /nfs/dbraw/zinc/35/52/70/651355270.db2.gz KUSBIRWBJSMJLW-AWEZNQCLSA-N 1 2 319.361 2.400 20 5 DEBDLO C[C@@H]1CN(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000851869347 652266291 /nfs/dbraw/zinc/26/62/91/652266291.db2.gz DQMAZEWHRLDKEO-ZIAGYGMSSA-N 1 2 319.405 2.062 20 5 DEBDLO C[C@@H]1CN(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000851869347 652266294 /nfs/dbraw/zinc/26/62/94/652266294.db2.gz DQMAZEWHRLDKEO-ZIAGYGMSSA-N 1 2 319.405 2.062 20 5 DEBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn(CC)n2)cc1[N+](=O)[O-] ZINC000858444579 652338078 /nfs/dbraw/zinc/33/80/78/652338078.db2.gz NAFCSNLNNATKGS-LLVKDONJSA-N 1 2 319.365 2.456 20 5 DEBDLO C[N@H+](C[C@H]1CC1(C)C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853627481 652581181 /nfs/dbraw/zinc/58/11/81/652581181.db2.gz WHFRQWSXILKNQG-SNVBAGLBSA-N 1 2 317.345 2.126 20 5 DEBDLO C[N@@H+](C[C@H]1CC1(C)C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853627481 652581182 /nfs/dbraw/zinc/58/11/82/652581182.db2.gz WHFRQWSXILKNQG-SNVBAGLBSA-N 1 2 317.345 2.126 20 5 DEBDLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000088503969 684017037 /nfs/dbraw/zinc/01/70/37/684017037.db2.gz VEHMBPUCYRQYRR-CQSZACIVSA-N 1 2 315.377 2.479 20 5 DEBDLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000088503969 684017038 /nfs/dbraw/zinc/01/70/38/684017038.db2.gz VEHMBPUCYRQYRR-CQSZACIVSA-N 1 2 315.377 2.479 20 5 DEBDLO CC(C)N1CC[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000872045565 688919131 /nfs/dbraw/zinc/91/91/31/688919131.db2.gz OSKNAUPEXYBSDJ-PWSUYJOCSA-N 1 2 309.341 2.394 20 5 DEBDLO CC[C@H]1COCC[N@@H+]1CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000872771672 689088336 /nfs/dbraw/zinc/08/83/36/689088336.db2.gz KGHUPPMZGMQPBZ-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC[C@H]1COCC[N@H+]1CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000872771672 689088339 /nfs/dbraw/zinc/08/83/39/689088339.db2.gz KGHUPPMZGMQPBZ-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000873523604 689265304 /nfs/dbraw/zinc/26/53/04/689265304.db2.gz CTLVHQPDVCERSN-GFCCVEGCSA-N 1 2 310.325 2.412 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000873523604 689265307 /nfs/dbraw/zinc/26/53/07/689265307.db2.gz CTLVHQPDVCERSN-GFCCVEGCSA-N 1 2 310.325 2.412 20 5 DEBDLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000879753206 690721040 /nfs/dbraw/zinc/72/10/40/690721040.db2.gz ZEEARFYXOUZKTF-AWEZNQCLSA-N 1 2 301.350 2.369 20 5 DEBDLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000879753206 690721042 /nfs/dbraw/zinc/72/10/42/690721042.db2.gz ZEEARFYXOUZKTF-AWEZNQCLSA-N 1 2 301.350 2.369 20 5 DEBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000886044086 691991528 /nfs/dbraw/zinc/99/15/28/691991528.db2.gz QKXHYEFPHWVOQC-LLVKDONJSA-N 1 2 319.283 2.125 20 5 DEBDLO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001343286485 1150728968 /nfs/dbraw/zinc/72/89/68/1150728968.db2.gz SQUYWMKWIUWDGI-UHFFFAOYSA-N 1 2 317.320 2.465 20 5 DEBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001343286485 1150728975 /nfs/dbraw/zinc/72/89/75/1150728975.db2.gz SQUYWMKWIUWDGI-UHFFFAOYSA-N 1 2 317.320 2.465 20 5 DEBDLO C[C@H](NC(=O)CCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC001347357368 1151058749 /nfs/dbraw/zinc/05/87/49/1151058749.db2.gz KMFFUGDKMNNABH-NSHDSACASA-N 1 2 302.334 2.138 20 5 DEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)C1 ZINC001169054385 785024527 /nfs/dbraw/zinc/02/45/27/785024527.db2.gz LRFZBNIULNXVLU-MCIONIFRSA-N 1 2 317.380 2.237 20 5 DEBDLO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CC[C@@H]2CO3)c([N+](=O)[O-])c1 ZINC001170355703 786916909 /nfs/dbraw/zinc/91/69/09/786916909.db2.gz PSYHQXPPGVEBIW-NJZAAPMLSA-N 1 2 306.362 2.398 20 5 DEBDLO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[C@@H]2CO3)c([N+](=O)[O-])c1 ZINC001170355703 786916915 /nfs/dbraw/zinc/91/69/15/786916915.db2.gz PSYHQXPPGVEBIW-NJZAAPMLSA-N 1 2 306.362 2.398 20 5 DEBDLO CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455905 798208586 /nfs/dbraw/zinc/20/85/86/798208586.db2.gz XBUFDMMDTWWDRP-UHFFFAOYSA-N 1 2 305.165 2.437 20 5 DEBDLO CCN(CCn1cc[nH+]c1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001157459927 798209888 /nfs/dbraw/zinc/20/98/88/798209888.db2.gz NOVBBUSOIIPGJJ-UHFFFAOYSA-N 1 2 312.333 2.261 20 5 DEBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226198441 803070298 /nfs/dbraw/zinc/07/02/98/803070298.db2.gz MDLBMRZSPLYEOV-QMMMGPOBSA-N 1 2 304.705 2.097 20 5 DEBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226198441 803070303 /nfs/dbraw/zinc/07/03/03/803070303.db2.gz MDLBMRZSPLYEOV-QMMMGPOBSA-N 1 2 304.705 2.097 20 5 DEBDLO C[C@H](C[NH+](C)C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228859656 803421962 /nfs/dbraw/zinc/42/19/62/803421962.db2.gz MMWJXYHRXSTTED-ZCFIWIBFSA-N 1 2 309.244 2.043 20 5 DEBDLO CCc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1[N+](=O)[O-] ZINC001630883103 1078352448 /nfs/dbraw/zinc/35/24/48/1078352448.db2.gz SQMFARUIUGQCJO-UHFFFAOYSA-N 1 2 302.334 2.427 20 5 DEBDLO Cc1cc(C)c(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c[nH+]1 ZINC001639155297 1078599167 /nfs/dbraw/zinc/59/91/67/1078599167.db2.gz TVVCQGVGKMXAIN-UHFFFAOYSA-N 1 2 300.318 2.119 20 5 DEBDLO Cc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001645366652 1078897558 /nfs/dbraw/zinc/89/75/58/1078897558.db2.gz XDEDZKUIDRXPMX-UHFFFAOYSA-N 1 2 314.345 2.435 20 5 DEBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cn2C)[nH+]c1C ZINC001649371882 1079114843 /nfs/dbraw/zinc/11/48/43/1079114843.db2.gz UPUDJCFEGAPYOY-LBPRGKRZSA-N 1 2 317.349 2.251 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)n1 ZINC001558560208 1075099529 /nfs/dbraw/zinc/09/95/29/1075099529.db2.gz IRBVSIAPLVWUED-UHFFFAOYSA-N 1 2 303.322 2.075 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)n1 ZINC001558560208 1075099531 /nfs/dbraw/zinc/09/95/31/1075099531.db2.gz IRBVSIAPLVWUED-UHFFFAOYSA-N 1 2 303.322 2.075 20 5 DEBDLO Cc1[nH]c(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[nH+]c1C ZINC001566257306 1075239217 /nfs/dbraw/zinc/23/92/17/1075239217.db2.gz OJRMAYHAQOLUGF-UHFFFAOYSA-N 1 2 313.317 2.346 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001654073277 1079950328 /nfs/dbraw/zinc/95/03/28/1079950328.db2.gz GMNUVUODAZWFNH-VIFPVBQESA-N 1 2 322.369 2.131 20 5 DEBDLO CCc1ccc2c(c1)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC001656574106 1080104257 /nfs/dbraw/zinc/10/42/57/1080104257.db2.gz OJWZGAGCQIMMHK-UHFFFAOYSA-N 1 2 300.362 2.449 20 5 DEBDLO CCc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC001656574106 1080104260 /nfs/dbraw/zinc/10/42/60/1080104260.db2.gz OJWZGAGCQIMMHK-UHFFFAOYSA-N 1 2 300.362 2.449 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001658923745 1080223146 /nfs/dbraw/zinc/22/31/46/1080223146.db2.gz PZPOIXFTHHQYQD-GOEBONIOSA-N 1 2 317.389 2.455 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001658923745 1080223150 /nfs/dbraw/zinc/22/31/50/1080223150.db2.gz PZPOIXFTHHQYQD-GOEBONIOSA-N 1 2 317.389 2.455 20 5 DEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001324413875 1142073567 /nfs/dbraw/zinc/07/35/67/1142073567.db2.gz RSYDJNFYWYXFOD-CYBMUJFWSA-N 1 2 322.409 2.037 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c2nonc21 ZINC001252658321 1142804508 /nfs/dbraw/zinc/80/45/08/1142804508.db2.gz YPFLJXOOKIAQCF-UHFFFAOYSA-N 1 2 314.305 2.238 20 5 DEBDLO Cc1cncc([N+](=O)[O-])c1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001339952080 1143201861 /nfs/dbraw/zinc/20/18/61/1143201861.db2.gz DOVOFTNDDZNQCR-UHFFFAOYSA-N 1 2 313.361 2.322 20 5 DEBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC001304054101 1147344579 /nfs/dbraw/zinc/34/45/79/1147344579.db2.gz DUAVJQXKTMQRQR-UHFFFAOYSA-N 1 2 300.318 2.127 20 5 DEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000135883851 282082023 /nfs/dbraw/zinc/08/20/23/282082023.db2.gz SIHHAULBGGZHAR-UHFFFAOYSA-N 1 2 320.374 2.333 20 5 DEBDLO COCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000079396362 185168871 /nfs/dbraw/zinc/16/88/71/185168871.db2.gz HHPGHIZARVCNFA-UHFFFAOYSA-N 1 2 302.758 2.343 20 5 DEBDLO COCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000079396362 185168872 /nfs/dbraw/zinc/16/88/72/185168872.db2.gz HHPGHIZARVCNFA-UHFFFAOYSA-N 1 2 302.758 2.343 20 5 DEBDLO Cc1nccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000183810584 282187104 /nfs/dbraw/zinc/18/71/04/282187104.db2.gz PZERJZMGJGSSOL-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO COc1cc(C[N@H+](C)CCn2cccn2)c([N+](=O)[O-])cc1F ZINC000184213305 282248576 /nfs/dbraw/zinc/24/85/76/282248576.db2.gz GCGANKHAXVEQGN-UHFFFAOYSA-N 1 2 308.313 2.071 20 5 DEBDLO COc1cc(C[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])cc1F ZINC000184213305 282248579 /nfs/dbraw/zinc/24/85/79/282248579.db2.gz GCGANKHAXVEQGN-UHFFFAOYSA-N 1 2 308.313 2.071 20 5 DEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc([N+](=O)[O-])cc1F ZINC000413272525 530015623 /nfs/dbraw/zinc/01/56/23/530015623.db2.gz XIPMXGOPGWQFAQ-UHFFFAOYSA-N 1 2 305.313 2.298 20 5 DEBDLO CC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182000754 199372466 /nfs/dbraw/zinc/37/24/66/199372466.db2.gz XSPIWPMJTWWDGW-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO CC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182000754 199372467 /nfs/dbraw/zinc/37/24/67/199372467.db2.gz XSPIWPMJTWWDGW-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000287090930 219305908 /nfs/dbraw/zinc/30/59/08/219305908.db2.gz VWDOLIFMBYFIAK-OAHLLOKOSA-N 1 2 312.341 2.290 20 5 DEBDLO CCOc1cc(C[N@H+]2CCC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000287090930 219305911 /nfs/dbraw/zinc/30/59/11/219305911.db2.gz VWDOLIFMBYFIAK-OAHLLOKOSA-N 1 2 312.341 2.290 20 5 DEBDLO Cc1noc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1[N+](=O)[O-] ZINC000595473874 358458277 /nfs/dbraw/zinc/45/82/77/358458277.db2.gz ZFPPICNEORXLQD-INIZCTEOSA-N 1 2 317.345 2.205 20 5 DEBDLO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000595485844 358462008 /nfs/dbraw/zinc/46/20/08/358462008.db2.gz YMTRIOODHZUFKQ-ZDUSSCGKSA-N 1 2 307.329 2.349 20 5 DEBDLO Cc1noc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595484572 358462204 /nfs/dbraw/zinc/46/22/04/358462204.db2.gz RMJVZCWTEYRWGG-NSHDSACASA-N 1 2 323.271 2.171 20 5 DEBDLO Cc1noc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595484572 358462206 /nfs/dbraw/zinc/46/22/06/358462206.db2.gz RMJVZCWTEYRWGG-NSHDSACASA-N 1 2 323.271 2.171 20 5 DEBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182041698 199377983 /nfs/dbraw/zinc/37/79/83/199377983.db2.gz HTYPWOIKXIMGPA-CYBMUJFWSA-N 1 2 311.769 2.301 20 5 DEBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182041698 199377984 /nfs/dbraw/zinc/37/79/84/199377984.db2.gz HTYPWOIKXIMGPA-CYBMUJFWSA-N 1 2 311.769 2.301 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000595549044 358480817 /nfs/dbraw/zinc/48/08/17/358480817.db2.gz GITUDGXXRFMDDH-CYBMUJFWSA-N 1 2 305.313 2.163 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000595549044 358480818 /nfs/dbraw/zinc/48/08/18/358480818.db2.gz GITUDGXXRFMDDH-CYBMUJFWSA-N 1 2 305.313 2.163 20 5 DEBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044292408 354232650 /nfs/dbraw/zinc/23/26/50/354232650.db2.gz PHNXVDFXTFDXQL-BXUZGUMPSA-N 1 2 314.345 2.366 20 5 DEBDLO C[NH+]1CCN(CCCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000075669920 355100955 /nfs/dbraw/zinc/10/09/55/355100955.db2.gz UJGTUFDCMIJWQS-UHFFFAOYSA-N 1 2 310.373 2.173 20 5 DEBDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076402033 355147185 /nfs/dbraw/zinc/14/71/85/355147185.db2.gz VBYNIJKXLDFLNV-AWEZNQCLSA-N 1 2 321.377 2.343 20 5 DEBDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076402033 355147187 /nfs/dbraw/zinc/14/71/87/355147187.db2.gz VBYNIJKXLDFLNV-AWEZNQCLSA-N 1 2 321.377 2.343 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(NCCCCN2CC[NH+](C)CC2)c1 ZINC000088700759 355518075 /nfs/dbraw/zinc/51/80/75/355518075.db2.gz MFDORRYUHOKBNT-UHFFFAOYSA-N 1 2 306.410 2.343 20 5 DEBDLO COC(=O)[C@]1(F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093887368 355689579 /nfs/dbraw/zinc/68/95/79/355689579.db2.gz FANYEBZWPBWSNI-DRDHIDPGSA-N 1 2 308.309 2.195 20 5 DEBDLO COC(=O)[C@]1(F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093887368 355689582 /nfs/dbraw/zinc/68/95/82/355689582.db2.gz FANYEBZWPBWSNI-DRDHIDPGSA-N 1 2 308.309 2.195 20 5 DEBDLO C[NH+](C)Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000350652873 356554139 /nfs/dbraw/zinc/55/41/39/356554139.db2.gz ZODWDHWGOKZWFU-UHFFFAOYSA-N 1 2 301.306 2.112 20 5 DEBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384915092 356686083 /nfs/dbraw/zinc/68/60/83/356686083.db2.gz BQFXEVYVYDHPKL-LDYMZIIASA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384915092 356686085 /nfs/dbraw/zinc/68/60/85/356686085.db2.gz BQFXEVYVYDHPKL-LDYMZIIASA-N 1 2 315.167 2.312 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000581170204 357140870 /nfs/dbraw/zinc/14/08/70/357140870.db2.gz HWGBWOGSVBVUHV-UHFFFAOYSA-N 1 2 310.404 2.435 20 5 DEBDLO CNc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000590767757 357606682 /nfs/dbraw/zinc/60/66/82/357606682.db2.gz XDGTZDQJCQBODZ-UHFFFAOYSA-N 1 2 315.333 2.422 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c2c(c1)COCO2 ZINC000590972145 357656264 /nfs/dbraw/zinc/65/62/64/357656264.db2.gz KEKRCFOOWXKIJU-ABAIWWIYSA-N 1 2 320.345 2.072 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c2c(c1)COCO2 ZINC000590972145 357656268 /nfs/dbraw/zinc/65/62/68/357656268.db2.gz KEKRCFOOWXKIJU-ABAIWWIYSA-N 1 2 320.345 2.072 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](n4cncn4)C3)c2c1 ZINC000591157110 357682135 /nfs/dbraw/zinc/68/21/35/357682135.db2.gz LFXQFDJQTHEHHI-CYBMUJFWSA-N 1 2 310.317 2.186 20 5 DEBDLO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179596356 199061412 /nfs/dbraw/zinc/06/14/12/199061412.db2.gz HHZPDBOCCLUDSA-HZRUHFOJSA-N 1 2 324.402 2.117 20 5 DEBDLO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179596356 199061414 /nfs/dbraw/zinc/06/14/14/199061414.db2.gz HHZPDBOCCLUDSA-HZRUHFOJSA-N 1 2 324.402 2.117 20 5 DEBDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000594512855 358287068 /nfs/dbraw/zinc/28/70/68/358287068.db2.gz SASWDAXZDWXFMA-MFKMUULPSA-N 1 2 317.349 2.415 20 5 DEBDLO CCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000595072431 358386566 /nfs/dbraw/zinc/38/65/66/358386566.db2.gz HLVIARUUJMDQNC-JTQLQIEISA-N 1 2 305.338 2.066 20 5 DEBDLO Cc1noc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1[N+](=O)[O-] ZINC000595419254 358443069 /nfs/dbraw/zinc/44/30/69/358443069.db2.gz JEQTVSWVGNNQSJ-CLTRCRFRSA-N 1 2 323.374 2.479 20 5 DEBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1[N+](=O)[O-] ZINC000595419253 358443101 /nfs/dbraw/zinc/44/31/01/358443101.db2.gz JEQTVSWVGNNQSJ-AUADJRAKSA-N 1 2 323.374 2.479 20 5 DEBDLO COc1ccc(OCC[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595287974 358412865 /nfs/dbraw/zinc/41/28/65/358412865.db2.gz WXVTXGWHEQWAMW-UHFFFAOYSA-N 1 2 321.333 2.411 20 5 DEBDLO COc1ccc(OCC[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595287974 358412871 /nfs/dbraw/zinc/41/28/71/358412871.db2.gz WXVTXGWHEQWAMW-UHFFFAOYSA-N 1 2 321.333 2.411 20 5 DEBDLO COc1cc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])ccc1O ZINC000595300919 358416517 /nfs/dbraw/zinc/41/65/17/358416517.db2.gz CJWKMYMMMOHKOM-UHFFFAOYSA-N 1 2 307.306 2.237 20 5 DEBDLO COc1cc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])ccc1O ZINC000595300919 358416521 /nfs/dbraw/zinc/41/65/21/358416521.db2.gz CJWKMYMMMOHKOM-UHFFFAOYSA-N 1 2 307.306 2.237 20 5 DEBDLO Cc1noc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000595380248 358436288 /nfs/dbraw/zinc/43/62/88/358436288.db2.gz NAYBBJXKECBIAI-UHFFFAOYSA-N 1 2 318.333 2.398 20 5 DEBDLO Cc1nnc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000595885534 358572234 /nfs/dbraw/zinc/57/22/34/358572234.db2.gz ORJOBSIEYMKBAN-UHFFFAOYSA-N 1 2 308.363 2.266 20 5 DEBDLO Cc1nnc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000595885534 358572236 /nfs/dbraw/zinc/57/22/36/358572236.db2.gz ORJOBSIEYMKBAN-UHFFFAOYSA-N 1 2 308.363 2.266 20 5 DEBDLO COC(=O)Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000596238029 358649116 /nfs/dbraw/zinc/64/91/16/358649116.db2.gz MBFSQKDBBJRNJT-SECBINFHSA-N 1 2 304.306 2.207 20 5 DEBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000597272402 358875195 /nfs/dbraw/zinc/87/51/95/358875195.db2.gz DBHYVOJPNCGJAZ-VXGBXAGGSA-N 1 2 312.329 2.021 20 5 DEBDLO C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000598465819 359209637 /nfs/dbraw/zinc/20/96/37/359209637.db2.gz VMIUHASBXKTSCV-UWVGGRQHSA-N 1 2 320.324 2.448 20 5 DEBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599160845 359420164 /nfs/dbraw/zinc/42/01/64/359420164.db2.gz QJBKPNKASUAIKF-SNVBAGLBSA-N 1 2 319.283 2.356 20 5 DEBDLO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599160845 359420168 /nfs/dbraw/zinc/42/01/68/359420168.db2.gz QJBKPNKASUAIKF-SNVBAGLBSA-N 1 2 319.283 2.356 20 5 DEBDLO O=[N+]([O-])c1c(NC[C@H]2CC[C@@H](CO)O2)ccc2c[nH+]ccc21 ZINC000599083620 359399014 /nfs/dbraw/zinc/39/90/14/359399014.db2.gz UFWSCALFGVJCTE-NEPJUHHUSA-N 1 2 303.318 2.095 20 5 DEBDLO COC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000188336766 200230246 /nfs/dbraw/zinc/23/02/46/200230246.db2.gz CZOXJLMTZZVNRS-KSLFURFDSA-N 1 2 306.362 2.344 20 5 DEBDLO COC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000188336766 200230248 /nfs/dbraw/zinc/23/02/48/200230248.db2.gz CZOXJLMTZZVNRS-KSLFURFDSA-N 1 2 306.362 2.344 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292397750 223049227 /nfs/dbraw/zinc/04/92/27/223049227.db2.gz YNGZNPNVUUTGGT-NEPJUHHUSA-N 1 2 312.391 2.022 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292397750 223049231 /nfs/dbraw/zinc/04/92/31/223049231.db2.gz YNGZNPNVUUTGGT-NEPJUHHUSA-N 1 2 312.391 2.022 20 5 DEBDLO Cn1ncnc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602641607 360472546 /nfs/dbraw/zinc/47/25/46/360472546.db2.gz UDEJIOKAIMPTEF-UHFFFAOYSA-N 1 2 315.255 2.032 20 5 DEBDLO CCc1nc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602761853 360540020 /nfs/dbraw/zinc/54/00/20/360540020.db2.gz BJIQDERSAYLSPN-UHFFFAOYSA-N 1 2 309.395 2.251 20 5 DEBDLO CCc1nc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602761853 360540030 /nfs/dbraw/zinc/54/00/30/360540030.db2.gz BJIQDERSAYLSPN-UHFFFAOYSA-N 1 2 309.395 2.251 20 5 DEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCO)c3ccco3)nc2c1 ZINC000444683458 238242911 /nfs/dbraw/zinc/24/29/11/238242911.db2.gz GVVHSNPUCACLMS-GFCCVEGCSA-N 1 2 316.317 2.277 20 5 DEBDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444685154 238245685 /nfs/dbraw/zinc/24/56/85/238245685.db2.gz QHBDJUGDRAZHRX-JTQLQIEISA-N 1 2 314.349 2.398 20 5 DEBDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444685154 238245691 /nfs/dbraw/zinc/24/56/91/238245691.db2.gz QHBDJUGDRAZHRX-JTQLQIEISA-N 1 2 314.349 2.398 20 5 DEBDLO O=C(CCc1c[nH+]c[nH]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000193320233 201030027 /nfs/dbraw/zinc/03/00/27/201030027.db2.gz GJKBLIPDYGFPQZ-UHFFFAOYSA-N 1 2 316.361 2.390 20 5 DEBDLO O=C(CCc1c[nH]c[nH+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000193320233 201030029 /nfs/dbraw/zinc/03/00/29/201030029.db2.gz GJKBLIPDYGFPQZ-UHFFFAOYSA-N 1 2 316.361 2.390 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000610514345 361413525 /nfs/dbraw/zinc/41/35/25/361413525.db2.gz OPDHHGPCGHAPKA-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000610763185 361461537 /nfs/dbraw/zinc/46/15/37/361461537.db2.gz PUSCYCVNXYKQLO-LLVKDONJSA-N 1 2 312.391 2.165 20 5 DEBDLO CC1CC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450030927 241365216 /nfs/dbraw/zinc/36/52/16/241365216.db2.gz ZVBZPMIWLWUGLH-UHFFFAOYSA-N 1 2 300.318 2.309 20 5 DEBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093054625 193198036 /nfs/dbraw/zinc/19/80/36/193198036.db2.gz CBKQEAOQOUIZJK-KEDPEKRHSA-N 1 2 303.362 2.064 20 5 DEBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093054625 193198038 /nfs/dbraw/zinc/19/80/38/193198038.db2.gz CBKQEAOQOUIZJK-KEDPEKRHSA-N 1 2 303.362 2.064 20 5 DEBDLO COc1c(C(=O)Nc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000452329819 244152401 /nfs/dbraw/zinc/15/24/01/244152401.db2.gz CSMJQUPWUSCVJC-UHFFFAOYSA-N 1 2 316.317 2.389 20 5 DEBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000493314760 249275492 /nfs/dbraw/zinc/27/54/92/249275492.db2.gz DOTCDEOTNSZIQA-CPWLGJMPSA-N 1 2 312.329 2.005 20 5 DEBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000493314760 249275495 /nfs/dbraw/zinc/27/54/95/249275495.db2.gz DOTCDEOTNSZIQA-CPWLGJMPSA-N 1 2 312.329 2.005 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1Br ZINC000159421504 197352412 /nfs/dbraw/zinc/35/24/12/197352412.db2.gz UNMYCOBCUJJECQ-SNVBAGLBSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1Br ZINC000159421504 197352414 /nfs/dbraw/zinc/35/24/14/197352414.db2.gz UNMYCOBCUJJECQ-SNVBAGLBSA-N 1 2 315.167 2.314 20 5 DEBDLO CCC[C@@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000109802222 194287146 /nfs/dbraw/zinc/28/71/46/194287146.db2.gz KJQUYQCNHDXLEH-OAHLLOKOSA-N 1 2 310.350 2.295 20 5 DEBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492279407 296320835 /nfs/dbraw/zinc/32/08/35/296320835.db2.gz ZLRJWNZQSMVHHP-NSHDSACASA-N 1 2 323.780 2.445 20 5 DEBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492279407 296320837 /nfs/dbraw/zinc/32/08/37/296320837.db2.gz ZLRJWNZQSMVHHP-NSHDSACASA-N 1 2 323.780 2.445 20 5 DEBDLO O=[N+]([O-])c1c(F)cccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375655495 285076334 /nfs/dbraw/zinc/07/63/34/285076334.db2.gz CRASOEKSPAWVBE-AWEZNQCLSA-N 1 2 320.324 2.407 20 5 DEBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000155361274 197048357 /nfs/dbraw/zinc/04/83/57/197048357.db2.gz IORMWTCUBZZLKO-UHFFFAOYSA-N 1 2 303.274 2.259 20 5 DEBDLO Nc1c(F)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000356207088 133072035 /nfs/dbraw/zinc/07/20/35/133072035.db2.gz ZZHVGIBEIYWESQ-NSHDSACASA-N 1 2 318.308 2.369 20 5 DEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377663998 133339392 /nfs/dbraw/zinc/33/93/92/133339392.db2.gz WNMUFIYFPNBOKW-GFCCVEGCSA-N 1 2 300.318 2.054 20 5 DEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000377663998 133339393 /nfs/dbraw/zinc/33/93/93/133339393.db2.gz WNMUFIYFPNBOKW-GFCCVEGCSA-N 1 2 300.318 2.054 20 5 DEBDLO COc1cccc(C(=O)NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000564774308 292109612 /nfs/dbraw/zinc/10/96/12/292109612.db2.gz ZNFJRQZDDUTBGZ-UHFFFAOYSA-N 1 2 318.333 2.010 20 5 DEBDLO Cc1c(CNC(=O)C[C@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000565048166 292129966 /nfs/dbraw/zinc/12/99/66/292129966.db2.gz NXIIHPHZCRYABL-NSHDSACASA-N 1 2 302.334 2.367 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000246234754 145096143 /nfs/dbraw/zinc/09/61/43/145096143.db2.gz GUYDVYDIUMPLCE-CZUORRHYSA-N 1 2 316.361 2.231 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000246234754 145096144 /nfs/dbraw/zinc/09/61/44/145096144.db2.gz GUYDVYDIUMPLCE-CZUORRHYSA-N 1 2 316.361 2.231 20 5 DEBDLO O=[N+]([O-])c1ccc([C@@H](NCC[NH+]2CCC2)C(F)(F)F)cc1 ZINC000565089359 292132918 /nfs/dbraw/zinc/13/29/18/292132918.db2.gz PPUSBPXODFDEOI-GFCCVEGCSA-N 1 2 303.284 2.494 20 5 DEBDLO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000349369967 146372753 /nfs/dbraw/zinc/37/27/53/146372753.db2.gz QRMPSPFJQWUGIS-SKDRFNHKSA-N 1 2 316.304 2.399 20 5 DEBDLO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000349369967 146372755 /nfs/dbraw/zinc/37/27/55/146372755.db2.gz QRMPSPFJQWUGIS-SKDRFNHKSA-N 1 2 316.304 2.399 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000374331415 148231389 /nfs/dbraw/zinc/23/13/89/148231389.db2.gz KYIJTPDIMKSXSL-JTQLQIEISA-N 1 2 318.308 2.097 20 5 DEBDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375200087 148341979 /nfs/dbraw/zinc/34/19/79/148341979.db2.gz FQAIYMWKRXOTJV-UHFFFAOYSA-N 1 2 319.361 2.036 20 5 DEBDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375200087 148341982 /nfs/dbraw/zinc/34/19/82/148341982.db2.gz FQAIYMWKRXOTJV-UHFFFAOYSA-N 1 2 319.361 2.036 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000071943279 401698950 /nfs/dbraw/zinc/69/89/50/401698950.db2.gz GPMVGERDWLZTJO-OAHLLOKOSA-N 1 2 322.361 2.391 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000071943279 401698953 /nfs/dbraw/zinc/69/89/53/401698953.db2.gz GPMVGERDWLZTJO-OAHLLOKOSA-N 1 2 322.361 2.391 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000129847479 401809953 /nfs/dbraw/zinc/80/99/53/401809953.db2.gz XKRYHJOLTNMTES-CYBMUJFWSA-N 1 2 300.318 2.351 20 5 DEBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119117164 401926872 /nfs/dbraw/zinc/92/68/72/401926872.db2.gz XZGAUBFGMUFKSX-AWEZNQCLSA-N 1 2 323.780 2.491 20 5 DEBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119117164 401926874 /nfs/dbraw/zinc/92/68/74/401926874.db2.gz XZGAUBFGMUFKSX-AWEZNQCLSA-N 1 2 323.780 2.491 20 5 DEBDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607749 401934368 /nfs/dbraw/zinc/93/43/68/401934368.db2.gz DSGSPVMOMURUKA-LBPRGKRZSA-N 1 2 305.378 2.114 20 5 DEBDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607749 401934370 /nfs/dbraw/zinc/93/43/70/401934370.db2.gz DSGSPVMOMURUKA-LBPRGKRZSA-N 1 2 305.378 2.114 20 5 DEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCn1cc[nH+]c1 ZINC000033403198 401890717 /nfs/dbraw/zinc/89/07/17/401890717.db2.gz VRQQRPGZJWVKTK-WAYWQWQTSA-N 1 2 300.318 2.011 20 5 DEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000120554248 401994192 /nfs/dbraw/zinc/99/41/92/401994192.db2.gz COALOSZRXSUEBB-ZDUSSCGKSA-N 1 2 308.334 2.001 20 5 DEBDLO CCOC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000120554248 401994193 /nfs/dbraw/zinc/99/41/93/401994193.db2.gz COALOSZRXSUEBB-ZDUSSCGKSA-N 1 2 308.334 2.001 20 5 DEBDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123433448 402127636 /nfs/dbraw/zinc/12/76/36/402127636.db2.gz JOSFBLCVJKZKDH-LLVKDONJSA-N 1 2 315.329 2.175 20 5 DEBDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123433448 402127640 /nfs/dbraw/zinc/12/76/40/402127640.db2.gz JOSFBLCVJKZKDH-LLVKDONJSA-N 1 2 315.329 2.175 20 5 DEBDLO COc1c(C)c[nH+]c(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)c1C ZINC000153584784 402154656 /nfs/dbraw/zinc/15/46/56/402154656.db2.gz ZGSLVGHHJANBEH-UHFFFAOYSA-N 1 2 323.736 2.479 20 5 DEBDLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000154937938 402238753 /nfs/dbraw/zinc/23/87/53/402238753.db2.gz MFIULUYTWWEIHI-UHFFFAOYSA-N 1 2 302.334 2.262 20 5 DEBDLO CCOC(=O)[C@@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190845723 402627163 /nfs/dbraw/zinc/62/71/63/402627163.db2.gz BMBNSQOVSDHMDE-GFCCVEGCSA-N 1 2 322.361 2.390 20 5 DEBDLO CCOC(=O)[C@@H](C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190845723 402627165 /nfs/dbraw/zinc/62/71/65/402627165.db2.gz BMBNSQOVSDHMDE-GFCCVEGCSA-N 1 2 322.361 2.390 20 5 DEBDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000182846270 402721585 /nfs/dbraw/zinc/72/15/85/402721585.db2.gz ZMSSIFRCZNTXBB-XUJVJEKNSA-N 1 2 322.361 2.227 20 5 DEBDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000182846270 402721588 /nfs/dbraw/zinc/72/15/88/402721588.db2.gz ZMSSIFRCZNTXBB-XUJVJEKNSA-N 1 2 322.361 2.227 20 5 DEBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255393060 402686755 /nfs/dbraw/zinc/68/67/55/402686755.db2.gz WDWJAWFXQDEURE-LYASGUKUSA-N 1 2 303.362 2.209 20 5 DEBDLO CNC(=O)[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255393060 402686759 /nfs/dbraw/zinc/68/67/59/402686759.db2.gz WDWJAWFXQDEURE-LYASGUKUSA-N 1 2 303.362 2.209 20 5 DEBDLO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255768926 402696010 /nfs/dbraw/zinc/69/60/10/402696010.db2.gz HHZPDBOCCLUDSA-VSKVDJIOSA-N 1 2 324.402 2.117 20 5 DEBDLO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255768926 402696014 /nfs/dbraw/zinc/69/60/14/402696014.db2.gz HHZPDBOCCLUDSA-VSKVDJIOSA-N 1 2 324.402 2.117 20 5 DEBDLO Cc1[nH]ncc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271492912 402876382 /nfs/dbraw/zinc/87/63/82/402876382.db2.gz MACOAIIKWNGBFS-JTQLQIEISA-N 1 2 317.349 2.133 20 5 DEBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000266534356 402971758 /nfs/dbraw/zinc/97/17/58/402971758.db2.gz NGFQIDOMZWMXSG-UKRRQHHQSA-N 1 2 322.361 2.236 20 5 DEBDLO COc1ccc(OCC[N@H+]2CCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000266534356 402971760 /nfs/dbraw/zinc/97/17/60/402971760.db2.gz NGFQIDOMZWMXSG-UKRRQHHQSA-N 1 2 322.361 2.236 20 5 DEBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268226161 403063459 /nfs/dbraw/zinc/06/34/59/403063459.db2.gz MQBYRXUTLDHIHY-SNVBAGLBSA-N 1 2 318.308 2.477 20 5 DEBDLO CCOC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000342639707 403293701 /nfs/dbraw/zinc/29/37/01/403293701.db2.gz OIVBLQIPEBZRLG-UHFFFAOYSA-N 1 2 322.361 2.391 20 5 DEBDLO CCOC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000342639707 403293706 /nfs/dbraw/zinc/29/37/06/403293706.db2.gz OIVBLQIPEBZRLG-UHFFFAOYSA-N 1 2 322.361 2.391 20 5 DEBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000285441115 403297095 /nfs/dbraw/zinc/29/70/95/403297095.db2.gz ZAWYIDFRAMDMGD-DTWKUNHWSA-N 1 2 304.354 2.269 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000277809163 403259486 /nfs/dbraw/zinc/25/94/86/403259486.db2.gz PJSQYDDUKYVKJZ-LLVKDONJSA-N 1 2 313.785 2.059 20 5 DEBDLO CC[C@@H](CO)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000342668222 403302582 /nfs/dbraw/zinc/30/25/82/403302582.db2.gz XELSFRYBRFDFSH-AWEZNQCLSA-N 1 2 318.377 2.101 20 5 DEBDLO CC[C@@H](CO)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000342668222 403302585 /nfs/dbraw/zinc/30/25/85/403302585.db2.gz XELSFRYBRFDFSH-AWEZNQCLSA-N 1 2 318.377 2.101 20 5 DEBDLO Cc1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000345689762 403438641 /nfs/dbraw/zinc/43/86/41/403438641.db2.gz JKCDPABJXMCSFZ-ZDUSSCGKSA-N 1 2 300.318 2.351 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000340474165 403622871 /nfs/dbraw/zinc/62/28/71/403622871.db2.gz QVXGGAQEJJQKSC-OAHLLOKOSA-N 1 2 324.344 2.030 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000340869588 403680623 /nfs/dbraw/zinc/68/06/23/403680623.db2.gz DSLCCOIQQOUZOA-LLVKDONJSA-N 1 2 304.354 2.416 20 5 DEBDLO C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000287875682 403684080 /nfs/dbraw/zinc/68/40/80/403684080.db2.gz MVGRFJSCOUDJRZ-NSHDSACASA-N 1 2 312.801 2.296 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(n2cc[nH+]c2)CC1 ZINC000288058714 403716832 /nfs/dbraw/zinc/71/68/32/403716832.db2.gz FVPUPAZJDQOOGO-UHFFFAOYSA-N 1 2 304.354 2.158 20 5 DEBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000368778330 403852262 /nfs/dbraw/zinc/85/22/62/403852262.db2.gz BMBJWZWSEMHYOC-LBPRGKRZSA-N 1 2 320.349 2.405 20 5 DEBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000368778330 403852268 /nfs/dbraw/zinc/85/22/68/403852268.db2.gz BMBJWZWSEMHYOC-LBPRGKRZSA-N 1 2 320.349 2.405 20 5 DEBDLO C[C@H](F)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000351894988 403991037 /nfs/dbraw/zinc/99/10/37/403991037.db2.gz FCJDDGSKFLZYQC-JTQLQIEISA-N 1 2 315.370 2.162 20 5 DEBDLO CC(C)Oc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000412100864 404135579 /nfs/dbraw/zinc/13/55/79/404135579.db2.gz TWPULEIQZXRLSR-UHFFFAOYSA-N 1 2 318.333 2.078 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296263218 404168407 /nfs/dbraw/zinc/16/84/07/404168407.db2.gz HZOJNKZMWVIEBL-RYUDHWBXSA-N 1 2 317.349 2.240 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1 ZINC000355232119 404300321 /nfs/dbraw/zinc/30/03/21/404300321.db2.gz ZLNRNOQHJAIRQH-UHFFFAOYSA-N 1 2 309.329 2.465 20 5 DEBDLO C[NH2+]Cc1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000414495495 404656044 /nfs/dbraw/zinc/65/60/44/404656044.db2.gz BSIJZNUPGOHJOM-UHFFFAOYSA-N 1 2 324.362 2.139 20 5 DEBDLO Cc1nc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000365485601 404672443 /nfs/dbraw/zinc/67/24/43/404672443.db2.gz VGHFGXZEKILCRO-UHFFFAOYSA-N 1 2 301.350 2.467 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc[nH+]cc2C)c1 ZINC000351620447 404675290 /nfs/dbraw/zinc/67/52/90/404675290.db2.gz NHHRDVSGCFKQSJ-UHFFFAOYSA-N 1 2 321.358 2.138 20 5 DEBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330506839 404676273 /nfs/dbraw/zinc/67/62/73/404676273.db2.gz HMWUVZBTTNEMJS-OAHLLOKOSA-N 1 2 307.350 2.479 20 5 DEBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330506839 404676280 /nfs/dbraw/zinc/67/62/80/404676280.db2.gz HMWUVZBTTNEMJS-OAHLLOKOSA-N 1 2 307.350 2.479 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)s1 ZINC000374416994 404706231 /nfs/dbraw/zinc/70/62/31/404706231.db2.gz UNZBNRLVURIJIX-WDEREUQCSA-N 1 2 312.395 2.107 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451331475 404957897 /nfs/dbraw/zinc/95/78/97/404957897.db2.gz NTRHCIDODMYXHT-ZDUSSCGKSA-N 1 2 324.768 2.147 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451331475 404957899 /nfs/dbraw/zinc/95/78/99/404957899.db2.gz NTRHCIDODMYXHT-ZDUSSCGKSA-N 1 2 324.768 2.147 20 5 DEBDLO CO[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353685883 404919588 /nfs/dbraw/zinc/91/95/88/404919588.db2.gz VNISZIDONRZFPI-SMDDNHRTSA-N 1 2 304.350 2.042 20 5 DEBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416336382 405109358 /nfs/dbraw/zinc/10/93/58/405109358.db2.gz ZCEMUXPRGXAKDB-UHFFFAOYSA-N 1 2 321.377 2.247 20 5 DEBDLO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436884114 405157305 /nfs/dbraw/zinc/15/73/05/405157305.db2.gz JPUPJCKYROILTO-RYUDHWBXSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436884114 405157311 /nfs/dbraw/zinc/15/73/11/405157311.db2.gz JPUPJCKYROILTO-RYUDHWBXSA-N 1 2 321.377 2.151 20 5 DEBDLO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000436984387 405174335 /nfs/dbraw/zinc/17/43/35/405174335.db2.gz AWIIABYMWSUARL-NWDGAFQWSA-N 1 2 321.377 2.245 20 5 DEBDLO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000436984387 405174343 /nfs/dbraw/zinc/17/43/43/405174343.db2.gz AWIIABYMWSUARL-NWDGAFQWSA-N 1 2 321.377 2.245 20 5 DEBDLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000420495921 405357440 /nfs/dbraw/zinc/35/74/40/405357440.db2.gz XHUCOFHFIMSCOM-MRVPVSSYSA-N 1 2 310.335 2.100 20 5 DEBDLO CC[N@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000420495921 405357444 /nfs/dbraw/zinc/35/74/44/405357444.db2.gz XHUCOFHFIMSCOM-MRVPVSSYSA-N 1 2 310.335 2.100 20 5 DEBDLO C[N@H+](CCCNC(=O)C1CCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000429558081 405436353 /nfs/dbraw/zinc/43/63/53/405436353.db2.gz SXJDPWRWIHRNDS-UHFFFAOYSA-N 1 2 323.368 2.472 20 5 DEBDLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000429558081 405436356 /nfs/dbraw/zinc/43/63/56/405436356.db2.gz SXJDPWRWIHRNDS-UHFFFAOYSA-N 1 2 323.368 2.472 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429841907 405452764 /nfs/dbraw/zinc/45/27/64/405452764.db2.gz RRILVQSHYOZYQQ-GFCCVEGCSA-N 1 2 316.361 2.274 20 5 DEBDLO Cn1c[nH+]cc1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000557743624 405624701 /nfs/dbraw/zinc/62/47/01/405624701.db2.gz WSRSILWGTDGQHG-UHFFFAOYSA-N 1 2 314.345 2.062 20 5 DEBDLO COc1c(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cccc1[N+](=O)[O-] ZINC000568641491 292357036 /nfs/dbraw/zinc/35/70/36/292357036.db2.gz MVDMZBGXTSGFDM-UHFFFAOYSA-N 1 2 318.333 2.300 20 5 DEBDLO CCC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000457286424 405780002 /nfs/dbraw/zinc/78/00/02/405780002.db2.gz XHOXOKNQBSBIPN-UHFFFAOYSA-N 1 2 300.318 2.263 20 5 DEBDLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557242 405953963 /nfs/dbraw/zinc/95/39/63/405953963.db2.gz BSMSECMPVNDAJU-NXEZZACHSA-N 1 2 320.378 2.089 20 5 DEBDLO C[C@H](c1csnn1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557242 405953971 /nfs/dbraw/zinc/95/39/71/405953971.db2.gz BSMSECMPVNDAJU-NXEZZACHSA-N 1 2 320.378 2.089 20 5 DEBDLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557245 405954727 /nfs/dbraw/zinc/95/47/27/405954727.db2.gz BSMSECMPVNDAJU-VHSXEESVSA-N 1 2 320.378 2.089 20 5 DEBDLO C[C@@H](c1csnn1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557245 405954731 /nfs/dbraw/zinc/95/47/31/405954731.db2.gz BSMSECMPVNDAJU-VHSXEESVSA-N 1 2 320.378 2.089 20 5 DEBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459701934 406010113 /nfs/dbraw/zinc/01/01/13/406010113.db2.gz FKGDIIMTWVMJOP-CYBMUJFWSA-N 1 2 321.377 2.424 20 5 DEBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459701934 406010116 /nfs/dbraw/zinc/01/01/16/406010116.db2.gz FKGDIIMTWVMJOP-CYBMUJFWSA-N 1 2 321.377 2.424 20 5 DEBDLO C[C@@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000515352604 406060737 /nfs/dbraw/zinc/06/07/37/406060737.db2.gz 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1079862048 /nfs/dbraw/zinc/86/20/48/1079862048.db2.gz BIFOZKBYAYWSBH-UHFFFAOYSA-N 1 2 304.354 2.334 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC001655703625 1080013343 /nfs/dbraw/zinc/01/33/43/1080013343.db2.gz PFEDFBUNXJXXIG-UHFFFAOYSA-N 1 2 319.405 2.452 20 5 DEBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](O)C(F)(F)F ZINC001659814903 1080251515 /nfs/dbraw/zinc/25/15/15/1080251515.db2.gz QVQKGUUEJCUANY-KSBSHMNSSA-N 1 2 319.239 2.137 20 5 DEBDLO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC001660031042 1080260356 /nfs/dbraw/zinc/26/03/56/1080260356.db2.gz ODGOUOQKRCQVAP-VIFPVBQESA-N 1 2 305.290 2.220 20 5 DEBDLO COCC(COC)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000702037154 1086401417 /nfs/dbraw/zinc/40/14/17/1086401417.db2.gz MDQWRUXJQAHVOU-UHFFFAOYSA-N 1 2 302.758 2.341 20 5 DEBDLO COCC(COC)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000702037154 1086401409 /nfs/dbraw/zinc/40/14/09/1086401409.db2.gz MDQWRUXJQAHVOU-UHFFFAOYSA-N 1 2 302.758 2.341 20 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282186139 /nfs/dbraw/zinc/18/61/39/282186139.db2.gz KWTIXIJJRBHUTL-NSHDSACASA-N 1 2 300.318 2.405 20 5 DEBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000286609433 219079700 /nfs/dbraw/zinc/07/97/00/219079700.db2.gz BTRGSUKMPGHLNE-NSHDSACASA-N 1 2 312.801 2.296 20 5 DEBDLO CN1CC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000425266530 529794406 /nfs/dbraw/zinc/79/44/06/529794406.db2.gz HHHSKKJMQLMCCS-LLVKDONJSA-N 1 2 314.345 2.423 20 5 DEBDLO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000279659513 215038427 /nfs/dbraw/zinc/03/84/27/215038427.db2.gz CMFHNKNQOUCJPT-NSHDSACASA-N 1 2 300.742 2.332 20 5 DEBDLO COc1cc[nH+]cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000164120067 186149353 /nfs/dbraw/zinc/14/93/53/186149353.db2.gz IZZGTCFDNASPFL-UHFFFAOYSA-N 1 2 301.302 2.488 20 5 DEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC000595468793 358457320 /nfs/dbraw/zinc/45/73/20/358457320.db2.gz MACBPHQVPUAOPS-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC000595468793 358457322 /nfs/dbraw/zinc/45/73/22/358457322.db2.gz MACBPHQVPUAOPS-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO Cc1noc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492624 358463944 /nfs/dbraw/zinc/46/39/44/358463944.db2.gz XVGUPGONKVVHMY-RISCZKNCSA-N 1 2 307.350 2.425 20 5 DEBDLO Cc1noc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492624 358463948 /nfs/dbraw/zinc/46/39/48/358463948.db2.gz XVGUPGONKVVHMY-RISCZKNCSA-N 1 2 307.350 2.425 20 5 DEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072862558 191242826 /nfs/dbraw/zinc/24/28/26/191242826.db2.gz QAFATWICPUJJHD-LLVKDONJSA-N 1 2 309.391 2.361 20 5 DEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072862558 191242828 /nfs/dbraw/zinc/24/28/28/191242828.db2.gz QAFATWICPUJJHD-LLVKDONJSA-N 1 2 309.391 2.361 20 5 DEBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000617879119 363296975 /nfs/dbraw/zinc/29/69/75/363296975.db2.gz FYYASIXPVLVWEQ-ZDSWACCBSA-N 1 2 308.403 2.308 20 5 DEBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000617879119 363296977 /nfs/dbraw/zinc/29/69/77/363296977.db2.gz FYYASIXPVLVWEQ-ZDSWACCBSA-N 1 2 308.403 2.308 20 5 DEBDLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000047976282 354337031 /nfs/dbraw/zinc/33/70/31/354337031.db2.gz XEJXFTCIHGICQQ-UHFFFAOYSA-N 1 2 300.318 2.237 20 5 DEBDLO Cc1cc(N2CCC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825003 354581136 /nfs/dbraw/zinc/58/11/36/354581136.db2.gz UTBLCSRENORYEI-AWEZNQCLSA-N 1 2 314.345 2.321 20 5 DEBDLO O=C(N[C@H]1CCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081024745 355402252 /nfs/dbraw/zinc/40/22/52/355402252.db2.gz HHAMOLXWTDXWCM-NSHDSACASA-N 1 2 318.358 2.016 20 5 DEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000085825744 355496698 /nfs/dbraw/zinc/49/66/98/355496698.db2.gz VSIKNALVSZRYMO-LLVKDONJSA-N 1 2 317.349 2.085 20 5 DEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000085825744 355496701 /nfs/dbraw/zinc/49/67/01/355496701.db2.gz VSIKNALVSZRYMO-LLVKDONJSA-N 1 2 317.349 2.085 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000090631568 355564935 /nfs/dbraw/zinc/56/49/35/355564935.db2.gz IFNKPWLMPYSHFV-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC(n3cc[nH+]c3)C2)c(C(F)(F)F)c1 ZINC000591149672 357680963 /nfs/dbraw/zinc/68/09/63/357680963.db2.gz VRXPVAVUQBFWAK-UHFFFAOYSA-N 1 2 313.239 2.266 20 5 DEBDLO O=C(N[C@@]12C[C@@H]1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597880915 540263148 /nfs/dbraw/zinc/26/31/48/540263148.db2.gz DZYKPDBKLWSGHX-LRDDRELGSA-N 1 2 312.329 2.453 20 5 DEBDLO CCn1nccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000179590105 199060354 /nfs/dbraw/zinc/06/03/54/199060354.db2.gz JBKGXUBWCBQDCI-UHFFFAOYSA-N 1 2 315.377 2.133 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000594494854 358283300 /nfs/dbraw/zinc/28/33/00/358283300.db2.gz JIFRMLTWTIGKCN-CYBMUJFWSA-N 1 2 302.334 2.425 20 5 DEBDLO Cc1noc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595419054 358443202 /nfs/dbraw/zinc/44/32/02/358443202.db2.gz WRDKFFJEMLOJBC-AMXDTQDGSA-N 1 2 323.374 2.101 20 5 DEBDLO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c2[nH+]ccn21 ZINC000596256749 358653233 /nfs/dbraw/zinc/65/32/33/358653233.db2.gz FVLSKWFCADIMGQ-KCJUWKMLSA-N 1 2 301.306 2.008 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2C[C@H]2C1 ZINC000596512590 358703690 /nfs/dbraw/zinc/70/36/90/358703690.db2.gz WKHSKPMRNYWAGJ-GJZGRUSLSA-N 1 2 317.389 2.273 20 5 DEBDLO CC(=O)c1ccc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596427331 358683995 /nfs/dbraw/zinc/68/39/95/358683995.db2.gz FQKDSDSYOYKREO-VXGBXAGGSA-N 1 2 321.377 2.319 20 5 DEBDLO CC(=O)c1ccc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596427331 358683997 /nfs/dbraw/zinc/68/39/97/358683997.db2.gz FQKDSDSYOYKREO-VXGBXAGGSA-N 1 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ZINC000599703235 359580060 /nfs/dbraw/zinc/58/00/60/359580060.db2.gz NXKWTJCYNCNIOP-AWEZNQCLSA-N 1 2 309.341 2.225 20 5 DEBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000601034542 359901543 /nfs/dbraw/zinc/90/15/43/359901543.db2.gz BKSCTZFYHFKYEB-JTQLQIEISA-N 1 2 318.308 2.477 20 5 DEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccns2)CC1 ZINC000602432273 360369652 /nfs/dbraw/zinc/36/96/52/360369652.db2.gz GMGPEZPISYXKMV-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2CO)cc1Br ZINC000602438412 360372252 /nfs/dbraw/zinc/37/22/52/360372252.db2.gz QHBGHHSLFBJOFE-SSDOTTSWSA-N 1 2 321.196 2.376 20 5 DEBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC000602438412 360372262 /nfs/dbraw/zinc/37/22/62/360372262.db2.gz QHBGHHSLFBJOFE-SSDOTTSWSA-N 1 2 321.196 2.376 20 5 DEBDLO CCc1cnc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602778283 360547796 /nfs/dbraw/zinc/54/77/96/360547796.db2.gz AISQPUOTKGUXAI-UHFFFAOYSA-N 1 2 309.395 2.251 20 5 DEBDLO CCc1cnc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602778283 360547799 /nfs/dbraw/zinc/54/77/99/360547799.db2.gz AISQPUOTKGUXAI-UHFFFAOYSA-N 1 2 309.395 2.251 20 5 DEBDLO COc1cc(C[N@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])cc1F ZINC000602939601 360635999 /nfs/dbraw/zinc/63/59/99/360635999.db2.gz BMPABMHGTAJSPW-UHFFFAOYSA-N 1 2 308.313 2.406 20 5 DEBDLO COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])cc1F ZINC000602939601 360636002 /nfs/dbraw/zinc/63/60/02/360636002.db2.gz BMPABMHGTAJSPW-UHFFFAOYSA-N 1 2 308.313 2.406 20 5 DEBDLO Cc1cccn2cc(CC(=O)NCc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000604561626 360918123 /nfs/dbraw/zinc/91/81/23/360918123.db2.gz ANTFHAHWDUZHRH-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131187 361280719 /nfs/dbraw/zinc/28/07/19/361280719.db2.gz JWWMUQFCZBUZQG-OAHLLOKOSA-N 1 2 314.345 2.198 20 5 DEBDLO C=Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000193600595 201083440 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O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cncc(F)c3)CC2)c1 ZINC000275178469 212175338 /nfs/dbraw/zinc/17/53/38/212175338.db2.gz ZPWKTUMLRHKYFL-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000267712615 206234495 /nfs/dbraw/zinc/23/44/95/206234495.db2.gz ISRFSUKWXJVIMZ-LBPRGKRZSA-N 1 2 302.334 2.367 20 5 DEBDLO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456375304 247132572 /nfs/dbraw/zinc/13/25/72/247132572.db2.gz JYEPTTNLCCOOHM-PWSUYJOCSA-N 1 2 300.318 2.156 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456370753 247136940 /nfs/dbraw/zinc/13/69/40/247136940.db2.gz YIASCEDNPOCRSX-SECBINFHSA-N 1 2 304.306 2.008 20 5 DEBDLO O=C(C=Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000492986283 249188348 /nfs/dbraw/zinc/18/83/48/249188348.db2.gz QJLIANWIYGUNDK-JECSTDCCSA-N 1 2 312.329 2.005 20 5 DEBDLO O=C(C=Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000492986283 249188350 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Cc1ccccc1OCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355668386 133041049 /nfs/dbraw/zinc/04/10/49/133041049.db2.gz YULHDEPQKGCIAV-UHFFFAOYSA-N 1 2 304.350 2.148 20 5 DEBDLO Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000361965849 133202137 /nfs/dbraw/zinc/20/21/37/133202137.db2.gz JBNBWIBSNLQHFR-UHFFFAOYSA-N 1 2 300.318 2.350 20 5 DEBDLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255632881 145204824 /nfs/dbraw/zinc/20/48/24/145204824.db2.gz VOTZDPLBQPLJMN-GTBONMDNSA-N 1 2 303.362 2.209 20 5 DEBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255632881 145204828 /nfs/dbraw/zinc/20/48/28/145204828.db2.gz VOTZDPLBQPLJMN-GTBONMDNSA-N 1 2 303.362 2.209 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000349247615 146362824 /nfs/dbraw/zinc/36/28/24/146362824.db2.gz ULBGTLZUXOWLFO-VHSXEESVSA-N 1 2 304.306 2.261 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359482632 147334849 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CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000113438381 401778392 /nfs/dbraw/zinc/77/83/92/401778392.db2.gz JHUUPJUPSLUSEQ-CYBMUJFWSA-N 1 2 321.377 2.295 20 5 DEBDLO CCn1nccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000121350022 402029965 /nfs/dbraw/zinc/02/99/65/402029965.db2.gz UFWOLEXSPUZFPH-UHFFFAOYSA-N 1 2 315.377 2.133 20 5 DEBDLO CCOC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000064246939 402118706 /nfs/dbraw/zinc/11/87/06/402118706.db2.gz OLIHRHMAFLSYGY-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO CCOC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000064246939 402118709 /nfs/dbraw/zinc/11/87/09/402118709.db2.gz OLIHRHMAFLSYGY-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)(C)O1 ZINC000068477982 402199591 /nfs/dbraw/zinc/19/95/91/402199591.db2.gz ZTOGTASCTGDLJR-NSHDSACASA-N 1 2 322.361 2.461 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)(C)O1 ZINC000068477982 402199594 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COCC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185819316 402379877 /nfs/dbraw/zinc/37/98/77/402379877.db2.gz BXKMMBRXAIILIA-LBPRGKRZSA-N 1 2 319.361 2.200 20 5 DEBDLO COCC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185819316 402379880 /nfs/dbraw/zinc/37/98/80/402379880.db2.gz BXKMMBRXAIILIA-LBPRGKRZSA-N 1 2 319.361 2.200 20 5 DEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])s1 ZINC000178352821 402487992 /nfs/dbraw/zinc/48/79/92/402487992.db2.gz GMVIGOUAXWRFDR-UHFFFAOYSA-N 1 2 302.315 2.234 20 5 DEBDLO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182938903 402728322 /nfs/dbraw/zinc/72/83/22/402728322.db2.gz LJCLVVBCPNNLNH-LBPRGKRZSA-N 1 2 314.407 2.331 20 5 DEBDLO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182938903 402728324 /nfs/dbraw/zinc/72/83/24/402728324.db2.gz LJCLVVBCPNNLNH-LBPRGKRZSA-N 1 2 314.407 2.331 20 5 DEBDLO C=Cn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000193608699 402773762 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NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000368970874 403921961 /nfs/dbraw/zinc/92/19/61/403921961.db2.gz ADKKSFDDSBYFIE-IUPBHXKESA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000368970874 403921969 /nfs/dbraw/zinc/92/19/69/403921969.db2.gz ADKKSFDDSBYFIE-IUPBHXKESA-N 1 2 323.780 2.334 20 5 DEBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341476343 403990855 /nfs/dbraw/zinc/99/08/55/403990855.db2.gz UKXOLMVRSXOYIF-VIFPVBQESA-N 1 2 308.313 2.327 20 5 DEBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362854420 403993910 /nfs/dbraw/zinc/99/39/10/403993910.db2.gz XWWLYVCGGQSZDL-CYBMUJFWSA-N 1 2 303.366 2.394 20 5 DEBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362854420 403993917 /nfs/dbraw/zinc/99/39/17/403993917.db2.gz XWWLYVCGGQSZDL-CYBMUJFWSA-N 1 2 303.366 2.394 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337418644 404010067 /nfs/dbraw/zinc/01/00/67/404010067.db2.gz VJQTWTZQFZFTIG-LDCOFTPGSA-N 1 2 324.402 2.117 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337418644 404010073 /nfs/dbraw/zinc/01/00/73/404010073.db2.gz VJQTWTZQFZFTIG-LDCOFTPGSA-N 1 2 324.402 2.117 20 5 DEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000348246355 404054628 /nfs/dbraw/zinc/05/46/28/404054628.db2.gz LOULEWZGIBLDHV-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000348246355 404054630 /nfs/dbraw/zinc/05/46/30/404054630.db2.gz LOULEWZGIBLDHV-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO CC(C)[NH+]1CC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000352083233 404132610 /nfs/dbraw/zinc/13/26/10/404132610.db2.gz GGMARMKEGROFDP-NSHDSACASA-N 1 2 323.418 2.284 20 5 DEBDLO CC(C)[NH+]1CC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000352083232 404132875 /nfs/dbraw/zinc/13/28/75/404132875.db2.gz GGMARMKEGROFDP-LLVKDONJSA-N 1 2 323.418 2.284 20 5 DEBDLO CCc1nocc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000350219027 404347723 /nfs/dbraw/zinc/34/77/23/404347723.db2.gz KSECNHDDZKCAMJ-UHFFFAOYSA-N 1 2 316.361 2.467 20 5 DEBDLO CC(C)c1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000370061850 404321245 /nfs/dbraw/zinc/32/12/45/404321245.db2.gz WEURABWZPVLUNQ-UHFFFAOYSA-N 1 2 320.353 2.135 20 5 DEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000370954628 404428243 /nfs/dbraw/zinc/42/82/43/404428243.db2.gz UYQGOBPSNGRUTF-ZDUSSCGKSA-N 1 2 314.345 2.407 20 5 DEBDLO COc1cc(C[NH2+]Cc2ccc(F)cn2)c([N+](=O)[O-])cc1O ZINC000344909866 404440460 /nfs/dbraw/zinc/44/04/60/404440460.db2.gz ULOMEPPHIXMVCY-UHFFFAOYSA-N 1 2 307.281 2.133 20 5 DEBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567516881 292319763 /nfs/dbraw/zinc/31/97/63/292319763.db2.gz MCYNLEYBEWHHGI-AWEZNQCLSA-N 1 2 309.753 2.103 20 5 DEBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567516881 292319766 /nfs/dbraw/zinc/31/97/66/292319766.db2.gz MCYNLEYBEWHHGI-AWEZNQCLSA-N 1 2 309.753 2.103 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCn2c[nH+]cc2C1 ZINC000365701623 404708348 /nfs/dbraw/zinc/70/83/48/404708348.db2.gz BPQPDWXSTIZHAF-UHFFFAOYSA-N 1 2 306.709 2.101 20 5 DEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353340072 404806760 /nfs/dbraw/zinc/80/67/60/404806760.db2.gz UIYRCOLHDWSPNV-SECBINFHSA-N 1 2 319.296 2.136 20 5 DEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353340072 404806761 /nfs/dbraw/zinc/80/67/61/404806761.db2.gz UIYRCOLHDWSPNV-SECBINFHSA-N 1 2 319.296 2.136 20 5 DEBDLO CCOCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353442241 404831905 /nfs/dbraw/zinc/83/19/05/404831905.db2.gz PGHCGHRZDAQNMH-CQSZACIVSA-N 1 2 304.350 2.044 20 5 DEBDLO COc1c(C)c[nH+]c(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c1C ZINC000353737404 404949267 /nfs/dbraw/zinc/94/92/67/404949267.db2.gz LLZVHDZIJNVOAZ-UHFFFAOYSA-N 1 2 323.736 2.479 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361410052 405061427 /nfs/dbraw/zinc/06/14/27/405061427.db2.gz ZLYWRMIAEABDCY-LLVKDONJSA-N 1 2 316.304 2.053 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361410052 405061433 /nfs/dbraw/zinc/06/14/33/405061433.db2.gz ZLYWRMIAEABDCY-LLVKDONJSA-N 1 2 316.304 2.053 20 5 DEBDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452037291 405134781 /nfs/dbraw/zinc/13/47/81/405134781.db2.gz KODCNOMHKRVMBL-LBPRGKRZSA-N 1 2 307.350 2.034 20 5 DEBDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452037291 405134785 /nfs/dbraw/zinc/13/47/85/405134785.db2.gz KODCNOMHKRVMBL-LBPRGKRZSA-N 1 2 307.350 2.034 20 5 DEBDLO COC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000439767943 405291849 /nfs/dbraw/zinc/29/18/49/405291849.db2.gz CZOXJLMTZZVNRS-DOMBMUJNSA-N 1 2 306.362 2.344 20 5 DEBDLO COC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000439767943 405291851 /nfs/dbraw/zinc/29/18/51/405291851.db2.gz CZOXJLMTZZVNRS-DOMBMUJNSA-N 1 2 306.362 2.344 20 5 DEBDLO NC(=O)CC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000420612071 405361386 /nfs/dbraw/zinc/36/13/86/405361386.db2.gz TVNZXFYGDFQCEJ-UHFFFAOYSA-N 1 2 300.318 2.211 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000421777051 405643619 /nfs/dbraw/zinc/64/36/19/405643619.db2.gz WYUYHTRHUVGITL-LLVKDONJSA-N 1 2 316.361 2.474 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494454113 405701762 /nfs/dbraw/zinc/70/17/62/405701762.db2.gz OQQNAEVVXKIWRB-TZMCWYRMSA-N 1 2 319.361 2.491 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494454113 405701768 /nfs/dbraw/zinc/70/17/68/405701768.db2.gz OQQNAEVVXKIWRB-TZMCWYRMSA-N 1 2 319.361 2.491 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000567624347 406107597 /nfs/dbraw/zinc/10/75/97/406107597.db2.gz MNDMUFSWGUSOFV-SNVBAGLBSA-N 1 2 300.318 2.086 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000567624347 406107602 /nfs/dbraw/zinc/10/76/02/406107602.db2.gz MNDMUFSWGUSOFV-SNVBAGLBSA-N 1 2 300.318 2.086 20 5 DEBDLO Cc1csc(C2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCC2)n1 ZINC000548626757 406532831 /nfs/dbraw/zinc/53/28/31/406532831.db2.gz SPRPGNQLLBDKFB-UHFFFAOYSA-N 1 2 307.379 2.262 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](F)C1 ZINC000569937457 292453741 /nfs/dbraw/zinc/45/37/41/292453741.db2.gz UZJXHXDWEKVYEN-LBPRGKRZSA-N 1 2 318.308 2.355 20 5 DEBDLO COc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000294886104 533679200 /nfs/dbraw/zinc/67/92/00/533679200.db2.gz WACVXELCEPDKLL-UHFFFAOYSA-N 1 2 305.338 2.135 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(Cl)cnn1C ZINC000131202180 196149325 /nfs/dbraw/zinc/14/93/25/196149325.db2.gz RJXGXFDRQISZIW-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2CCOC)ccc1[N+](=O)[O-] ZINC000291350097 222332392 /nfs/dbraw/zinc/33/23/92/222332392.db2.gz XUCSRRQPIQGMKJ-AWEZNQCLSA-N 1 2 324.377 2.231 20 5 DEBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2CCOC)ccc1[N+](=O)[O-] ZINC000291350097 222332396 /nfs/dbraw/zinc/33/23/96/222332396.db2.gz XUCSRRQPIQGMKJ-AWEZNQCLSA-N 1 2 324.377 2.231 20 5 DEBDLO Cc1cccc2[nH+]c(CNc3ccc4ncc([N+](=O)[O-])n4n3)cn21 ZINC000301965599 230007954 /nfs/dbraw/zinc/00/79/54/230007954.db2.gz KEOVDGZFTDEZAV-UHFFFAOYSA-N 1 2 323.316 2.206 20 5 DEBDLO O=[N+]([O-])c1cnc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000302144343 230122531 /nfs/dbraw/zinc/12/25/31/230122531.db2.gz GUDWIWZUXYOORN-UHFFFAOYSA-N 1 2 310.317 2.242 20 5 DEBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])cc1C)CCC2 ZINC000366689407 424864330 /nfs/dbraw/zinc/86/43/30/424864330.db2.gz QTLKCWQZEHHGEL-LBPRGKRZSA-N 1 2 301.350 2.793 20 5 DEBDLO O=[N+]([O-])c1cnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000337006002 424927848 /nfs/dbraw/zinc/92/78/48/424927848.db2.gz AZYKEDOOYJSCFB-UHFFFAOYSA-N 1 2 301.331 3.054 20 5 DEBDLO Cn1c2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2[nH+]c1C1CC1 ZINC000577650379 424954290 /nfs/dbraw/zinc/95/42/90/424954290.db2.gz PMHGDKDJUKIIMN-UHFFFAOYSA-N 1 2 324.344 2.761 20 5 DEBDLO Cc1c(NC(=O)NCc2ccc(N)[nH+]c2)cccc1[N+](=O)[O-] ZINC000448541038 425058547 /nfs/dbraw/zinc/05/85/47/425058547.db2.gz DJTJZGSJKAYGSD-UHFFFAOYSA-N 1 2 301.306 2.202 20 5 DEBDLO Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000028833076 267363735 /nfs/dbraw/zinc/36/37/35/267363735.db2.gz UCASBAKTPDXSLR-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ncnn1C ZINC000278652391 278383512 /nfs/dbraw/zinc/38/35/12/278383512.db2.gz IENARTUDCVQGBU-YGRLFVJLSA-N 1 2 301.350 2.452 20 5 DEBDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332237106 281331366 /nfs/dbraw/zinc/33/13/66/281331366.db2.gz SSLFRSJMGAEAFP-MRXNPFEDSA-N 1 2 322.361 2.462 20 5 DEBDLO CC[C@]1(C)COCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332237106 281331370 /nfs/dbraw/zinc/33/13/70/281331370.db2.gz SSLFRSJMGAEAFP-MRXNPFEDSA-N 1 2 322.361 2.462 20 5 DEBDLO CCC[N@@H+](CC(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000133320049 282013411 /nfs/dbraw/zinc/01/34/11/282013411.db2.gz OKBRYZUERXTXII-LBPRGKRZSA-N 1 2 318.320 2.312 20 5 DEBDLO CCC[N@H+](CC(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000133320049 282013413 /nfs/dbraw/zinc/01/34/13/282013413.db2.gz OKBRYZUERXTXII-LBPRGKRZSA-N 1 2 318.320 2.312 20 5 DEBDLO C[NH+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294215231 290028994 /nfs/dbraw/zinc/02/89/94/290028994.db2.gz JTTDXKIELOCFSR-UHFFFAOYSA-N 1 2 317.267 2.001 20 5 DEBDLO Cc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000292517238 301336002 /nfs/dbraw/zinc/33/60/02/301336002.db2.gz GVSBMTPBZBDHTP-CYBMUJFWSA-N 1 2 323.368 2.343 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc([N+](=O)[O-])cc2F)CC1(C)C ZINC000413314326 303001183 /nfs/dbraw/zinc/00/11/83/303001183.db2.gz MMWZEDSYMDNCIS-NSHDSACASA-N 1 2 305.313 2.450 20 5 DEBDLO Cc1noc([C@@H](C)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000575427557 326238875 /nfs/dbraw/zinc/23/88/75/326238875.db2.gz UWUNWAYURMIMRN-SNVBAGLBSA-N 1 2 306.322 2.358 20 5 DEBDLO Cc1noc([C@@H](C)[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000575427557 326238877 /nfs/dbraw/zinc/23/88/77/326238877.db2.gz UWUNWAYURMIMRN-SNVBAGLBSA-N 1 2 306.322 2.358 20 5 DEBDLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000575921448 326256082 /nfs/dbraw/zinc/25/60/82/326256082.db2.gz BPTDLXQGCVBRDU-ZDUSSCGKSA-N 1 2 316.361 2.444 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000583459316 333358365 /nfs/dbraw/zinc/35/83/65/333358365.db2.gz IXVSEKNFGTZESK-NSHDSACASA-N 1 2 302.334 2.057 20 5 DEBDLO CN1CC[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001330202352 1149067934 /nfs/dbraw/zinc/06/79/34/1149067934.db2.gz LTWXMCKSRDGIPJ-UHFFFAOYSA-N 1 2 310.373 2.172 20 5 DEBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293151408 528746261 /nfs/dbraw/zinc/74/62/61/528746261.db2.gz OFWPZLKGYBUHAT-HNNXBMFYSA-N 1 2 321.377 2.280 20 5 DEBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293151408 528746264 /nfs/dbraw/zinc/74/62/64/528746264.db2.gz OFWPZLKGYBUHAT-HNNXBMFYSA-N 1 2 321.377 2.280 20 5 DEBDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000330734720 528748865 /nfs/dbraw/zinc/74/88/65/528748865.db2.gz LBSSNBJOBNVSAE-AWEZNQCLSA-N 1 2 307.350 2.335 20 5 DEBDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000330734720 528748877 /nfs/dbraw/zinc/74/88/77/528748877.db2.gz LBSSNBJOBNVSAE-AWEZNQCLSA-N 1 2 307.350 2.335 20 5 DEBDLO CCOCCOC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413240388 528787749 /nfs/dbraw/zinc/78/77/49/528787749.db2.gz RZMKDQKGVXOPPM-UHFFFAOYSA-N 1 2 317.345 2.385 20 5 DEBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189036301 535764766 /nfs/dbraw/zinc/76/47/66/535764766.db2.gz VTAPBIFZCGSUBP-MRXNPFEDSA-N 1 2 305.378 2.394 20 5 DEBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189036301 535764770 /nfs/dbraw/zinc/76/47/70/535764770.db2.gz VTAPBIFZCGSUBP-MRXNPFEDSA-N 1 2 305.378 2.394 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000450825787 536117425 /nfs/dbraw/zinc/11/74/25/536117425.db2.gz FIWFPDAXQYEICH-SNVBAGLBSA-N 1 2 317.349 2.344 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000456349466 536122142 /nfs/dbraw/zinc/12/21/42/536122142.db2.gz LFLQCJFXLSGZBX-NSHDSACASA-N 1 2 302.334 2.231 20 5 DEBDLO CC[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)O ZINC000450788596 536143226 /nfs/dbraw/zinc/14/32/26/536143226.db2.gz CHXAFNGXBPRHJD-RISCZKNCSA-N 1 2 316.361 2.353 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933664920 624591156 /nfs/dbraw/zinc/59/11/56/624591156.db2.gz HOMXEGWFVJRJOG-ZFWWWQNUSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933664920 624591161 /nfs/dbraw/zinc/59/11/61/624591161.db2.gz HOMXEGWFVJRJOG-ZFWWWQNUSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)CC2)c1Br ZINC000236474401 625130883 /nfs/dbraw/zinc/13/08/83/625130883.db2.gz BQIABVMZRXNSPX-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837682498 650247151 /nfs/dbraw/zinc/24/71/51/650247151.db2.gz UKMSSYOFJNBHDK-QWRGUYRKSA-N 1 2 308.334 2.216 20 5 DEBDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837682497 650247278 /nfs/dbraw/zinc/24/72/78/650247278.db2.gz UKMSSYOFJNBHDK-PHIMTYICSA-N 1 2 308.334 2.216 20 5 DEBDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837682497 650247284 /nfs/dbraw/zinc/24/72/84/650247284.db2.gz UKMSSYOFJNBHDK-PHIMTYICSA-N 1 2 308.334 2.216 20 5 DEBDLO CON(C)C(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000895046706 637398855 /nfs/dbraw/zinc/39/88/55/637398855.db2.gz QVKDTIQRWWHWLW-UHFFFAOYSA-N 1 2 322.148 2.011 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742195380 638043031 /nfs/dbraw/zinc/04/30/31/638043031.db2.gz HCYKYBBDCIDERC-RYUDHWBXSA-N 1 2 323.418 2.238 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742195380 638043037 /nfs/dbraw/zinc/04/30/37/638043037.db2.gz HCYKYBBDCIDERC-RYUDHWBXSA-N 1 2 323.418 2.238 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000895703519 638153047 /nfs/dbraw/zinc/15/30/47/638153047.db2.gz DRQHPHFEQCUFBJ-NSHDSACASA-N 1 2 302.334 2.227 20 5 DEBDLO O=C(CCCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000748616908 638579637 /nfs/dbraw/zinc/57/96/37/638579637.db2.gz DJJQCUNOZNVASS-UHFFFAOYSA-N 1 2 310.260 2.488 20 5 DEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000755042608 639509046 /nfs/dbraw/zinc/50/90/46/639509046.db2.gz XLDBIXJYDWMBKX-SRXBQZRASA-N 1 2 314.345 2.400 20 5 DEBDLO O=C(CCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756996577 639725989 /nfs/dbraw/zinc/72/59/89/639725989.db2.gz HIJXPVUKSLWLSB-UHFFFAOYSA-N 1 2 308.725 2.151 20 5 DEBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762062647 640381360 /nfs/dbraw/zinc/38/13/60/640381360.db2.gz YBYJWBHFZHDZLJ-CYBMUJFWSA-N 1 2 317.349 2.031 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548405 641096188 /nfs/dbraw/zinc/09/61/88/641096188.db2.gz BVIOXKVSDSLVQB-MNOVXSKESA-N 1 2 309.753 2.101 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548405 641096192 /nfs/dbraw/zinc/09/61/92/641096192.db2.gz BVIOXKVSDSLVQB-MNOVXSKESA-N 1 2 309.753 2.101 20 5 DEBDLO O=[N+]([O-])c1cc(-c2nc(-c3cocn3)no2)ccc1-n1cc[nH+]c1 ZINC000771354790 641498480 /nfs/dbraw/zinc/49/84/80/641498480.db2.gz MEVWEHVSBZXFOT-UHFFFAOYSA-N 1 2 324.256 2.486 20 5 DEBDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898484131 641672915 /nfs/dbraw/zinc/67/29/15/641672915.db2.gz PVSPKWFEKGEKLX-CYBMUJFWSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898484131 641672919 /nfs/dbraw/zinc/67/29/19/641672919.db2.gz PVSPKWFEKGEKLX-CYBMUJFWSA-N 1 2 309.341 2.067 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000774701006 641947403 /nfs/dbraw/zinc/94/74/03/641947403.db2.gz FKDIAVJZLBVOFK-MRXNPFEDSA-N 1 2 314.345 2.270 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000774701006 641947410 /nfs/dbraw/zinc/94/74/10/641947410.db2.gz FKDIAVJZLBVOFK-MRXNPFEDSA-N 1 2 314.345 2.270 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1C ZINC000900785826 642470483 /nfs/dbraw/zinc/47/04/83/642470483.db2.gz GNIMCRYLBCICGH-NSHDSACASA-N 1 2 316.361 2.474 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000779886038 642554655 /nfs/dbraw/zinc/55/46/55/642554655.db2.gz UAGVNPPLUUIMBY-CYBMUJFWSA-N 1 2 302.334 2.150 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000779886038 642554657 /nfs/dbraw/zinc/55/46/57/642554657.db2.gz UAGVNPPLUUIMBY-CYBMUJFWSA-N 1 2 302.334 2.150 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000793250699 644215932 /nfs/dbraw/zinc/21/59/32/644215932.db2.gz JXUDPZUEPKJCSJ-UHFFFAOYSA-N 1 2 309.709 2.381 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000822861012 648305440 /nfs/dbraw/zinc/30/54/40/648305440.db2.gz HHUINVAIZUQYGC-LBPRGKRZSA-N 1 2 314.345 2.153 20 5 DEBDLO C[C@@H](CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845279695 651226755 /nfs/dbraw/zinc/22/67/55/651226755.db2.gz XTXYXEAROBKSFU-NSHDSACASA-N 1 2 317.301 2.169 20 5 DEBDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850499475 651940171 /nfs/dbraw/zinc/94/01/71/651940171.db2.gz QFWQYMDKCZNZCM-VDDIYKPWSA-N 1 2 302.338 2.125 20 5 DEBDLO O=C(NCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1Cl ZINC000160370007 684326996 /nfs/dbraw/zinc/32/69/96/684326996.db2.gz BSIAUVOQGJSFBV-UHFFFAOYSA-N 1 2 308.725 2.265 20 5 DEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1Cl ZINC000861664333 686166598 /nfs/dbraw/zinc/16/65/98/686166598.db2.gz ITAXVTIZEANSNP-SECBINFHSA-N 1 2 320.736 2.190 20 5 DEBDLO O=[N+]([O-])c1c(N[C@H]2CCC[N@H+](CCF)C2)nc2sccn21 ZINC000865928488 687382251 /nfs/dbraw/zinc/38/22/51/687382251.db2.gz ZFUTVSVHOPAPBD-VIFPVBQESA-N 1 2 313.358 2.150 20 5 DEBDLO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+](CCF)C2)nc2sccn21 ZINC000865928488 687382254 /nfs/dbraw/zinc/38/22/54/687382254.db2.gz ZFUTVSVHOPAPBD-VIFPVBQESA-N 1 2 313.358 2.150 20 5 DEBDLO CCCCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC ZINC000877468924 690123125 /nfs/dbraw/zinc/12/31/25/690123125.db2.gz HVZGQMWIZQRABV-YIZWMMSDSA-N 1 2 324.381 2.206 20 5 DEBDLO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000879494068 690653858 /nfs/dbraw/zinc/65/38/58/690653858.db2.gz ZSSGTZHFBHNQSQ-OAHLLOKOSA-N 1 2 321.352 2.210 20 5 DEBDLO NC(=O)[C@@H](C1CC1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000879494068 690653859 /nfs/dbraw/zinc/65/38/59/690653859.db2.gz ZSSGTZHFBHNQSQ-OAHLLOKOSA-N 1 2 321.352 2.210 20 5 DEBDLO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880295342 690861376 /nfs/dbraw/zinc/86/13/76/690861376.db2.gz SGCALGUQTCQNPO-VIFPVBQESA-N 1 2 315.732 2.478 20 5 DEBDLO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880295342 690861378 /nfs/dbraw/zinc/86/13/78/690861378.db2.gz SGCALGUQTCQNPO-VIFPVBQESA-N 1 2 315.732 2.478 20 5 DEBDLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880437506 690898579 /nfs/dbraw/zinc/89/85/79/690898579.db2.gz LXRJRKASMVBBQG-KBPBESRZSA-N 1 2 316.304 2.109 20 5 DEBDLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880437506 690898584 /nfs/dbraw/zinc/89/85/84/690898584.db2.gz LXRJRKASMVBBQG-KBPBESRZSA-N 1 2 316.304 2.109 20 5 DEBDLO O=[N+]([O-])c1ncccc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000885929119 691964840 /nfs/dbraw/zinc/96/48/40/691964840.db2.gz KWJDCHXLOHDWFI-UHFFFAOYSA-N 1 2 318.402 2.369 20 5 DEBDLO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000886595651 692124250 /nfs/dbraw/zinc/12/42/50/692124250.db2.gz MTDSOINIXQSBKT-CQSZACIVSA-N 1 2 321.377 2.103 20 5 DEBDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000886595651 692124253 /nfs/dbraw/zinc/12/42/53/692124253.db2.gz MTDSOINIXQSBKT-CQSZACIVSA-N 1 2 321.377 2.103 20 5 DEBDLO CN(C)C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001335460808 1150423108 /nfs/dbraw/zinc/42/31/08/1150423108.db2.gz RITNKCVGDSNCRA-GFCCVEGCSA-N 1 2 305.300 2.174 20 5 DEBDLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001348946875 1151212760 /nfs/dbraw/zinc/21/27/60/1151212760.db2.gz OLOAWZQPEPFTHC-ZIAGYGMSSA-N 1 2 312.329 2.006 20 5 DEBDLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001348946875 1151212761 /nfs/dbraw/zinc/21/27/61/1151212761.db2.gz OLOAWZQPEPFTHC-ZIAGYGMSSA-N 1 2 312.329 2.006 20 5 DEBDLO C[C@@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001349983190 1151313751 /nfs/dbraw/zinc/31/37/51/1151313751.db2.gz RJRVTZSHBOTQOV-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001349983190 1151313756 /nfs/dbraw/zinc/31/37/56/1151313756.db2.gz RJRVTZSHBOTQOV-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO Cc1ccc(NC(=O)[C@@H]2[NH2+]CCc3occc32)cc1[N+](=O)[O-] ZINC001356631757 1152097055 /nfs/dbraw/zinc/09/70/55/1152097055.db2.gz KZMPSQNXJZQEOJ-CQSZACIVSA-N 1 2 301.302 2.322 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001333284407 1150025981 /nfs/dbraw/zinc/02/59/81/1150025981.db2.gz JFWMHUOJJUCPRX-JTQLQIEISA-N 1 2 304.306 2.390 20 5 DEBDLO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1noc(C)n1 ZINC001169111489 785056863 /nfs/dbraw/zinc/05/68/63/785056863.db2.gz JPJVYGWWKLBVQF-LLVKDONJSA-N 1 2 306.322 2.406 20 5 DEBDLO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC001170313313 786904000 /nfs/dbraw/zinc/90/40/00/786904000.db2.gz KZKRILWSNFZYHU-FZMZJTMJSA-N 1 2 324.377 2.466 20 5 DEBDLO CCOC(=O)C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354502 786917817 /nfs/dbraw/zinc/91/78/17/786917817.db2.gz MIGFTUCDIVMZPT-GFCCVEGCSA-N 1 2 324.377 2.419 20 5 DEBDLO CCOC(=O)C[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354502 786917821 /nfs/dbraw/zinc/91/78/21/786917821.db2.gz MIGFTUCDIVMZPT-GFCCVEGCSA-N 1 2 324.377 2.419 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC3(COC3)C2)c1F ZINC001173186760 793622168 /nfs/dbraw/zinc/62/21/68/793622168.db2.gz UGFRGKJOVSANQJ-SNVBAGLBSA-N 1 2 310.325 2.006 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001176524782 794447162 /nfs/dbraw/zinc/44/71/62/794447162.db2.gz UKZZPEDXNUKDHW-LLVKDONJSA-N 1 2 300.318 2.080 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001176524782 794447165 /nfs/dbraw/zinc/44/71/65/794447165.db2.gz UKZZPEDXNUKDHW-LLVKDONJSA-N 1 2 300.318 2.080 20 5 DEBDLO Cc1c(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC001178916952 795030145 /nfs/dbraw/zinc/03/01/45/795030145.db2.gz FIQLISYKKGFYQN-UHFFFAOYSA-N 1 2 314.345 2.435 20 5 DEBDLO CCOC(=O)c1ccnc(NCc2c[nH+]c(CC)[nH]2)c1[N+](=O)[O-] ZINC001187739745 796572235 /nfs/dbraw/zinc/57/22/35/796572235.db2.gz HHBKQBXZLKSCBJ-UHFFFAOYSA-N 1 2 319.321 2.064 20 5 DEBDLO CCOC(=O)c1ccnc(NCc2c[nH]c(CC)[nH+]2)c1[N+](=O)[O-] ZINC001187739745 796572237 /nfs/dbraw/zinc/57/22/37/796572237.db2.gz HHBKQBXZLKSCBJ-UHFFFAOYSA-N 1 2 319.321 2.064 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c[nH+]1 ZINC001156538112 798023824 /nfs/dbraw/zinc/02/38/24/798023824.db2.gz KXDOJERGRIRBCL-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[nH+]1 ZINC001156538112 798023831 /nfs/dbraw/zinc/02/38/31/798023831.db2.gz KXDOJERGRIRBCL-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc3ccc4cccnc4c3n2)C[NH2+]1 ZINC001158254497 798367342 /nfs/dbraw/zinc/36/73/42/798367342.db2.gz SXFOKLAEAUCQBC-KGLIPLIRSA-N 1 2 322.368 2.098 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC001160727121 798730741 /nfs/dbraw/zinc/73/07/41/798730741.db2.gz WMTUYHPEKAIMDZ-ZIAGYGMSSA-N 1 2 320.393 2.272 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001137140437 799207251 /nfs/dbraw/zinc/20/72/51/799207251.db2.gz ZYFMDNBWIGXMPP-UHFFFAOYSA-N 1 2 306.297 2.014 20 5 DEBDLO Cc1c(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000933532265 800115400 /nfs/dbraw/zinc/11/54/00/800115400.db2.gz LJLXKGNOWHTEQZ-INIZCTEOSA-N 1 2 316.361 2.210 20 5 DEBDLO Cc1c(C[N@H+]2CCO[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000933532265 800115404 /nfs/dbraw/zinc/11/54/04/800115404.db2.gz LJLXKGNOWHTEQZ-INIZCTEOSA-N 1 2 316.361 2.210 20 5 DEBDLO Cc1c(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000933532266 800115907 /nfs/dbraw/zinc/11/59/07/800115907.db2.gz LJLXKGNOWHTEQZ-MRXNPFEDSA-N 1 2 316.361 2.210 20 5 DEBDLO Cc1c(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000933532266 800115913 /nfs/dbraw/zinc/11/59/13/800115913.db2.gz LJLXKGNOWHTEQZ-MRXNPFEDSA-N 1 2 316.361 2.210 20 5 DEBDLO O=[N+]([O-])c1cccc(Br)c1O[C@H]1C[NH2+]CC1(F)F ZINC001218233318 802158147 /nfs/dbraw/zinc/15/81/47/802158147.db2.gz ZPZYYCKKHNRGIO-QMMMGPOBSA-N 1 2 323.093 2.343 20 5 DEBDLO Cn1cc[nH+]c1CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001346407864 1150982453 /nfs/dbraw/zinc/98/24/53/1150982453.db2.gz CBLVCKQPFXVILK-UHFFFAOYSA-N 1 2 322.752 2.231 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC001527008804 1070388646 /nfs/dbraw/zinc/38/86/46/1070388646.db2.gz ZFLPMUUMIPTWPI-UHFFFAOYSA-N 1 2 304.306 2.210 20 5 DEBDLO CC(C)c1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[nH+]1 ZINC001456342799 1057847032 /nfs/dbraw/zinc/84/70/32/1057847032.db2.gz HJKDQSWBGHFOAJ-UHFFFAOYSA-N 1 2 321.312 2.093 20 5 DEBDLO CC(C)c1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c[nH+]1 ZINC001456342799 1057847036 /nfs/dbraw/zinc/84/70/36/1057847036.db2.gz HJKDQSWBGHFOAJ-UHFFFAOYSA-N 1 2 321.312 2.093 20 5 DEBDLO Cc1nnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1C ZINC001473972475 1060782779 /nfs/dbraw/zinc/78/27/79/1060782779.db2.gz YVNANTFPHRDITP-UHFFFAOYSA-N 1 2 303.366 2.445 20 5 DEBDLO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCCn1cc[nH+]c1 ZINC001611735923 1078105270 /nfs/dbraw/zinc/10/52/70/1078105270.db2.gz TUQWARQFTQHPTL-UHFFFAOYSA-N 1 2 315.308 2.403 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001635606744 1078454659 /nfs/dbraw/zinc/45/46/59/1078454659.db2.gz PNJXTAXCNZEWMW-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC001635606744 1078454660 /nfs/dbraw/zinc/45/46/60/1078454660.db2.gz PNJXTAXCNZEWMW-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(s1)C[NH2+]CC2 ZINC001580761502 1075988128 /nfs/dbraw/zinc/98/81/28/1075988128.db2.gz SRDSSUOXJFWQLV-UHFFFAOYSA-N 1 2 319.342 2.260 20 5 DEBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC001298841281 1140089582 /nfs/dbraw/zinc/08/95/82/1140089582.db2.gz MXOTUPBCJPTGFP-UHFFFAOYSA-N 1 2 324.699 2.240 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])C(F)F)cc1[N+](=O)[O-] ZINC001340002048 1143228290 /nfs/dbraw/zinc/22/82/90/1143228290.db2.gz JFVSKSYYIIHAEZ-WPRPVWTQSA-N 1 2 301.293 2.063 20 5 DEBDLO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593343 1143271223 /nfs/dbraw/zinc/27/12/23/1143271223.db2.gz LBGQSVAVJCZUSY-AWEZNQCLSA-N 1 2 306.362 2.336 20 5 DEBDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593343 1143271233 /nfs/dbraw/zinc/27/12/33/1143271233.db2.gz LBGQSVAVJCZUSY-AWEZNQCLSA-N 1 2 306.362 2.336 20 5 DEBDLO [NH3+][C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)F ZINC001341704670 1143675186 /nfs/dbraw/zinc/67/51/86/1143675186.db2.gz VRNLHKQJYHUHBS-LBPRGKRZSA-N 1 2 313.304 2.068 20 5 DEBDLO COc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000272873031 210263482 /nfs/dbraw/zinc/26/34/82/210263482.db2.gz VGIHHWOPHYRIOQ-SNVBAGLBSA-N 1 2 319.321 2.010 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccnc1 ZINC000160011341 282177145 /nfs/dbraw/zinc/17/71/45/282177145.db2.gz JCUITROUKPKUAE-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccnc1 ZINC000160011341 282177147 /nfs/dbraw/zinc/17/71/47/282177147.db2.gz JCUITROUKPKUAE-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO CNC(=O)c1ccc(NCCc2ccc(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000413358567 529942477 /nfs/dbraw/zinc/94/24/77/529942477.db2.gz WPJSMYDBXWTKSN-UHFFFAOYSA-N 1 2 314.345 2.312 20 5 DEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000287035318 219280920 /nfs/dbraw/zinc/28/09/20/219280920.db2.gz SLLFEWXQVOABQW-NSHDSACASA-N 1 2 313.379 2.367 20 5 DEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000287035318 219280922 /nfs/dbraw/zinc/28/09/22/219280922.db2.gz SLLFEWXQVOABQW-NSHDSACASA-N 1 2 313.379 2.367 20 5 DEBDLO Cc1noc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595535344 358475854 /nfs/dbraw/zinc/47/58/54/358475854.db2.gz XFBWVRGGASSGQK-SECBINFHSA-N 1 2 313.354 2.301 20 5 DEBDLO Cc1noc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595535344 358475857 /nfs/dbraw/zinc/47/58/57/358475857.db2.gz XFBWVRGGASSGQK-SECBINFHSA-N 1 2 313.354 2.301 20 5 DEBDLO C[N@H+](CC(=O)NCc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000026737628 354085503 /nfs/dbraw/zinc/08/55/03/354085503.db2.gz NNBDWDMFUCNEQW-UHFFFAOYSA-N 1 2 319.386 2.405 20 5 DEBDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000026737628 354085506 /nfs/dbraw/zinc/08/55/06/354085506.db2.gz NNBDWDMFUCNEQW-UHFFFAOYSA-N 1 2 319.386 2.405 20 5 DEBDLO Cc1c(C(=O)NCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000028833815 354103961 /nfs/dbraw/zinc/10/39/61/354103961.db2.gz LHBXVYPRLJDZLT-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO O=[N+]([O-])c1c(NCCCCn2cc[nH+]c2)nc2sccn21 ZINC000045108256 354249293 /nfs/dbraw/zinc/24/92/93/354249293.db2.gz JMOBRYSMSARTEX-UHFFFAOYSA-N 1 2 306.351 2.393 20 5 DEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc[nH+]1 ZINC000067105998 354747074 /nfs/dbraw/zinc/74/70/74/354747074.db2.gz CTDLNLXEIFUHGI-UHFFFAOYSA-N 1 2 315.285 2.322 20 5 DEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000067744450 354776366 /nfs/dbraw/zinc/77/63/66/354776366.db2.gz BNMDRLIHJSGOGB-UHFFFAOYSA-N 1 2 311.341 2.340 20 5 DEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000090172416 355560334 /nfs/dbraw/zinc/56/03/34/355560334.db2.gz ZPWUSOXGBGASAP-SNVBAGLBSA-N 1 2 302.338 2.075 20 5 DEBDLO CCc1nn(C)c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000091740468 355607517 /nfs/dbraw/zinc/60/75/17/355607517.db2.gz CHDJPFLMIHMJCX-WCQYABFASA-N 1 2 318.381 2.175 20 5 DEBDLO CCCNC(=O)C[N@H+](CCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092191950 355620873 /nfs/dbraw/zinc/62/08/73/355620873.db2.gz PVKYPDDVLVKVJL-UHFFFAOYSA-N 1 2 309.366 2.039 20 5 DEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092191950 355620874 /nfs/dbraw/zinc/62/08/74/355620874.db2.gz PVKYPDDVLVKVJL-UHFFFAOYSA-N 1 2 309.366 2.039 20 5 DEBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000111294057 355748050 /nfs/dbraw/zinc/74/80/50/355748050.db2.gz KBZMTKDBKZWIFT-LBPRGKRZSA-N 1 2 321.352 2.321 20 5 DEBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000111294057 355748051 /nfs/dbraw/zinc/74/80/51/355748051.db2.gz KBZMTKDBKZWIFT-LBPRGKRZSA-N 1 2 321.352 2.321 20 5 DEBDLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000184723734 356197250 /nfs/dbraw/zinc/19/72/50/356197250.db2.gz KYVZQBNGHBUERW-LLVKDONJSA-N 1 2 320.324 2.240 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000255918367 356338872 /nfs/dbraw/zinc/33/88/72/356338872.db2.gz OOHSKNDMWWMNRI-NGTOWPRWSA-N 1 2 318.373 2.488 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000255918367 356338876 /nfs/dbraw/zinc/33/88/76/356338876.db2.gz OOHSKNDMWWMNRI-NGTOWPRWSA-N 1 2 318.373 2.488 20 5 DEBDLO C[C@H](O)C[C@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000579764139 357026593 /nfs/dbraw/zinc/02/65/93/357026593.db2.gz CFRILXILNWDXJS-VLLIJTNSSA-N 1 2 306.362 2.080 20 5 DEBDLO C[C@H](O)C[C@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000579764139 357026597 /nfs/dbraw/zinc/02/65/97/357026597.db2.gz CFRILXILNWDXJS-VLLIJTNSSA-N 1 2 306.362 2.080 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000581734701 357241089 /nfs/dbraw/zinc/24/10/89/357241089.db2.gz UIGNHVQOHKEZRQ-LLVKDONJSA-N 1 2 302.334 2.155 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000581734701 357241092 /nfs/dbraw/zinc/24/10/92/357241092.db2.gz UIGNHVQOHKEZRQ-LLVKDONJSA-N 1 2 302.334 2.155 20 5 DEBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000581734702 357241345 /nfs/dbraw/zinc/24/13/45/357241345.db2.gz UIGNHVQOHKEZRQ-NSHDSACASA-N 1 2 302.334 2.155 20 5 DEBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000581734702 357241347 /nfs/dbraw/zinc/24/13/47/357241347.db2.gz UIGNHVQOHKEZRQ-NSHDSACASA-N 1 2 302.334 2.155 20 5 DEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000588070244 357392287 /nfs/dbraw/zinc/39/22/87/357392287.db2.gz VNUHZSDNBRREGO-VXGBXAGGSA-N 1 2 309.341 2.033 20 5 DEBDLO CCOC(=O)c1ccnc(N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000590567740 357558704 /nfs/dbraw/zinc/55/87/04/357558704.db2.gz DUDUMRJLVLWPDC-MRVPVSSYSA-N 1 2 305.294 2.063 20 5 DEBDLO CN1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000591156035 357682050 /nfs/dbraw/zinc/68/20/50/357682050.db2.gz AFDLRMBHZULUDQ-NSHDSACASA-N 1 2 300.318 2.176 20 5 DEBDLO CC[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000593611526 358111124 /nfs/dbraw/zinc/11/11/24/358111124.db2.gz BADANINODZGQRF-LLVKDONJSA-N 1 2 306.297 2.267 20 5 DEBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015027144 283334002 /nfs/dbraw/zinc/33/40/02/283334002.db2.gz LSFGCFIUGLQGDI-INIZCTEOSA-N 1 2 311.341 2.007 20 5 DEBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015027144 283334008 /nfs/dbraw/zinc/33/40/08/283334008.db2.gz LSFGCFIUGLQGDI-INIZCTEOSA-N 1 2 311.341 2.007 20 5 DEBDLO Cc1noc(C[NH+]2CCN(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000595338443 358425092 /nfs/dbraw/zinc/42/50/92/358425092.db2.gz HZFOQUCCDVJQGF-UHFFFAOYSA-N 1 2 308.363 2.275 20 5 DEBDLO Cc1noc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595345179 358426621 /nfs/dbraw/zinc/42/66/21/358426621.db2.gz NOJXHUOXWZYNJF-NSHDSACASA-N 1 2 323.271 2.026 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000596426502 358683624 /nfs/dbraw/zinc/68/36/24/358683624.db2.gz BBHRXVSDAQWRCK-ZJUUUORDSA-N 1 2 315.320 2.394 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000596426502 358683629 /nfs/dbraw/zinc/68/36/29/358683629.db2.gz BBHRXVSDAQWRCK-ZJUUUORDSA-N 1 2 315.320 2.394 20 5 DEBDLO CC(=O)c1ccc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596427330 358684021 /nfs/dbraw/zinc/68/40/21/358684021.db2.gz FQKDSDSYOYKREO-RYUDHWBXSA-N 1 2 321.377 2.319 20 5 DEBDLO CC(=O)c1ccc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596427330 358684023 /nfs/dbraw/zinc/68/40/23/358684023.db2.gz FQKDSDSYOYKREO-RYUDHWBXSA-N 1 2 321.377 2.319 20 5 DEBDLO CNC(=O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000597250690 358869411 /nfs/dbraw/zinc/86/94/11/358869411.db2.gz XWABKNRJFCQHOQ-UHFFFAOYSA-N 1 2 303.318 2.033 20 5 DEBDLO CNC(=O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000597250690 358869416 /nfs/dbraw/zinc/86/94/16/358869416.db2.gz XWABKNRJFCQHOQ-UHFFFAOYSA-N 1 2 303.318 2.033 20 5 DEBDLO CCOc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459897 359207031 /nfs/dbraw/zinc/20/70/31/359207031.db2.gz OXDCIRZLBRFJGG-SNVBAGLBSA-N 1 2 318.333 2.218 20 5 DEBDLO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598464671 359207945 /nfs/dbraw/zinc/20/79/45/359207945.db2.gz LFIWMTBLFNTCIC-QWRGUYRKSA-N 1 2 302.334 2.309 20 5 DEBDLO CC(C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])S(C)(=O)=O ZINC000599057556 359392513 /nfs/dbraw/zinc/39/25/13/359392513.db2.gz YVACKEKRXFRRMZ-UHFFFAOYSA-N 1 2 323.374 2.378 20 5 DEBDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000188678882 200287189 /nfs/dbraw/zinc/28/71/89/200287189.db2.gz QATMDNOZTRYFOQ-NSHDSACASA-N 1 2 302.334 2.138 20 5 DEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281228389 216169376 /nfs/dbraw/zinc/16/93/76/216169376.db2.gz CELMFFZHEDGOCB-GFCCVEGCSA-N 1 2 307.350 2.034 20 5 DEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281228389 216169379 /nfs/dbraw/zinc/16/93/79/216169379.db2.gz CELMFFZHEDGOCB-GFCCVEGCSA-N 1 2 307.350 2.034 20 5 DEBDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602633817 360469106 /nfs/dbraw/zinc/46/91/06/360469106.db2.gz ZWYGIQGPITZYHD-BQBZGAKWSA-N 1 2 321.196 2.374 20 5 DEBDLO 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CC[C@@H](F)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339740017 403435165 /nfs/dbraw/zinc/43/51/65/403435165.db2.gz CKIBBSHXCCIHEK-GFCCVEGCSA-N 1 2 309.341 2.101 20 5 DEBDLO CCN(CC)c1ccc(CNc2c([N+](=O)[O-])ncn2C)c[nH+]1 ZINC000298744542 403453728 /nfs/dbraw/zinc/45/37/28/403453728.db2.gz YRJFXPHDAMLTDB-UHFFFAOYSA-N 1 2 304.354 2.182 20 5 DEBDLO Cn1cc([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cn1 ZINC000332092384 403481417 /nfs/dbraw/zinc/48/14/17/403481417.db2.gz VXTPMQJVEMROJA-NSHDSACASA-N 1 2 302.334 2.023 20 5 DEBDLO Cn1cc([C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cn1 ZINC000332092384 403481419 /nfs/dbraw/zinc/48/14/19/403481419.db2.gz VXTPMQJVEMROJA-NSHDSACASA-N 1 2 302.334 2.023 20 5 DEBDLO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000293881113 403589485 /nfs/dbraw/zinc/58/94/85/403589485.db2.gz IMDVGIUWSHSGCG-UHFFFAOYSA-N 1 2 321.377 2.296 20 5 DEBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000293812278 403569364 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CC(C)(C[NH+]1CCOCC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000308664207 403959796 /nfs/dbraw/zinc/95/97/96/403959796.db2.gz OQPAZHCMUYPNJG-UHFFFAOYSA-N 1 2 315.320 2.396 20 5 DEBDLO CC(C)[N@H+](CCOCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336847049 403921026 /nfs/dbraw/zinc/92/10/26/403921026.db2.gz TUCCAXDQJMJCBX-UHFFFAOYSA-N 1 2 316.785 2.468 20 5 DEBDLO CC(C)[N@@H+](CCOCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336847049 403921032 /nfs/dbraw/zinc/92/10/32/403921032.db2.gz TUCCAXDQJMJCBX-UHFFFAOYSA-N 1 2 316.785 2.468 20 5 DEBDLO COc1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1[N+](=O)[O-] ZINC000411844689 403989881 /nfs/dbraw/zinc/98/98/81/403989881.db2.gz NAHOTSKSYFRGOZ-UHFFFAOYSA-N 1 2 316.361 2.285 20 5 DEBDLO COc1ccc(C[N@H+]2CCCc3c(cnn3C)C2)cc1[N+](=O)[O-] ZINC000411844689 403989886 /nfs/dbraw/zinc/98/98/86/403989886.db2.gz NAHOTSKSYFRGOZ-UHFFFAOYSA-N 1 2 316.361 2.285 20 5 DEBDLO Cc1[nH]nc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000354757394 403989916 /nfs/dbraw/zinc/98/99/16/403989916.db2.gz AWPLEIMCZCBPSP-UHFFFAOYSA-N 1 2 312.289 2.269 20 5 DEBDLO Cc1ccnc(N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000369304386 404040136 /nfs/dbraw/zinc/04/01/36/404040136.db2.gz BDVITLWPILXJDQ-UHFFFAOYSA-N 1 2 301.350 2.467 20 5 DEBDLO C[C@H]([NH2+][C@@H](C)c1csnn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412032628 404071665 /nfs/dbraw/zinc/07/16/65/404071665.db2.gz DOKOVIFLNHQDDL-IUCAKERBSA-N 1 2 321.362 2.124 20 5 DEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000341721371 404134029 /nfs/dbraw/zinc/13/40/29/404134029.db2.gz RZHPWZVMBXDHPF-LLVKDONJSA-N 1 2 306.347 2.271 20 5 DEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1csc([N+](=O)[O-])c1 ZINC000370105406 404335872 /nfs/dbraw/zinc/33/58/72/404335872.db2.gz NYGNNRBHEPAEGE-UHFFFAOYSA-N 1 2 320.374 2.461 20 5 DEBDLO CCn1cc[nH+]c1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352705300 404563103 /nfs/dbraw/zinc/56/31/03/404563103.db2.gz JLFQJKMESWMQDU-UHFFFAOYSA-N 1 2 302.334 2.206 20 5 DEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894495 404684695 /nfs/dbraw/zinc/68/46/95/404684695.db2.gz SWKSYAHWHKTCRV-STQMWFEESA-N 1 2 323.368 2.029 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000365618197 404700608 /nfs/dbraw/zinc/70/06/08/404700608.db2.gz DZJOCCGMHSIEES-ZDUSSCGKSA-N 1 2 314.345 2.348 20 5 DEBDLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000378088129 404864617 /nfs/dbraw/zinc/86/46/17/404864617.db2.gz JVJNWKYVEYERKD-JTQLQIEISA-N 1 2 318.308 2.076 20 5 DEBDLO Cc1ccc(CN(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000435061069 404954692 /nfs/dbraw/zinc/95/46/92/404954692.db2.gz WZFXMEUUNUEDIT-UHFFFAOYSA-N 1 2 321.421 2.446 20 5 DEBDLO Cc1ccc(CN(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000435061069 404954697 /nfs/dbraw/zinc/95/46/97/404954697.db2.gz WZFXMEUUNUEDIT-UHFFFAOYSA-N 1 2 321.421 2.446 20 5 DEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378405417 404955156 /nfs/dbraw/zinc/95/51/56/404955156.db2.gz DEZPIRZFKZCQSH-ZDUSSCGKSA-N 1 2 316.317 2.060 20 5 DEBDLO CC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451407134 404983218 /nfs/dbraw/zinc/98/32/18/404983218.db2.gz VRRNTUZGFKAVSK-ZYHUDNBSSA-N 1 2 300.318 2.309 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1F ZINC000367291688 404998780 /nfs/dbraw/zinc/99/87/80/404998780.db2.gz OVLSZVITVVNYRO-UHFFFAOYSA-N 1 2 305.313 2.232 20 5 DEBDLO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCCCC1 ZINC000424349268 405074485 /nfs/dbraw/zinc/07/44/85/405074485.db2.gz VOZFJOJNZNBWIK-UHFFFAOYSA-N 1 2 304.306 2.469 20 5 DEBDLO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC000436871873 405155153 /nfs/dbraw/zinc/15/51/53/405155153.db2.gz LMNOMLIYWSYKDD-CQSZACIVSA-N 1 2 323.393 2.397 20 5 DEBDLO COCC1(O)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492296646 405497683 /nfs/dbraw/zinc/49/76/83/405497683.db2.gz SLSDNRSCRODMEW-UHFFFAOYSA-N 1 2 314.769 2.222 20 5 DEBDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000490608722 406474757 /nfs/dbraw/zinc/47/47/57/406474757.db2.gz ZPAYLQOCWDMNFN-YVMONPNESA-N 1 2 300.318 2.000 20 5 DEBDLO CC[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000547750173 406442007 /nfs/dbraw/zinc/44/20/07/406442007.db2.gz JNKWUPLYGSJMDI-NSHDSACASA-N 1 2 318.333 2.137 20 5 DEBDLO O=C(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)NCC1CC1 ZINC000413243872 228295659 /nfs/dbraw/zinc/29/56/59/228295659.db2.gz WEORFRIYVYNUSO-UHFFFAOYSA-N 1 2 300.318 2.081 20 5 DEBDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214489 269126761 /nfs/dbraw/zinc/12/67/61/269126761.db2.gz ZNBUHLVNNISYAU-HNNXBMFYSA-N 1 2 308.334 2.131 20 5 DEBDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214489 269126763 /nfs/dbraw/zinc/12/67/63/269126763.db2.gz ZNBUHLVNNISYAU-HNNXBMFYSA-N 1 2 308.334 2.131 20 5 DEBDLO Cc1c(C(=O)NCCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000517796607 269393009 /nfs/dbraw/zinc/39/30/09/269393009.db2.gz XVIRTCDXYGPFAC-UHFFFAOYSA-N 1 2 302.334 2.310 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000273450267 281012971 /nfs/dbraw/zinc/01/29/71/281012971.db2.gz DFKUQERPYFGLHJ-UHFFFAOYSA-N 1 2 313.361 2.328 20 5 DEBDLO Cc1nc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000296412104 281919443 /nfs/dbraw/zinc/91/94/43/281919443.db2.gz WSJQCEWIAQZXQM-LLVKDONJSA-N 1 2 302.338 2.014 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368465978 295135886 /nfs/dbraw/zinc/13/58/86/295135886.db2.gz NYOJDDSULNALLV-IUPBHXKESA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368465978 295135889 /nfs/dbraw/zinc/13/58/89/295135889.db2.gz NYOJDDSULNALLV-IUPBHXKESA-N 1 2 323.780 2.334 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc[nH+]cc2)c1C ZINC000152158727 301861463 /nfs/dbraw/zinc/86/14/63/301861463.db2.gz MZOMYEIVIJLGFS-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO COc1cc(Cc2noc(C3([NH+](C)C)CC3)n2)ccc1[N+](=O)[O-] ZINC001350345846 1151345916 /nfs/dbraw/zinc/34/59/16/1151345916.db2.gz YCAJOYNNORZNNV-UHFFFAOYSA-N 1 2 318.333 2.128 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1CSCC[NH+]1CCOCC1 ZINC000574413027 326153066 /nfs/dbraw/zinc/15/30/66/326153066.db2.gz FQAJIUXXYXQPIZ-UHFFFAOYSA-N 1 2 300.355 2.299 20 5 DEBDLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000575921447 326256227 /nfs/dbraw/zinc/25/62/27/326256227.db2.gz BPTDLXQGCVBRDU-CYBMUJFWSA-N 1 2 316.361 2.444 20 5 DEBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](O)C(F)(F)F ZINC000181284045 333168599 /nfs/dbraw/zinc/16/85/99/333168599.db2.gz VJPWFCMQMQPUAH-SNVBAGLBSA-N 1 2 319.239 2.091 20 5 DEBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](O)C(F)(F)F ZINC000181284045 333168600 /nfs/dbraw/zinc/16/86/00/333168600.db2.gz VJPWFCMQMQPUAH-SNVBAGLBSA-N 1 2 319.239 2.091 20 5 DEBDLO CCn1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000582220374 336017921 /nfs/dbraw/zinc/01/79/21/336017921.db2.gz DTPYUIQLNWPGDY-UHFFFAOYSA-N 1 2 314.349 2.320 20 5 DEBDLO CCn1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000582220374 336017922 /nfs/dbraw/zinc/01/79/22/336017922.db2.gz DTPYUIQLNWPGDY-UHFFFAOYSA-N 1 2 314.349 2.320 20 5 DEBDLO CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC001330089402 1149048611 /nfs/dbraw/zinc/04/86/11/1149048611.db2.gz YRABJBGAXLGLTB-NSHDSACASA-N 1 2 311.338 2.199 20 5 DEBDLO CCC[N@H+]1CCCC[C@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC001330089402 1149048615 /nfs/dbraw/zinc/04/86/15/1149048615.db2.gz YRABJBGAXLGLTB-NSHDSACASA-N 1 2 311.338 2.199 20 5 DEBDLO C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000413262795 534098868 /nfs/dbraw/zinc/09/88/68/534098868.db2.gz UWGFXKXJUCAGOS-JTQLQIEISA-N 1 2 312.333 2.487 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](CO)[C@H]3CCOC3)c2c1 ZINC000413268058 534885090 /nfs/dbraw/zinc/88/50/90/534885090.db2.gz NLKGSOZMSCXEHI-QWHCGFSZSA-N 1 2 317.345 2.200 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](O)C(F)(F)F)c2c1 ZINC000413038463 534885191 /nfs/dbraw/zinc/88/51/91/534885191.db2.gz DKVHZJRRUBGHMS-SNVBAGLBSA-N 1 2 301.224 2.478 20 5 DEBDLO Cc1nnc([C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1 ZINC000247210916 526537096 /nfs/dbraw/zinc/53/70/96/526537096.db2.gz VDHGRADMXMABKV-QMTHXVAHSA-N 1 2 317.349 2.156 20 5 DEBDLO Cc1nnc([C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1 ZINC000247210916 526537102 /nfs/dbraw/zinc/53/71/02/526537102.db2.gz VDHGRADMXMABKV-QMTHXVAHSA-N 1 2 317.349 2.156 20 5 DEBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364269891 526983399 /nfs/dbraw/zinc/98/33/99/526983399.db2.gz HWQQAXOCZISIDI-GJZGRUSLSA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364269891 526983403 /nfs/dbraw/zinc/98/34/03/526983403.db2.gz HWQQAXOCZISIDI-GJZGRUSLSA-N 1 2 304.346 2.165 20 5 DEBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1O ZINC000444677528 529125428 /nfs/dbraw/zinc/12/54/28/529125428.db2.gz WHGVVLNZQXVVIT-CYBMUJFWSA-N 1 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DEBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000932062800 694539323 /nfs/dbraw/zinc/53/93/23/694539323.db2.gz JRIRBNWTFRBPPO-NTZNESFSSA-N 1 2 310.375 2.287 20 5 DEBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000932062800 694539327 /nfs/dbraw/zinc/53/93/27/694539327.db2.gz JRIRBNWTFRBPPO-NTZNESFSSA-N 1 2 310.375 2.287 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000924241395 693111691 /nfs/dbraw/zinc/11/16/91/693111691.db2.gz VIIQNCOCGPODAO-UHFFFAOYSA-N 1 2 323.736 2.310 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C)CC1 ZINC000932346381 694597386 /nfs/dbraw/zinc/59/73/86/694597386.db2.gz OFYVEDHSADTTTD-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C)CC1 ZINC000932346381 694597387 /nfs/dbraw/zinc/59/73/87/694597387.db2.gz OFYVEDHSADTTTD-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001334048622 1150179327 /nfs/dbraw/zinc/17/93/27/1150179327.db2.gz IFLQCRCGXDYUEH-SNVBAGLBSA-N 1 2 320.374 2.332 20 5 DEBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001350956869 1151437025 /nfs/dbraw/zinc/43/70/25/1151437025.db2.gz USCIAMJOTBRYDQ-UHFFFAOYSA-N 1 2 314.345 2.348 20 5 DEBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1F ZINC001444668487 1183509388 /nfs/dbraw/zinc/50/93/88/1183509388.db2.gz XDBLUZXPJLABKN-UHFFFAOYSA-N 1 2 318.308 2.361 20 5 DEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1F ZINC001445948732 1184143790 /nfs/dbraw/zinc/14/37/90/1184143790.db2.gz HKUUELLUXBEWGJ-UHFFFAOYSA-N 1 2 314.276 2.312 20 5 DEBDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001333540899 1150062286 /nfs/dbraw/zinc/06/22/86/1150062286.db2.gz NADUWRSRLWCCIV-VXGBXAGGSA-N 1 2 302.334 2.272 20 5 DEBDLO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]CC2(F)F)c1Br ZINC001218231608 777871212 /nfs/dbraw/zinc/87/12/12/777871212.db2.gz LOUYHCLNXWONOO-MRVPVSSYSA-N 1 2 323.093 2.343 20 5 DEBDLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039863 785012720 /nfs/dbraw/zinc/01/27/20/785012720.db2.gz UZGPUWUQNHAZSD-MNOVXSKESA-N 1 2 308.334 2.217 20 5 DEBDLO CCOC(=O)c1coc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039863 785012725 /nfs/dbraw/zinc/01/27/25/785012725.db2.gz UZGPUWUQNHAZSD-MNOVXSKESA-N 1 2 308.334 2.217 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc3ccccc3c([N+](=O)[O-])c2)C[NH2+]1 ZINC001169135029 785052998 /nfs/dbraw/zinc/05/29/98/785052998.db2.gz HTHDJXJTUPFMMG-OCCSQVGLSA-N 1 2 315.329 2.063 20 5 DEBDLO COC(=O)[C@@H](C)[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345197 786928162 /nfs/dbraw/zinc/92/81/62/786928162.db2.gz HWFMVBVSEIJEDL-GHMZBOCLSA-N 1 2 310.350 2.028 20 5 DEBDLO COC(=O)[C@@H](C)[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345197 786928170 /nfs/dbraw/zinc/92/81/70/786928170.db2.gz HWFMVBVSEIJEDL-GHMZBOCLSA-N 1 2 310.350 2.028 20 5 DEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)C1 ZINC001137428130 788355996 /nfs/dbraw/zinc/35/59/96/788355996.db2.gz OZLBENQZCYYJFG-UHFFFAOYSA-N 1 2 312.329 2.407 20 5 DEBDLO COc1cc[nH+]cc1-n1c2ccccc2nc2cc(N)c(=O)cc1-2 ZINC001176124618 794363659 /nfs/dbraw/zinc/36/36/59/794363659.db2.gz SDFSNPISVYSDJU-UHFFFAOYSA-N 1 2 318.336 2.476 20 5 DEBDLO COc1ccc(C(=O)OCC(C)(C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001123054515 795844908 /nfs/dbraw/zinc/84/49/08/795844908.db2.gz FIYJEPQVKVEVOF-UHFFFAOYSA-N 1 2 319.317 2.392 20 5 DEBDLO C[NH+]1CC(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)C1 ZINC001155997251 797901046 /nfs/dbraw/zinc/90/10/46/797901046.db2.gz UFZZQOUEVNLHCX-UHFFFAOYSA-N 1 2 324.409 2.441 20 5 DEBDLO CCN(C1C[NH+](C)C1)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001157453611 798207860 /nfs/dbraw/zinc/20/78/60/798207860.db2.gz IXGULKNMBWSAAU-UHFFFAOYSA-N 1 2 320.727 2.328 20 5 DEBDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001158756316 798464049 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C[N@H+]1CCO[C@@H](COc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909371 803174234 /nfs/dbraw/zinc/17/42/34/803174234.db2.gz TTYDVXFIUDYXKM-MRVPVSSYSA-N 1 2 304.705 2.097 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2)cc1Cl ZINC001540921799 1072434660 /nfs/dbraw/zinc/43/46/60/1072434660.db2.gz SXVPCRUCWWNYCT-UHFFFAOYSA-N 1 2 308.725 2.183 20 5 DEBDLO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001460828483 1058515866 /nfs/dbraw/zinc/51/58/66/1058515866.db2.gz IJNYOYIMROANDU-AWEZNQCLSA-N 1 2 307.394 2.463 20 5 DEBDLO CC(C)C[C@H]1C[N@@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001460828483 1058515887 /nfs/dbraw/zinc/51/58/87/1058515887.db2.gz IJNYOYIMROANDU-AWEZNQCLSA-N 1 2 307.394 2.463 20 5 DEBDLO Cc1[nH]c(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001465747878 1059359698 /nfs/dbraw/zinc/35/96/98/1059359698.db2.gz PWPVFQAFEQNIEB-VMPITWQZSA-N 1 2 300.318 2.264 20 5 DEBDLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N)ccc1[N+](=O)[O-] ZINC001466027529 1059408074 /nfs/dbraw/zinc/40/80/74/1059408074.db2.gz UWGZBFIUFBHKGF-UHFFFAOYSA-N 1 2 301.306 2.202 20 5 DEBDLO COc1cc(NCc2ccc[nH+]c2N)c([N+](=O)[O-])cc1OC ZINC001612396285 1078109819 /nfs/dbraw/zinc/10/98/19/1078109819.db2.gz HZHJBFOXHDZOAH-UHFFFAOYSA-N 1 2 304.306 2.201 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC001629465867 1078318237 /nfs/dbraw/zinc/31/82/37/1078318237.db2.gz IFDMRAHHLLOZOK-UHFFFAOYSA-N 1 2 315.333 2.041 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC001629465867 1078318240 /nfs/dbraw/zinc/31/82/40/1078318240.db2.gz IFDMRAHHLLOZOK-UHFFFAOYSA-N 1 2 315.333 2.041 20 5 DEBDLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(N)c1[N+](=O)[O-] ZINC001636729111 1078487602 /nfs/dbraw/zinc/48/76/02/1078487602.db2.gz NGDWYHNMEBAJAE-VIFPVBQESA-N 1 2 303.322 2.026 20 5 DEBDLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(N)c1[N+](=O)[O-] ZINC001636729111 1078487605 /nfs/dbraw/zinc/48/76/05/1078487605.db2.gz NGDWYHNMEBAJAE-VIFPVBQESA-N 1 2 303.322 2.026 20 5 DEBDLO [NH3+][C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC001580113769 1067498294 /nfs/dbraw/zinc/49/82/94/1067498294.db2.gz OEYAWRMCMGSYPK-CQSZACIVSA-N 1 2 321.283 2.189 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)c1cccc([N+](=O)[O-])c1NC ZINC001518047599 1068992820 /nfs/dbraw/zinc/99/28/20/1068992820.db2.gz GWPMBKTWRNRHPA-UHFFFAOYSA-N 1 2 304.306 2.210 20 5 DEBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC001586304502 1076395920 /nfs/dbraw/zinc/39/59/20/1076395920.db2.gz HVVMQTQYWCIXCF-UHFFFAOYSA-N 1 2 306.709 2.142 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001650617275 1079765386 /nfs/dbraw/zinc/76/53/86/1079765386.db2.gz DHIRYVRGTUAIPS-JTQLQIEISA-N 1 2 315.308 2.401 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C3OCCO3)nc2c1 ZINC001653249319 1079920516 /nfs/dbraw/zinc/92/05/16/1079920516.db2.gz KODVPJBGKJVMTN-GFCCVEGCSA-N 1 2 319.317 2.073 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3C3OCCO3)nc2c1 ZINC001653249319 1079920521 /nfs/dbraw/zinc/92/05/21/1079920521.db2.gz KODVPJBGKJVMTN-GFCCVEGCSA-N 1 2 319.317 2.073 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C3OCCO3)nc2c1 ZINC001653249320 1079920718 /nfs/dbraw/zinc/92/07/18/1079920718.db2.gz KODVPJBGKJVMTN-LBPRGKRZSA-N 1 2 319.317 2.073 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3C3OCCO3)nc2c1 ZINC001653249320 1079920726 /nfs/dbraw/zinc/92/07/26/1079920726.db2.gz KODVPJBGKJVMTN-LBPRGKRZSA-N 1 2 319.317 2.073 20 5 DEBDLO CNc1cc(CNc2nc3sccn3c2[N+](=O)[O-])cc[nH+]1 ZINC001655876183 1080024098 /nfs/dbraw/zinc/02/40/98/1080024098.db2.gz NWNXXNBOLZLQQB-UHFFFAOYSA-N 1 2 304.335 2.353 20 5 DEBDLO CN(C)c1[nH+]ccc2c1CN(c1ccc(N)cc1[N+](=O)[O-])CC2 ZINC001338110088 1142829960 /nfs/dbraw/zinc/82/99/60/1142829960.db2.gz PQPDJPJSZKYSIF-UHFFFAOYSA-N 1 2 313.361 2.201 20 5 DEBDLO CCc1nn(C)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001254165434 1143050760 /nfs/dbraw/zinc/05/07/60/1143050760.db2.gz CFQAICNSHUFNPM-UHFFFAOYSA-N 1 2 300.362 2.449 20 5 DEBDLO CCc1nn(C)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001254165434 1143050769 /nfs/dbraw/zinc/05/07/69/1143050769.db2.gz CFQAICNSHUFNPM-UHFFFAOYSA-N 1 2 300.362 2.449 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)n1cc[nH+]c1)CC2 ZINC001324856992 1147853740 /nfs/dbraw/zinc/85/37/40/1147853740.db2.gz OEJJRRVCMANAJH-LLVKDONJSA-N 1 2 300.318 2.250 20 5 DEBDLO C[N@H+](Cc1ccncc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612584119 361865280 /nfs/dbraw/zinc/86/52/80/361865280.db2.gz JFIYKIAGQKMIPZ-UHFFFAOYSA-N 1 2 315.329 2.393 20 5 DEBDLO C[N@@H+](Cc1ccncc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612584119 361865284 /nfs/dbraw/zinc/86/52/84/361865284.db2.gz JFIYKIAGQKMIPZ-UHFFFAOYSA-N 1 2 315.329 2.393 20 5 DEBDLO CC(=O)c1cc(NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000286650141 219103448 /nfs/dbraw/zinc/10/34/48/219103448.db2.gz CHEVKNQYSOEGIE-GFCCVEGCSA-N 1 2 321.377 2.178 20 5 DEBDLO O=[N+]([O-])c1ccc(OCCCN2CCn3c[nH+]cc3C2)cc1 ZINC000595493723 358464508 /nfs/dbraw/zinc/46/45/08/358464508.db2.gz IJMQOYCJBFFOOY-UHFFFAOYSA-N 1 2 302.334 2.076 20 5 DEBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCn3cncc3C2)cc1 ZINC000595493723 358464511 /nfs/dbraw/zinc/46/45/11/358464511.db2.gz IJMQOYCJBFFOOY-UHFFFAOYSA-N 1 2 302.334 2.076 20 5 DEBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCn3cncc3C2)cc1 ZINC000595493723 358464516 /nfs/dbraw/zinc/46/45/16/358464516.db2.gz IJMQOYCJBFFOOY-UHFFFAOYSA-N 1 2 302.334 2.076 20 5 DEBDLO O=C(N[C@H]1CCC[C@H]1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340796347 539993966 /nfs/dbraw/zinc/99/39/66/539993966.db2.gz LAMKBNIXQIFKSJ-NEPJUHHUSA-N 1 2 318.308 2.401 20 5 DEBDLO C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182168022 199397090 /nfs/dbraw/zinc/39/70/90/199397090.db2.gz MQPDQJBPVUVYFV-LBPRGKRZSA-N 1 2 312.391 2.100 20 5 DEBDLO C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182168022 199397092 /nfs/dbraw/zinc/39/70/92/199397092.db2.gz MQPDQJBPVUVYFV-LBPRGKRZSA-N 1 2 312.391 2.100 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000047744209 354329575 /nfs/dbraw/zinc/32/95/75/354329575.db2.gz VDDSYMAMXSURTF-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000048023415 354339856 /nfs/dbraw/zinc/33/98/56/354339856.db2.gz BXPCYWDNLLQCBR-UHFFFAOYSA-N 1 2 318.333 2.256 20 5 DEBDLO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000048023415 354339859 /nfs/dbraw/zinc/33/98/59/354339859.db2.gz BXPCYWDNLLQCBR-UHFFFAOYSA-N 1 2 318.333 2.256 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000067712436 354775013 /nfs/dbraw/zinc/77/50/13/354775013.db2.gz HIUNNDRWCWNSFH-UHFFFAOYSA-N 1 2 318.402 2.369 20 5 DEBDLO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000070879324 354889242 /nfs/dbraw/zinc/88/92/42/354889242.db2.gz LRHTTWJVZXMUCS-UHFFFAOYSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080016351 355342441 /nfs/dbraw/zinc/34/24/41/355342441.db2.gz SLXKERLDVYLHGL-NEPJUHHUSA-N 1 2 317.349 2.240 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ncccc1O)CCO2 ZINC000579538283 356988763 /nfs/dbraw/zinc/98/87/63/356988763.db2.gz GNDZJXSKLXGSKY-UHFFFAOYSA-N 1 2 301.302 2.090 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ncccc1O)CCO2 ZINC000579538283 356988765 /nfs/dbraw/zinc/98/87/65/356988765.db2.gz GNDZJXSKLXGSKY-UHFFFAOYSA-N 1 2 301.302 2.090 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H]2C[C@H]21 ZINC000588065802 357391523 /nfs/dbraw/zinc/39/15/23/357391523.db2.gz CMINRQGYMJQCQN-GOEBONIOSA-N 1 2 317.389 2.416 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591851249 357768308 /nfs/dbraw/zinc/76/83/08/357768308.db2.gz KQOAVMRTQUMQMG-PRHODGIISA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591851249 357768313 /nfs/dbraw/zinc/76/83/13/357768313.db2.gz KQOAVMRTQUMQMG-PRHODGIISA-N 1 2 315.167 2.312 20 5 DEBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179334272 199017295 /nfs/dbraw/zinc/01/72/95/199017295.db2.gz WDWJAWFXQDEURE-VFADXPBXSA-N 1 2 303.362 2.209 20 5 DEBDLO CNC(=O)[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179334272 199017297 /nfs/dbraw/zinc/01/72/97/199017297.db2.gz WDWJAWFXQDEURE-VFADXPBXSA-N 1 2 303.362 2.209 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)CO1 ZINC000593063869 357998662 /nfs/dbraw/zinc/99/86/62/357998662.db2.gz QAUYEMYQBJXGKS-IAQYHMDHSA-N 1 2 322.361 2.461 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)CO1 ZINC000593063869 357998664 /nfs/dbraw/zinc/99/86/64/357998664.db2.gz QAUYEMYQBJXGKS-IAQYHMDHSA-N 1 2 322.361 2.461 20 5 DEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1[N+](=O)[O-] ZINC000595082463 358387475 /nfs/dbraw/zinc/38/74/75/358387475.db2.gz OGZMUIPWUYHOHJ-SECBINFHSA-N 1 2 320.374 2.309 20 5 DEBDLO Cc1noc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1[N+](=O)[O-] ZINC000595408588 358441568 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Cc1cc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000051593640 402035304 /nfs/dbraw/zinc/03/53/04/402035304.db2.gz ASWOFFRPVQBMJR-UHFFFAOYSA-N 1 2 318.333 2.270 20 5 DEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C[NH+]1CCCCC1 ZINC000063782232 402115501 /nfs/dbraw/zinc/11/55/01/402115501.db2.gz WYTRYKOMTAPQIW-GFCCVEGCSA-N 1 2 321.377 2.152 20 5 DEBDLO CCOC(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066406921 402132768 /nfs/dbraw/zinc/13/27/68/402132768.db2.gz GLWVSAJHOQWOGF-GFCCVEGCSA-N 1 2 307.350 2.430 20 5 DEBDLO C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153418499 402143897 /nfs/dbraw/zinc/14/38/97/402143897.db2.gz GUZDORVYDPJVKQ-KTRBRXNASA-N 1 2 314.345 2.257 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386559 402158139 /nfs/dbraw/zinc/15/81/39/402158139.db2.gz QUZVRJFDRNKEIX-OAHLLOKOSA-N 1 2 322.361 2.391 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386559 402158140 /nfs/dbraw/zinc/15/81/40/402158140.db2.gz QUZVRJFDRNKEIX-OAHLLOKOSA-N 1 2 322.361 2.391 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000067548172 402162329 /nfs/dbraw/zinc/16/23/29/402162329.db2.gz PAAFZCFYCRADFU-UHFFFAOYSA-N 1 2 316.317 2.317 20 5 DEBDLO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187451705 402501793 /nfs/dbraw/zinc/50/17/93/402501793.db2.gz IJEYLIDYUVXYFQ-GFCCVEGCSA-N 1 2 321.377 2.104 20 5 DEBDLO CN1C[C@@H]([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CCC1=O ZINC000566425592 292238568 /nfs/dbraw/zinc/23/85/68/292238568.db2.gz FJJXMQKRIHDFMD-JTQLQIEISA-N 1 2 311.769 2.301 20 5 DEBDLO CN1C[C@@H]([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CCC1=O ZINC000566425592 292238570 /nfs/dbraw/zinc/23/85/70/292238570.db2.gz FJJXMQKRIHDFMD-JTQLQIEISA-N 1 2 311.769 2.301 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249559397 402634726 /nfs/dbraw/zinc/63/47/26/402634726.db2.gz LCMZCUAZPDFXLT-FZMZJTMJSA-N 1 2 321.377 2.079 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249559397 402634727 /nfs/dbraw/zinc/63/47/27/402634727.db2.gz LCMZCUAZPDFXLT-FZMZJTMJSA-N 1 2 321.377 2.079 20 5 DEBDLO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC000182122186 402667675 /nfs/dbraw/zinc/66/76/75/402667675.db2.gz GKAJTUPZVDELEG-UHFFFAOYSA-N 1 2 309.366 2.149 20 5 DEBDLO CC(C)COC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000193692363 402775246 /nfs/dbraw/zinc/77/52/46/402775246.db2.gz BSBJKQZUTIIDOQ-HNNXBMFYSA-N 1 2 319.361 2.492 20 5 DEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1C ZINC000264313870 402866803 /nfs/dbraw/zinc/86/68/03/402866803.db2.gz OJGGPGITAUTZJO-SNVBAGLBSA-N 1 2 320.374 2.125 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000265844212 402955743 /nfs/dbraw/zinc/95/57/43/402955743.db2.gz XKFQYXPWKSJCST-UHFFFAOYSA-N 1 2 318.333 2.352 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccon1 ZINC000265844212 402955745 /nfs/dbraw/zinc/95/57/45/402955745.db2.gz XKFQYXPWKSJCST-UHFFFAOYSA-N 1 2 318.333 2.352 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000282378777 403148300 /nfs/dbraw/zinc/14/83/00/403148300.db2.gz CQJBNTOXJUWURO-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000282378777 403148302 /nfs/dbraw/zinc/14/83/02/403148302.db2.gz CQJBNTOXJUWURO-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000283495991 403201794 /nfs/dbraw/zinc/20/17/94/403201794.db2.gz OOHNJGMSKHLMBN-NSHDSACASA-N 1 2 318.333 2.009 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292397762 403358935 /nfs/dbraw/zinc/35/89/35/403358935.db2.gz YNGZNPNVUUTGGT-VXGBXAGGSA-N 1 2 312.391 2.022 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292397762 403358939 /nfs/dbraw/zinc/35/89/39/403358939.db2.gz YNGZNPNVUUTGGT-VXGBXAGGSA-N 1 2 312.391 2.022 20 5 DEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000332440151 403582153 /nfs/dbraw/zinc/58/21/53/403582153.db2.gz HUDYIDTWTMKCBG-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000347351278 403675248 /nfs/dbraw/zinc/67/52/48/403675248.db2.gz DOLJESHRHZRDHA-XVDNMJROSA-N 1 2 308.403 2.451 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000347351278 403675251 /nfs/dbraw/zinc/67/52/51/403675251.db2.gz DOLJESHRHZRDHA-XVDNMJROSA-N 1 2 308.403 2.451 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccn1 ZINC000295170453 403782814 /nfs/dbraw/zinc/78/28/14/403782814.db2.gz OGVUTIFFEPAISB-GFCCVEGCSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccn1 ZINC000295170453 403782820 /nfs/dbraw/zinc/78/28/20/403782820.db2.gz OGVUTIFFEPAISB-GFCCVEGCSA-N 1 2 314.345 2.449 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000341155034 403797973 /nfs/dbraw/zinc/79/79/73/403797973.db2.gz GCRLXBVIVOJLGE-GFCCVEGCSA-N 1 2 322.283 2.349 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000341155034 403797975 /nfs/dbraw/zinc/79/79/75/403797975.db2.gz GCRLXBVIVOJLGE-GFCCVEGCSA-N 1 2 322.283 2.349 20 5 DEBDLO COC(=O)c1cc(OCc2c[nH+]ccc2OC)ccc1[N+](=O)[O-] ZINC000341394223 403950303 /nfs/dbraw/zinc/95/03/03/403950303.db2.gz NZCNFUAELIZNFM-UHFFFAOYSA-N 1 2 318.285 2.364 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000354874122 404071438 /nfs/dbraw/zinc/07/14/38/404071438.db2.gz HTJWTBNFBNXIRR-OLZOCXBDSA-N 1 2 321.377 2.077 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000354874122 404071446 /nfs/dbraw/zinc/07/14/46/404071446.db2.gz HTJWTBNFBNXIRR-OLZOCXBDSA-N 1 2 321.377 2.077 20 5 DEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000341722867 404136263 /nfs/dbraw/zinc/13/62/63/404136263.db2.gz WKBMNAQPUPKPAW-ZDUSSCGKSA-N 1 2 300.318 2.209 20 5 DEBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccccc3[N+](=O)[O-])cn2c1 ZINC000342149097 404402816 /nfs/dbraw/zinc/40/28/16/404402816.db2.gz HUHRPWIRWXSTOT-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO Cc1cc(N2C[C@@H](C)[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000351506784 404614314 /nfs/dbraw/zinc/61/43/14/404614314.db2.gz WJDSEFNMTDXOQK-QMTHXVAHSA-N 1 2 314.345 2.177 20 5 DEBDLO CSc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000365720826 404711160 /nfs/dbraw/zinc/71/11/60/404711160.db2.gz SMPBYFOLZXYHFG-UHFFFAOYSA-N 1 2 318.358 2.169 20 5 DEBDLO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccccc2O1 ZINC000366533686 404809469 /nfs/dbraw/zinc/80/94/69/404809469.db2.gz IPRXMWQYOUHZCU-NSHDSACASA-N 1 2 302.334 2.111 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccccc2O1 ZINC000366533686 404809471 /nfs/dbraw/zinc/80/94/71/404809471.db2.gz IPRXMWQYOUHZCU-NSHDSACASA-N 1 2 302.334 2.111 20 5 DEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378520083 404990275 /nfs/dbraw/zinc/99/02/75/404990275.db2.gz RCKZHRCCIMDXHJ-ZDUSSCGKSA-N 1 2 300.318 2.224 20 5 DEBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000407993124 405085029 /nfs/dbraw/zinc/08/50/29/405085029.db2.gz LOWSUNBNBZQVRE-MRXNPFEDSA-N 1 2 322.361 2.070 20 5 DEBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000407993124 405085034 /nfs/dbraw/zinc/08/50/34/405085034.db2.gz LOWSUNBNBZQVRE-MRXNPFEDSA-N 1 2 322.361 2.070 20 5 DEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000436886847 405157610 /nfs/dbraw/zinc/15/76/10/405157610.db2.gz UOZJDTGYQYVHIA-VXGBXAGGSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCC[C@@H](C)C1 ZINC000436886847 405157616 /nfs/dbraw/zinc/15/76/16/405157616.db2.gz UOZJDTGYQYVHIA-VXGBXAGGSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000408280560 405161586 /nfs/dbraw/zinc/16/15/86/405161586.db2.gz IRIJBWVBGJXPHM-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000408280560 405161592 /nfs/dbraw/zinc/16/15/92/405161592.db2.gz IRIJBWVBGJXPHM-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO O=C(N[C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452172198 405203226 /nfs/dbraw/zinc/20/32/26/405203226.db2.gz VISBRGZSSPHYIP-NEPJUHHUSA-N 1 2 318.308 2.401 20 5 DEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCCC[C@@H]1C ZINC000436981328 405174571 /nfs/dbraw/zinc/17/45/71/405174571.db2.gz BUVBGXBLYDBKKQ-RYUDHWBXSA-N 1 2 321.377 2.293 20 5 DEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCCC[C@@H]1C ZINC000436981328 405174574 /nfs/dbraw/zinc/17/45/74/405174574.db2.gz BUVBGXBLYDBKKQ-RYUDHWBXSA-N 1 2 321.377 2.293 20 5 DEBDLO Cc1ncccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453571892 405292563 /nfs/dbraw/zinc/29/25/63/405292563.db2.gz CEANFVXXLMAWPB-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459779284 406043078 /nfs/dbraw/zinc/04/30/78/406043078.db2.gz FNJIWFAEOURASO-QWRGUYRKSA-N 1 2 317.349 2.006 20 5 DEBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000567624346 406107994 /nfs/dbraw/zinc/10/79/94/406107994.db2.gz MNDMUFSWGUSOFV-JTQLQIEISA-N 1 2 300.318 2.086 20 5 DEBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000567624346 406107996 /nfs/dbraw/zinc/10/79/96/406107996.db2.gz MNDMUFSWGUSOFV-JTQLQIEISA-N 1 2 300.318 2.086 20 5 DEBDLO CC(C)(C)OC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000533514535 406148185 /nfs/dbraw/zinc/14/81/85/406148185.db2.gz DUFKGUDQBQXSNS-UHFFFAOYSA-N 1 2 324.381 2.035 20 5 DEBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489498358 406413303 /nfs/dbraw/zinc/41/33/03/406413303.db2.gz JOZFVBOUJWPXIL-ZDUSSCGKSA-N 1 2 312.391 2.099 20 5 DEBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489498358 406413308 /nfs/dbraw/zinc/41/33/08/406413308.db2.gz JOZFVBOUJWPXIL-ZDUSSCGKSA-N 1 2 312.391 2.099 20 5 DEBDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000349247082 287063803 /nfs/dbraw/zinc/06/38/03/287063803.db2.gz ULBGTLZUXOWLFO-NXEZZACHSA-N 1 2 304.306 2.261 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1O ZINC000190046427 225073565 /nfs/dbraw/zinc/07/35/65/225073565.db2.gz QUVGKOLTEABRMR-SKDRFNHKSA-N 1 2 316.304 2.399 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1O ZINC000190046427 225073568 /nfs/dbraw/zinc/07/35/68/225073568.db2.gz QUVGKOLTEABRMR-SKDRFNHKSA-N 1 2 316.304 2.399 20 5 DEBDLO Cc1nnc(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1C ZINC000413255651 228297503 /nfs/dbraw/zinc/29/75/03/228297503.db2.gz JVZFURIMWLJFBQ-UHFFFAOYSA-N 1 2 312.333 2.235 20 5 DEBDLO CC(C)Oc1nc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000574652266 424943870 /nfs/dbraw/zinc/94/38/70/424943870.db2.gz WDGVPDRGYBMEKI-UHFFFAOYSA-N 1 2 317.349 2.696 20 5 DEBDLO O=[N+]([O-])c1cccc(CCNc2cc(NCC3CC3)[nH+]cn2)c1 ZINC000340078736 424946533 /nfs/dbraw/zinc/94/65/33/424946533.db2.gz BUQYXNYKXSZQDL-UHFFFAOYSA-N 1 2 313.361 2.861 20 5 DEBDLO O=[N+]([O-])c1cccc(CCNc2cc(NCC3CC3)nc[nH+]2)c1 ZINC000340078736 424946539 /nfs/dbraw/zinc/94/65/39/424946539.db2.gz BUQYXNYKXSZQDL-UHFFFAOYSA-N 1 2 313.361 2.861 20 5 DEBDLO CC1(C)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1O ZINC000285286319 278336778 /nfs/dbraw/zinc/33/67/78/278336778.db2.gz KUHLCGOCSFNAOO-ZDUSSCGKSA-N 1 2 300.305 2.466 20 5 DEBDLO CC1(C)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1O ZINC000285286319 278336781 /nfs/dbraw/zinc/33/67/81/278336781.db2.gz KUHLCGOCSFNAOO-ZDUSSCGKSA-N 1 2 300.305 2.466 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCSC[C@H]1CO ZINC000330860977 280358148 /nfs/dbraw/zinc/35/81/48/280358148.db2.gz WJUDTXVTURCMHF-LLVKDONJSA-N 1 2 302.783 2.158 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCSC[C@H]1CO ZINC000330860977 280358149 /nfs/dbraw/zinc/35/81/49/280358149.db2.gz WJUDTXVTURCMHF-LLVKDONJSA-N 1 2 302.783 2.158 20 5 DEBDLO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000575762587 326243968 /nfs/dbraw/zinc/24/39/68/326243968.db2.gz YTJAKCMYCMOAFE-DTWKUNHWSA-N 1 2 306.297 2.438 20 5 DEBDLO CNc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000584275726 332180720 /nfs/dbraw/zinc/18/07/20/332180720.db2.gz HMHKHRJTITYORF-JOYOIKCWSA-N 1 2 315.333 2.269 20 5 DEBDLO CCCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130327061 520611712 /nfs/dbraw/zinc/61/17/12/520611712.db2.gz OQZJHBLXKOCWGA-UHFFFAOYSA-N 1 2 305.378 2.476 20 5 DEBDLO CCCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130327061 520611723 /nfs/dbraw/zinc/61/17/23/520611723.db2.gz OQZJHBLXKOCWGA-UHFFFAOYSA-N 1 2 305.378 2.476 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000413028996 534888372 /nfs/dbraw/zinc/88/83/72/534888372.db2.gz CZXNJWXOBDIXHQ-UHFFFAOYSA-N 1 2 306.297 2.044 20 5 DEBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000428446531 529192229 /nfs/dbraw/zinc/19/22/29/529192229.db2.gz JOROFJIGGLYLCH-AWEZNQCLSA-N 1 2 305.378 2.346 20 5 DEBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000428446531 529192230 /nfs/dbraw/zinc/19/22/30/529192230.db2.gz JOROFJIGGLYLCH-AWEZNQCLSA-N 1 2 305.378 2.346 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000456376063 536115001 /nfs/dbraw/zinc/11/50/01/536115001.db2.gz HMMBVVQCVVBBNN-LLVKDONJSA-N 1 2 318.333 2.067 20 5 DEBDLO CO[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835188845 649889220 /nfs/dbraw/zinc/88/92/20/649889220.db2.gz FSMXACVDMIAZDN-NSHDSACASA-N 1 2 319.317 2.362 20 5 DEBDLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000933291129 624151930 /nfs/dbraw/zinc/15/19/30/624151930.db2.gz XYYPMDASVDNFRL-CYBMUJFWSA-N 1 2 309.341 2.128 20 5 DEBDLO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc[nH+]1 ZINC000124614757 633402475 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DEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c(C)c[nH+]1 ZINC000747524572 638446938 /nfs/dbraw/zinc/44/69/38/638446938.db2.gz ADNLNTBSRCPZAO-UHFFFAOYSA-N 1 2 314.345 2.347 20 5 DEBDLO C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[NH2+]C1 ZINC000262405872 639056129 /nfs/dbraw/zinc/05/61/29/639056129.db2.gz CSSSEGAVOIIHQT-QWRGUYRKSA-N 1 2 307.350 2.265 20 5 DEBDLO CC1([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)OCCO1 ZINC000753597587 639319159 /nfs/dbraw/zinc/31/91/59/639319159.db2.gz YINVUKZVFDUIGW-ZDUSSCGKSA-N 1 2 322.361 2.275 20 5 DEBDLO CC1([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)OCCO1 ZINC000753597587 639319166 /nfs/dbraw/zinc/31/91/66/639319166.db2.gz YINVUKZVFDUIGW-ZDUSSCGKSA-N 1 2 322.361 2.275 20 5 DEBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000754988648 639502169 /nfs/dbraw/zinc/50/21/69/639502169.db2.gz OOHJUWMWMCFCKE-UHFFFAOYSA-N 1 2 313.672 2.441 20 5 DEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000755042602 639509486 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DEBDLO COc1cc([C@H](C)[NH2+][C@H](C)c2nncn2C)cc([N+](=O)[O-])c1 ZINC000903091129 643245986 /nfs/dbraw/zinc/24/59/86/643245986.db2.gz NQNUUMKFYROBEF-VHSXEESVSA-N 1 2 305.338 2.144 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787423965 643493624 /nfs/dbraw/zinc/49/36/24/643493624.db2.gz NWZSKOVKCSXFEH-MJVIPROJSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787423965 643493628 /nfs/dbraw/zinc/49/36/28/643493628.db2.gz NWZSKOVKCSXFEH-MJVIPROJSA-N 1 2 323.780 2.334 20 5 DEBDLO O=C(OCC1CN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000842893762 650847504 /nfs/dbraw/zinc/84/75/04/650847504.db2.gz ZONBSQMKSMZDEH-UHFFFAOYSA-N 1 2 313.313 2.283 20 5 DEBDLO Cn1cc[nH+]c1CCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000789791573 643776923 /nfs/dbraw/zinc/77/69/23/643776923.db2.gz MMBHDYLLRWXMJL-UHFFFAOYSA-N 1 2 303.318 2.047 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000792878332 644163819 /nfs/dbraw/zinc/16/38/19/644163819.db2.gz VFUGABUQACBMJG-LBPRGKRZSA-N 1 2 323.330 2.388 20 5 DEBDLO CC[N@H+](CC1CC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794628158 644448210 /nfs/dbraw/zinc/44/82/10/644448210.db2.gz IQYNUMOKDVPCRZ-UHFFFAOYSA-N 1 2 318.333 2.101 20 5 DEBDLO CC[N@@H+](CC1CC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794628158 644448215 /nfs/dbraw/zinc/44/82/15/644448215.db2.gz IQYNUMOKDVPCRZ-UHFFFAOYSA-N 1 2 318.333 2.101 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](C2CC2)CC1=O ZINC000795644857 644610417 /nfs/dbraw/zinc/61/04/17/644610417.db2.gz POWHFNQLRCGTSQ-OAHLLOKOSA-N 1 2 317.389 2.285 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](C2CC2)CC1=O ZINC000795644857 644610420 /nfs/dbraw/zinc/61/04/20/644610420.db2.gz POWHFNQLRCGTSQ-OAHLLOKOSA-N 1 2 317.389 2.285 20 5 DEBDLO COc1cc(C(=O)OCCCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000802789640 645558978 /nfs/dbraw/zinc/55/89/78/645558978.db2.gz CPEQXWNWDBWKTF-UHFFFAOYSA-N 1 2 319.317 2.127 20 5 DEBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000923963728 646073611 /nfs/dbraw/zinc/07/36/11/646073611.db2.gz OZJHHSURQPYENN-UHFFFAOYSA-N 1 2 321.308 2.497 20 5 DEBDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000817374158 647279800 /nfs/dbraw/zinc/27/98/00/647279800.db2.gz IHZUYBKKVMLQLK-VXGBXAGGSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000817374158 647279803 /nfs/dbraw/zinc/27/98/03/647279803.db2.gz IHZUYBKKVMLQLK-VXGBXAGGSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)O1 ZINC000068462370 648465667 /nfs/dbraw/zinc/46/56/67/648465667.db2.gz RPXNEVUZDQCRDJ-NSHDSACASA-N 1 2 304.350 2.401 20 5 DEBDLO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)O1 ZINC000068462370 648465670 /nfs/dbraw/zinc/46/56/70/648465670.db2.gz RPXNEVUZDQCRDJ-NSHDSACASA-N 1 2 304.350 2.401 20 5 DEBDLO Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000825640325 648792468 /nfs/dbraw/zinc/79/24/68/648792468.db2.gz CUCNHGNSBVYVQV-LBPRGKRZSA-N 1 2 302.334 2.367 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857853060 652186040 /nfs/dbraw/zinc/18/60/40/652186040.db2.gz KAZPZZJXQQTPJU-CYBMUJFWSA-N 1 2 302.334 2.494 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857853060 652186041 /nfs/dbraw/zinc/18/60/41/652186041.db2.gz KAZPZZJXQQTPJU-CYBMUJFWSA-N 1 2 302.334 2.494 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC000857884651 652195720 /nfs/dbraw/zinc/19/57/20/652195720.db2.gz DWFWCDPQRGDUDT-VIFPVBQESA-N 1 2 320.736 2.108 20 5 DEBDLO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000857979740 652228114 /nfs/dbraw/zinc/22/81/14/652228114.db2.gz DSHJQYCLNHCKRF-BMGYJQCNSA-N 1 2 312.329 2.456 20 5 DEBDLO COC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000852768616 652453458 /nfs/dbraw/zinc/45/34/58/652453458.db2.gz DDIBKWGOWGVLHA-UHFFFAOYSA-N 1 2 311.313 2.054 20 5 DEBDLO C[N@H+](CCCOc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000193384123 685039531 /nfs/dbraw/zinc/03/95/31/685039531.db2.gz NDRZKJKHNOPTNY-UHFFFAOYSA-N 1 2 308.313 2.289 20 5 DEBDLO C[N@@H+](CCCOc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000193384123 685039533 /nfs/dbraw/zinc/03/95/33/685039533.db2.gz NDRZKJKHNOPTNY-UHFFFAOYSA-N 1 2 308.313 2.289 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930652451 694211208 /nfs/dbraw/zinc/21/12/08/694211208.db2.gz JCUKDLLMDDOVAJ-PRHODGIISA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930652451 694211211 /nfs/dbraw/zinc/21/12/11/694211211.db2.gz JCUKDLLMDDOVAJ-PRHODGIISA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872028835 688915661 /nfs/dbraw/zinc/91/56/61/688915661.db2.gz SLZGRSPXAJWDIA-SSDOTTSWSA-N 1 2 323.246 2.063 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000872059995 688920577 /nfs/dbraw/zinc/92/05/77/688920577.db2.gz LGMRBMYJPHUYII-SECBINFHSA-N 1 2 307.379 2.296 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619767 690689742 /nfs/dbraw/zinc/68/97/42/690689742.db2.gz BKAITUBFIPTJJO-NEPJUHHUSA-N 1 2 321.377 2.015 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619767 690689745 /nfs/dbraw/zinc/68/97/45/690689745.db2.gz BKAITUBFIPTJJO-NEPJUHHUSA-N 1 2 321.377 2.015 20 5 DEBDLO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000882279141 691250798 /nfs/dbraw/zinc/25/07/98/691250798.db2.gz CBHMSJLGAZMTQT-LLVKDONJSA-N 1 2 304.281 2.182 20 5 DEBDLO Cc1ccc(C[N@H+](CCO)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886123488 692008054 /nfs/dbraw/zinc/00/80/54/692008054.db2.gz ZSKRAYAHYOQMPX-UHFFFAOYSA-N 1 2 301.346 2.293 20 5 DEBDLO Cc1ccc(C[N@@H+](CCO)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886123488 692008058 /nfs/dbraw/zinc/00/80/58/692008058.db2.gz ZSKRAYAHYOQMPX-UHFFFAOYSA-N 1 2 301.346 2.293 20 5 DEBDLO C[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001333540897 1150062176 /nfs/dbraw/zinc/06/21/76/1150062176.db2.gz NADUWRSRLWCCIV-RYUDHWBXSA-N 1 2 302.334 2.272 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345327254 1150882223 /nfs/dbraw/zinc/88/22/23/1150882223.db2.gz CDTWNCJKUPYEJD-UHFFFAOYSA-N 1 2 319.317 2.392 20 5 DEBDLO Nc1cc(CNc2ccc3nsnc3c2[N+](=O)[O-])cc[nH+]1 ZINC001167616651 777393062 /nfs/dbraw/zinc/39/30/62/777393062.db2.gz LLYWRVBJOYGLIR-UHFFFAOYSA-N 1 2 302.319 2.189 20 5 DEBDLO Cc1c(Br)c(NC[C@@H]2CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000712548556 792200210 /nfs/dbraw/zinc/20/02/10/792200210.db2.gz PCMQAZNDQPULGN-QMMMGPOBSA-N 1 2 315.171 2.177 20 5 DEBDLO Cc1c(Br)c(NC[C@@H]2CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000712548556 792200204 /nfs/dbraw/zinc/20/02/04/792200204.db2.gz PCMQAZNDQPULGN-QMMMGPOBSA-N 1 2 315.171 2.177 20 5 DEBDLO CC(C)OC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897358 793521841 /nfs/dbraw/zinc/52/18/41/793521841.db2.gz ZSGNZOSGXVTKEQ-AWEZNQCLSA-N 1 2 306.362 2.383 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC3(CC(O)C3)C2)c1F ZINC001173185835 793621662 /nfs/dbraw/zinc/62/16/62/793621662.db2.gz POOXXCCUIPZXLQ-JTQLQIEISA-N 1 2 324.352 2.130 20 5 DEBDLO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001116281899 794948673 /nfs/dbraw/zinc/94/86/73/794948673.db2.gz WSJFGLZOZMNNNN-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO C[NH+](C)[C@@H](C(=O)OCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001119347370 795291986 /nfs/dbraw/zinc/29/19/86/795291986.db2.gz HVDGLXOVXWGGQL-CQSZACIVSA-N 1 2 315.329 2.336 20 5 DEBDLO O=c1[nH]ccc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC001185969910 796345595 /nfs/dbraw/zinc/34/55/95/796345595.db2.gz RSQXPTHTHSCKAY-UHFFFAOYSA-N 1 2 311.301 2.493 20 5 DEBDLO O=[N+]([O-])c1ccnc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001158623854 798439881 /nfs/dbraw/zinc/43/98/81/798439881.db2.gz JNUVAHVJZGYXKI-GFCCVEGCSA-N 1 2 312.320 2.300 20 5 DEBDLO CC(=O)NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001158996563 798501727 /nfs/dbraw/zinc/50/17/27/798501727.db2.gz GGGXHUXWCBKMRM-UHFFFAOYSA-N 1 2 309.391 2.315 20 5 DEBDLO CC(=O)NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001158996563 798501730 /nfs/dbraw/zinc/50/17/30/798501730.db2.gz GGGXHUXWCBKMRM-UHFFFAOYSA-N 1 2 309.391 2.315 20 5 DEBDLO Cc1nc(Cl)nc(NC2CN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC001161319627 798826399 /nfs/dbraw/zinc/82/63/99/798826399.db2.gz WKQIBSPTHBGKGB-UHFFFAOYSA-N 1 2 320.740 2.042 20 5 DEBDLO Cc1cc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001162230105 799038388 /nfs/dbraw/zinc/03/83/88/799038388.db2.gz ZVERYJWVXORLIV-UHFFFAOYSA-N 1 2 300.318 2.119 20 5 DEBDLO CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000932973440 799985581 /nfs/dbraw/zinc/98/55/81/799985581.db2.gz ZYAGPINBTDJNFP-RYUDHWBXSA-N 1 2 307.350 2.033 20 5 DEBDLO CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000932973440 799985586 /nfs/dbraw/zinc/98/55/86/799985586.db2.gz ZYAGPINBTDJNFP-RYUDHWBXSA-N 1 2 307.350 2.033 20 5 DEBDLO CC(C)(C)[NH+]1CC(Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229374659 801266435 /nfs/dbraw/zinc/26/64/35/801266435.db2.gz QPQHIKQDKJDTSC-UHFFFAOYSA-N 1 2 318.333 2.105 20 5 DEBDLO C[NH+]1CCC2(CC[C@@H](COc3cccc(O)c3[N+](=O)[O-])O2)CC1 ZINC001225624125 802992495 /nfs/dbraw/zinc/99/24/95/802992495.db2.gz UUFCXMUZRFOEOV-LBPRGKRZSA-N 1 2 322.361 2.323 20 5 DEBDLO COCCn1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001330697735 1149259758 /nfs/dbraw/zinc/25/97/58/1149259758.db2.gz LLCVTKIFPMDLKB-NSHDSACASA-N 1 2 322.340 2.428 20 5 DEBDLO CN(C)c1cc(CSCc2cn(C)nc2[N+](=O)[O-])cc[nH+]1 ZINC001334805813 1150343953 /nfs/dbraw/zinc/34/39/53/1150343953.db2.gz KFJSFBFSELJWSU-UHFFFAOYSA-N 1 2 307.379 2.223 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001450713808 1056461696 /nfs/dbraw/zinc/46/16/96/1056461696.db2.gz LXRUQDCRHDLOMU-GHMZBOCLSA-N 1 2 316.317 2.459 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001450713808 1056461706 /nfs/dbraw/zinc/46/17/06/1056461706.db2.gz LXRUQDCRHDLOMU-GHMZBOCLSA-N 1 2 316.317 2.459 20 5 DEBDLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001460103070 1058259933 /nfs/dbraw/zinc/25/99/33/1058259933.db2.gz BSAYEVXJCZWRGQ-UFBFGSQYSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001460103070 1058259951 /nfs/dbraw/zinc/25/99/51/1058259951.db2.gz BSAYEVXJCZWRGQ-UFBFGSQYSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2c[nH]nc21 ZINC001460601409 1058477868 /nfs/dbraw/zinc/47/78/68/1058477868.db2.gz DGQNHBICNUYZQL-VIFPVBQESA-N 1 2 312.333 2.314 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2c[nH]nc21 ZINC001460601409 1058477883 /nfs/dbraw/zinc/47/78/83/1058477883.db2.gz DGQNHBICNUYZQL-VIFPVBQESA-N 1 2 312.333 2.314 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001612963388 1078115170 /nfs/dbraw/zinc/11/51/70/1078115170.db2.gz OHIRHBLMUVYREK-UHFFFAOYSA-N 1 2 317.305 2.282 20 5 DEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001628863270 1078305008 /nfs/dbraw/zinc/30/50/08/1078305008.db2.gz FEDYKKAWNKEYJY-UHFFFAOYSA-N 1 2 321.368 2.010 20 5 DEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001628863270 1078305009 /nfs/dbraw/zinc/30/50/09/1078305009.db2.gz FEDYKKAWNKEYJY-UHFFFAOYSA-N 1 2 321.368 2.010 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001630567135 1078343953 /nfs/dbraw/zinc/34/39/53/1078343953.db2.gz URWUSPLROGFKCY-JTQLQIEISA-N 1 2 306.709 2.320 20 5 DEBDLO CC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Br ZINC000050105304 1078460409 /nfs/dbraw/zinc/46/04/09/1078460409.db2.gz WDLAESVOUWVGCT-UHFFFAOYSA-N 1 2 303.156 2.172 20 5 DEBDLO CC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Br ZINC000050105304 1078460410 /nfs/dbraw/zinc/46/04/10/1078460410.db2.gz WDLAESVOUWVGCT-UHFFFAOYSA-N 1 2 303.156 2.172 20 5 DEBDLO CCc1[nH]c(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC001646326190 1074415422 /nfs/dbraw/zinc/41/54/22/1074415422.db2.gz WQJDZBOJHBQIKQ-UHFFFAOYSA-N 1 2 302.334 2.048 20 5 DEBDLO CCc1[nH]cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC001646326190 1074415425 /nfs/dbraw/zinc/41/54/25/1074415425.db2.gz WQJDZBOJHBQIKQ-UHFFFAOYSA-N 1 2 302.334 2.048 20 5 DEBDLO Cc1nocc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586345789 1076397112 /nfs/dbraw/zinc/39/71/12/1076397112.db2.gz VUQRLQDNUFFLDZ-UHFFFAOYSA-N 1 2 313.273 2.329 20 5 DEBDLO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC001655505684 1080002520 /nfs/dbraw/zinc/00/25/20/1080002520.db2.gz ODGOUOQKRCQVAP-SECBINFHSA-N 1 2 305.290 2.220 20 5 DEBDLO COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC001657986581 1080192484 /nfs/dbraw/zinc/19/24/84/1080192484.db2.gz ZTCAVOGBWQAUKV-VIFPVBQESA-N 1 2 305.290 2.220 20 5 DEBDLO COc1c(O)ccc(C[NH2+][C@H](C)c2nccnc2C)c1[N+](=O)[O-] ZINC001665591935 1081043294 /nfs/dbraw/zinc/04/32/94/1081043294.db2.gz GCQVUQUFDQGZST-SNVBAGLBSA-N 1 2 318.333 2.258 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000956940602 1087896183 /nfs/dbraw/zinc/89/61/83/1087896183.db2.gz ILEUSAWSDRESBI-ZDUSSCGKSA-N 1 2 301.350 2.472 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])C(F)F)cc1[N+](=O)[O-] ZINC001340002047 1143230219 /nfs/dbraw/zinc/23/02/19/1143230219.db2.gz JFVSKSYYIIHAEZ-WCBMZHEXSA-N 1 2 301.293 2.063 20 5 DEBDLO CC(C)(C)N1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254602532 1143275831 /nfs/dbraw/zinc/27/58/31/1143275831.db2.gz GDPKPHPMZYKYPC-OAHLLOKOSA-N 1 2 317.389 2.005 20 5 DEBDLO CC(C)(C)N1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254602532 1143275846 /nfs/dbraw/zinc/27/58/46/1143275846.db2.gz GDPKPHPMZYKYPC-OAHLLOKOSA-N 1 2 317.389 2.005 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(N3CCC(F)(F)C3)C1)C2 ZINC001254604057 1143276038 /nfs/dbraw/zinc/27/60/38/1143276038.db2.gz UDIOWVHOODUGNC-AWEZNQCLSA-N 1 2 323.343 2.087 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(N3CCC(F)CC3)C1)C2 ZINC001254602098 1143276839 /nfs/dbraw/zinc/27/68/39/1143276839.db2.gz BERHROUMEIIDMP-INIZCTEOSA-N 1 2 319.380 2.180 20 5 DEBDLO CN(C)C(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000330711065 232012261 /nfs/dbraw/zinc/01/22/61/232012261.db2.gz XPVSTORYMBDWTM-UHFFFAOYSA-N 1 2 320.393 2.173 20 5 DEBDLO CN(C)C(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000330711065 232012264 /nfs/dbraw/zinc/01/22/64/232012264.db2.gz XPVSTORYMBDWTM-UHFFFAOYSA-N 1 2 320.393 2.173 20 5 DEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])s1 ZINC000152757003 186098976 /nfs/dbraw/zinc/09/89/76/186098976.db2.gz OUSSMPOOJWSHOD-SNVBAGLBSA-N 1 2 318.358 2.060 20 5 DEBDLO COc1ccc2[nH+]c(NCCn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000152550196 186084336 /nfs/dbraw/zinc/08/43/36/186084336.db2.gz NOCXSQMMRAILON-UHFFFAOYSA-N 1 2 313.317 2.460 20 5 DEBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595475414 358458680 /nfs/dbraw/zinc/45/86/80/358458680.db2.gz OSQDONFSPORZPR-SNVBAGLBSA-N 1 2 322.296 2.202 20 5 DEBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595475414 358458684 /nfs/dbraw/zinc/45/86/84/358458684.db2.gz OSQDONFSPORZPR-SNVBAGLBSA-N 1 2 322.296 2.202 20 5 DEBDLO O=C1N=NC([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)O1 ZINC000595475414 358458687 /nfs/dbraw/zinc/45/86/87/358458687.db2.gz OSQDONFSPORZPR-SNVBAGLBSA-N 1 2 322.296 2.202 20 5 DEBDLO O=C1N=NC([C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)O1 ZINC000595475414 358458691 /nfs/dbraw/zinc/45/86/91/358458691.db2.gz OSQDONFSPORZPR-SNVBAGLBSA-N 1 2 322.296 2.202 20 5 DEBDLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000595482032 358461548 /nfs/dbraw/zinc/46/15/48/358461548.db2.gz RGXXWUKGKNPLBI-SNVBAGLBSA-N 1 2 303.322 2.221 20 5 DEBDLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000595482032 358461551 /nfs/dbraw/zinc/46/15/51/358461551.db2.gz RGXXWUKGKNPLBI-SNVBAGLBSA-N 1 2 303.322 2.221 20 5 DEBDLO C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC[NH2+]CC1 ZINC000423721191 295830918 /nfs/dbraw/zinc/83/09/18/295830918.db2.gz FAKFGSWNEVBACW-JTQLQIEISA-N 1 2 307.350 2.265 20 5 DEBDLO C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000262405873 295830952 /nfs/dbraw/zinc/83/09/52/295830952.db2.gz CSSSEGAVOIIHQT-WDEREUQCSA-N 1 2 307.350 2.265 20 5 DEBDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000048041866 354339849 /nfs/dbraw/zinc/33/98/49/354339849.db2.gz LFXLZDUTMJXTIY-UHFFFAOYSA-N 1 2 320.393 2.174 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000064029248 354661439 /nfs/dbraw/zinc/66/14/39/354661439.db2.gz LSEALEPIGNAWDW-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000074738697 355046168 /nfs/dbraw/zinc/04/61/68/355046168.db2.gz VLTKPDAFRFDQTB-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccn2)CC1 ZINC000075593415 355095303 /nfs/dbraw/zinc/09/53/03/355095303.db2.gz IKMQQQVFRMOLFO-ZDUSSCGKSA-N 1 2 313.361 2.268 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425498829 283209512 /nfs/dbraw/zinc/20/95/12/283209512.db2.gz HJZGDNWLMRPCEA-NSHDSACASA-N 1 2 305.313 2.163 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425498829 283209514 /nfs/dbraw/zinc/20/95/14/283209514.db2.gz HJZGDNWLMRPCEA-NSHDSACASA-N 1 2 305.313 2.163 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000578725031 356861101 /nfs/dbraw/zinc/86/11/01/356861101.db2.gz VWLVUCNCYNTXNC-KGLIPLIRSA-N 1 2 324.356 2.184 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000276857719 213136865 /nfs/dbraw/zinc/13/68/65/213136865.db2.gz FVKDWFHZWDGAKK-MRXNPFEDSA-N 1 2 320.345 2.275 20 5 DEBDLO CCOc1cc(C[N@H+]2CCC[C@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000276857719 213136868 /nfs/dbraw/zinc/13/68/68/213136868.db2.gz FVKDWFHZWDGAKK-MRXNPFEDSA-N 1 2 320.345 2.275 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)cc1OC(F)F ZINC000590567483 357557969 /nfs/dbraw/zinc/55/79/69/357557969.db2.gz JCIJVWOAXFLDNS-UHFFFAOYSA-N 1 2 310.260 2.482 20 5 DEBDLO C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000593168993 358025692 /nfs/dbraw/zinc/02/56/92/358025692.db2.gz FPWDIXRQRPNJCG-SKDRFNHKSA-N 1 2 318.308 2.295 20 5 DEBDLO CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276679181 213041672 /nfs/dbraw/zinc/04/16/72/213041672.db2.gz VXFYUFNNPGXVHI-CQSZACIVSA-N 1 2 318.333 2.210 20 5 DEBDLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054348 358383645 /nfs/dbraw/zinc/38/36/45/358383645.db2.gz LUPJTVYNUUGAHS-JTQLQIEISA-N 1 2 305.338 2.066 20 5 DEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595812782 358554855 /nfs/dbraw/zinc/55/48/55/358554855.db2.gz YVSMXYQRXZYDCH-RYUDHWBXSA-N 1 2 319.361 2.274 20 5 DEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595812782 358554858 /nfs/dbraw/zinc/55/48/58/358554858.db2.gz YVSMXYQRXZYDCH-RYUDHWBXSA-N 1 2 319.361 2.274 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CCc3[nH+]c[nH]c3C2)c(C(F)(F)F)c1 ZINC000596236664 358648255 /nfs/dbraw/zinc/64/82/55/358648255.db2.gz KDIILXMXYRTUHN-UHFFFAOYSA-N 1 2 313.239 2.294 20 5 DEBDLO O=[N+]([O-])c1ncccc1NCC1CC[NH+](CC(F)F)CC1 ZINC000596240421 358649917 /nfs/dbraw/zinc/64/99/17/358649917.db2.gz XQBNGNOKRYVVBP-UHFFFAOYSA-N 1 2 300.309 2.379 20 5 DEBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596255851 358653090 /nfs/dbraw/zinc/65/30/90/358653090.db2.gz ZGROYPJPJAZOES-UHFFFAOYSA-N 1 2 314.345 2.442 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596430664 358684677 /nfs/dbraw/zinc/68/46/77/358684677.db2.gz MSQLVGOFGWFQJL-ZJUUUORDSA-N 1 2 314.773 2.164 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596430664 358684679 /nfs/dbraw/zinc/68/46/79/358684679.db2.gz MSQLVGOFGWFQJL-ZJUUUORDSA-N 1 2 314.773 2.164 20 5 DEBDLO CCOC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599161468 359419746 /nfs/dbraw/zinc/41/97/46/359419746.db2.gz XXLOPWNABWILDX-AWEZNQCLSA-N 1 2 317.345 2.385 20 5 DEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000428361620 237138539 /nfs/dbraw/zinc/13/85/39/237138539.db2.gz GKXOMYXOWHQSDU-JTQLQIEISA-N 1 2 320.736 2.190 20 5 DEBDLO Cn1c[nH+]cc1C[S@@](=O)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000600903652 359856027 /nfs/dbraw/zinc/85/60/27/359856027.db2.gz OQWPAUWVSXEJOI-QFIPXVFZSA-N 1 2 323.374 2.046 20 5 DEBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000602438595 360373622 /nfs/dbraw/zinc/37/36/22/360373622.db2.gz FYYCIRLNCDQLCR-UHFFFAOYSA-N 1 2 305.290 2.001 20 5 DEBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000602438595 360373626 /nfs/dbraw/zinc/37/36/26/360373626.db2.gz FYYCIRLNCDQLCR-UHFFFAOYSA-N 1 2 305.290 2.001 20 5 DEBDLO Cc1cc(N2CC([C@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000603410341 360823695 /nfs/dbraw/zinc/82/36/95/360823695.db2.gz RLKIQZKKYCKKJE-NSHDSACASA-N 1 2 314.345 2.177 20 5 DEBDLO COc1cc(C[NH2+]Cc2ccc(C)cn2)c([N+](=O)[O-])cc1O ZINC000603433735 360831191 /nfs/dbraw/zinc/83/11/91/360831191.db2.gz VRFJLJMVWFZVAR-UHFFFAOYSA-N 1 2 303.318 2.302 20 5 DEBDLO Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1 ZINC000609354882 361305236 /nfs/dbraw/zinc/30/52/36/361305236.db2.gz SELHPLRCWVMHRF-UHFFFAOYSA-N 1 2 313.313 2.202 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354802 361305687 /nfs/dbraw/zinc/30/56/87/361305687.db2.gz PBIDVZLKOVSEPY-UHFFFAOYSA-N 1 2 313.313 2.202 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCCC1 ZINC000448554937 239382410 /nfs/dbraw/zinc/38/24/10/239382410.db2.gz OBZPZGWCAHHDOP-UHFFFAOYSA-N 1 2 300.318 2.407 20 5 DEBDLO COc1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000275518046 212388575 /nfs/dbraw/zinc/38/85/75/212388575.db2.gz UPWOSGAGNZELMZ-AWEZNQCLSA-N 1 2 312.341 2.335 20 5 DEBDLO COc1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000275518046 212388578 /nfs/dbraw/zinc/38/85/78/212388578.db2.gz UPWOSGAGNZELMZ-AWEZNQCLSA-N 1 2 312.341 2.335 20 5 DEBDLO CC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)O ZINC000450788598 242221137 /nfs/dbraw/zinc/22/11/37/242221137.db2.gz CHXAFNGXBPRHJD-SMDDNHRTSA-N 1 2 316.361 2.353 20 5 DEBDLO CN1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000093642544 193278785 /nfs/dbraw/zinc/27/87/85/193278785.db2.gz DEOFVRQNXLIPBA-SOFGYWHQSA-N 1 2 303.362 2.161 20 5 DEBDLO CN1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000093642544 193278786 /nfs/dbraw/zinc/27/87/86/193278786.db2.gz DEOFVRQNXLIPBA-SOFGYWHQSA-N 1 2 303.362 2.161 20 5 DEBDLO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271680208 209121620 /nfs/dbraw/zinc/12/16/20/209121620.db2.gz BJHYGKRRSUYGQI-LLVKDONJSA-N 1 2 301.293 2.017 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000456356463 247117382 /nfs/dbraw/zinc/11/73/82/247117382.db2.gz OYHLGCPTXMGJHY-JTQLQIEISA-N 1 2 318.333 2.311 20 5 DEBDLO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159404583 197351792 /nfs/dbraw/zinc/35/17/92/197351792.db2.gz RQBGUQOULJIPPX-UHFFFAOYSA-N 1 2 318.333 2.016 20 5 DEBDLO Cc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157023660 197156216 /nfs/dbraw/zinc/15/62/16/197156216.db2.gz CBUQXYPNLWFFQJ-AWEZNQCLSA-N 1 2 324.402 2.055 20 5 DEBDLO Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157023660 197156218 /nfs/dbraw/zinc/15/62/18/197156218.db2.gz CBUQXYPNLWFFQJ-AWEZNQCLSA-N 1 2 324.402 2.055 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(CCO)CC2)c(F)c1 ZINC000560463304 291935667 /nfs/dbraw/zinc/93/56/67/291935667.db2.gz MBRJGPRSHAWWAD-UHFFFAOYSA-N 1 2 300.305 2.467 20 5 DEBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296607307 533469594 /nfs/dbraw/zinc/46/95/94/533469594.db2.gz WBZDUFRUKUCWBN-MRVPVSSYSA-N 1 2 302.338 2.023 20 5 DEBDLO Cc1[nH]ncc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358149711 133124695 /nfs/dbraw/zinc/12/46/95/133124695.db2.gz GFIGZKDDYLCSBP-JTQLQIEISA-N 1 2 317.349 2.133 20 5 DEBDLO CC[C@@H]1C[N@H+](CCNc2nc(C)cc(C)c2[N+](=O)[O-])CCO1 ZINC000362681976 133245133 /nfs/dbraw/zinc/24/51/33/133245133.db2.gz VCACJZIKQYHPJX-CYBMUJFWSA-N 1 2 308.382 2.129 20 5 DEBDLO CC[C@@H]1C[N@@H+](CCNc2nc(C)cc(C)c2[N+](=O)[O-])CCO1 ZINC000362681976 133245134 /nfs/dbraw/zinc/24/51/34/133245134.db2.gz VCACJZIKQYHPJX-CYBMUJFWSA-N 1 2 308.382 2.129 20 5 DEBDLO CSc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000188151927 145007583 /nfs/dbraw/zinc/00/75/83/145007583.db2.gz ZWZIJOWIEASMFI-UHFFFAOYSA-N 1 2 306.347 2.012 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000349202337 146359088 /nfs/dbraw/zinc/35/90/88/146359088.db2.gz PTUZXGDAEPPUQX-QMMMGPOBSA-N 1 2 306.297 2.185 20 5 DEBDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000349204883 146359235 /nfs/dbraw/zinc/35/92/35/146359235.db2.gz VMJMZKOPJYSTJD-NXEZZACHSA-N 1 2 304.306 2.261 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371042546 148057456 /nfs/dbraw/zinc/05/74/56/148057456.db2.gz JEMFKIDURVTPCO-LBPRGKRZSA-N 1 2 314.345 2.266 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374506008 148254187 /nfs/dbraw/zinc/25/41/87/148254187.db2.gz PDDORRYALUMUOM-GFCCVEGCSA-N 1 2 304.281 2.434 20 5 DEBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126583735 401700096 /nfs/dbraw/zinc/70/00/96/401700096.db2.gz MYHAPTNTKYEADZ-ZRNGKTOUSA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126583735 401700097 /nfs/dbraw/zinc/70/00/97/401700097.db2.gz MYHAPTNTKYEADZ-ZRNGKTOUSA-N 1 2 304.799 2.447 20 5 DEBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000112998975 401764909 /nfs/dbraw/zinc/76/49/09/401764909.db2.gz LZIAHHJSIIHRRZ-GFCCVEGCSA-N 1 2 314.407 2.240 20 5 DEBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000112998975 401764911 /nfs/dbraw/zinc/76/49/11/401764911.db2.gz LZIAHHJSIIHRRZ-GFCCVEGCSA-N 1 2 314.407 2.240 20 5 DEBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339192104 286121439 /nfs/dbraw/zinc/12/14/39/286121439.db2.gz KLUVPGDCARFQNI-TXBJDVRTSA-N 1 2 304.346 2.156 20 5 DEBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339192104 286121441 /nfs/dbraw/zinc/12/14/41/286121441.db2.gz KLUVPGDCARFQNI-TXBJDVRTSA-N 1 2 304.346 2.156 20 5 DEBDLO C[C@@H]1SCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118418964 401898208 /nfs/dbraw/zinc/89/82/08/401898208.db2.gz NPVJTWUBMURWBU-RYUDHWBXSA-N 1 2 323.418 2.383 20 5 DEBDLO C[C@@H]1SCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118418964 401898209 /nfs/dbraw/zinc/89/82/09/401898209.db2.gz 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O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC1CC1 ZINC000178000080 402450976 /nfs/dbraw/zinc/45/09/76/402450976.db2.gz UCYNBZJDUUMVPW-UHFFFAOYSA-N 1 2 303.362 2.085 20 5 DEBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC1CC1 ZINC000178000080 402450980 /nfs/dbraw/zinc/45/09/80/402450980.db2.gz UCYNBZJDUUMVPW-UHFFFAOYSA-N 1 2 303.362 2.085 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172174385 402643939 /nfs/dbraw/zinc/64/39/39/402643939.db2.gz NOOZQFWSHZAYDP-ZDUSSCGKSA-N 1 2 311.769 2.301 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172174385 402643942 /nfs/dbraw/zinc/64/39/42/402643942.db2.gz NOOZQFWSHZAYDP-ZDUSSCGKSA-N 1 2 311.769 2.301 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250040668 402644449 /nfs/dbraw/zinc/64/44/49/402644449.db2.gz DIIWIRLAOVFFQX-VXGBXAGGSA-N 1 2 321.377 2.421 20 5 DEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250040668 402644451 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NC(=O)N1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413173056 228286232 /nfs/dbraw/zinc/28/62/32/228286232.db2.gz QIVZDPZVGXQTBE-NSHDSACASA-N 1 2 315.333 2.098 20 5 DEBDLO Cc1cc(NC[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299397434 229096769 /nfs/dbraw/zinc/09/67/69/229096769.db2.gz VYGGNNVOKWSSRX-JTQLQIEISA-N 1 2 302.334 2.401 20 5 DEBDLO O=[N+]([O-])c1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1 ZINC000369152096 424874753 /nfs/dbraw/zinc/87/47/53/424874753.db2.gz KVBATTRILDSDEH-UHFFFAOYSA-N 1 2 307.313 3.059 20 5 DEBDLO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000395718075 269102456 /nfs/dbraw/zinc/10/24/56/269102456.db2.gz BAOWDOUAYCFQDB-UHFFFAOYSA-N 1 2 309.366 2.151 20 5 DEBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000517727065 269390729 /nfs/dbraw/zinc/39/07/29/269390729.db2.gz FCYLERLCEMNZQC-UHFFFAOYSA-N 1 2 306.297 2.141 20 5 DEBDLO CCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339214114 276250691 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O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](O)C2)c1Br ZINC000236527134 625142238 /nfs/dbraw/zinc/14/22/38/625142238.db2.gz SYHOWFRKHTUMGH-SNVBAGLBSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1Br ZINC000236527134 625142240 /nfs/dbraw/zinc/14/22/40/625142240.db2.gz SYHOWFRKHTUMGH-SNVBAGLBSA-N 1 2 315.167 2.314 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)cc1Cl ZINC000836498396 650098769 /nfs/dbraw/zinc/09/87/69/650098769.db2.gz FGPIXKQNSIAYRG-UHFFFAOYSA-N 1 2 323.780 2.477 20 5 DEBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC000922962263 636887462 /nfs/dbraw/zinc/88/74/62/636887462.db2.gz MTPUWQGNDJBYRT-UHFFFAOYSA-N 1 2 305.359 2.414 20 5 DEBDLO Cc1nn(C[N@H+]2CCSC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749956660 638697899 /nfs/dbraw/zinc/69/78/99/638697899.db2.gz YROFWGXZFXKVSW-SECBINFHSA-N 1 2 307.379 2.043 20 5 DEBDLO Cc1nn(C[N@@H+]2CCSC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749956660 638697906 /nfs/dbraw/zinc/69/79/06/638697906.db2.gz 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322.361 2.046 20 5 DEBDLO Cc1csc(C[C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000902537805 643059636 /nfs/dbraw/zinc/05/96/36/643059636.db2.gz DFMRTMRIWADUCA-NSHDSACASA-N 1 2 307.379 2.078 20 5 DEBDLO Cc1csc(C[C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000902537805 643059641 /nfs/dbraw/zinc/05/96/41/643059641.db2.gz DFMRTMRIWADUCA-NSHDSACASA-N 1 2 307.379 2.078 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)c1 ZINC000902625928 643089518 /nfs/dbraw/zinc/08/95/18/643089518.db2.gz KGDKMSZETVBVHR-ZDUSSCGKSA-N 1 2 320.324 2.431 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)c1 ZINC000902625928 643089524 /nfs/dbraw/zinc/08/95/24/643089524.db2.gz KGDKMSZETVBVHR-ZDUSSCGKSA-N 1 2 320.324 2.431 20 5 DEBDLO CC(C)(O)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676112 643261613 /nfs/dbraw/zinc/26/16/13/643261613.db2.gz PYBICYPMSAOTQY-UHFFFAOYSA-N 1 2 319.317 2.098 20 5 DEBDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000785732336 643270349 /nfs/dbraw/zinc/27/03/49/643270349.db2.gz PREKAAQUOWPGNG-TXEJJXNPSA-N 1 2 320.345 2.194 20 5 DEBDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000785732336 643270355 /nfs/dbraw/zinc/27/03/55/643270355.db2.gz PREKAAQUOWPGNG-TXEJJXNPSA-N 1 2 320.345 2.194 20 5 DEBDLO CCN1CCC[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000903389448 643339079 /nfs/dbraw/zinc/33/90/79/643339079.db2.gz VLSOHSJBCGKTMN-ZYHUDNBSSA-N 1 2 309.341 2.395 20 5 DEBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(N(C)C)[nH+]1 ZINC000787141371 643458103 /nfs/dbraw/zinc/45/81/03/643458103.db2.gz QSHLMNKFMIOZCT-UHFFFAOYSA-N 1 2 315.333 2.199 20 5 DEBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)(C(N)=O)c1ccccc1 ZINC000788485182 643615787 /nfs/dbraw/zinc/61/57/87/643615787.db2.gz KAUYZAATALSOJM-MRXNPFEDSA-N 1 2 317.320 2.224 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000793241345 644213515 /nfs/dbraw/zinc/21/35/15/644213515.db2.gz 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C[C@@H](COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813110142 646730397 /nfs/dbraw/zinc/73/03/97/646730397.db2.gz ZWHNFQDKFLAACE-ZFWWWQNUSA-N 1 2 306.362 2.250 20 5 DEBDLO CC(C)CC[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000068961153 648515123 /nfs/dbraw/zinc/51/51/23/648515123.db2.gz RMXHPMUHTOOKEP-UHFFFAOYSA-N 1 2 305.334 2.126 20 5 DEBDLO CC(C)CC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000068961153 648515125 /nfs/dbraw/zinc/51/51/25/648515125.db2.gz RMXHPMUHTOOKEP-UHFFFAOYSA-N 1 2 305.334 2.126 20 5 DEBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000825738741 648808539 /nfs/dbraw/zinc/80/85/39/648808539.db2.gz SGUVNWGTXFZWHE-SNVBAGLBSA-N 1 2 318.308 2.477 20 5 DEBDLO Cc1cccn2cc(CCNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]c12 ZINC000826584359 648883798 /nfs/dbraw/zinc/88/37/98/648883798.db2.gz FAPIUTVQGQFZGC-UHFFFAOYSA-N 1 2 318.377 2.137 20 5 DEBDLO COc1ccc(C2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000844712083 651159031 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2.469 20 5 DEBDLO COc1cccc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596432759 358686002 /nfs/dbraw/zinc/68/60/02/358686002.db2.gz SLCWJCCCCSBRFQ-RYUDHWBXSA-N 1 2 309.366 2.125 20 5 DEBDLO COc1cccc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596432759 358686004 /nfs/dbraw/zinc/68/60/04/358686004.db2.gz SLCWJCCCCSBRFQ-RYUDHWBXSA-N 1 2 309.366 2.125 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464634 359207929 /nfs/dbraw/zinc/20/79/29/359207929.db2.gz KKOXDDOAHFEILZ-LLVKDONJSA-N 1 2 302.334 2.436 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601617518 360088669 /nfs/dbraw/zinc/08/86/69/360088669.db2.gz SPCJXXKMLYSVNS-WCBMZHEXSA-N 1 2 304.281 2.366 20 5 DEBDLO O=C(CCCn1cc[nH+]c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604527700 360913985 /nfs/dbraw/zinc/91/39/85/360913985.db2.gz PRLIGHSIPZTWRX-UHFFFAOYSA-N 1 2 300.318 2.161 20 5 DEBDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609704715 361334902 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Cc1c(CC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456437247 247193289 /nfs/dbraw/zinc/19/32/89/247193289.db2.gz WWZFNNZEMAODTJ-ZWNOBZJWSA-N 1 2 314.345 2.464 20 5 DEBDLO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456441705 247196779 /nfs/dbraw/zinc/19/67/79/247196779.db2.gz ZKPNZJKVRSEBHE-NOZJJQNGSA-N 1 2 318.308 2.295 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000492494134 249076260 /nfs/dbraw/zinc/07/62/60/249076260.db2.gz PUXPFHCVWMFBLM-VOTSOKGWSA-N 1 2 301.306 2.167 20 5 DEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492801848 249143911 /nfs/dbraw/zinc/14/39/11/249143911.db2.gz ZOECOHJBLBBTKC-VOTSOKGWSA-N 1 2 300.318 2.032 20 5 DEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000112999745 285103835 /nfs/dbraw/zinc/10/38/35/285103835.db2.gz XHOXEADTBZKJFS-LBPRGKRZSA-N 1 2 314.407 2.240 20 5 DEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000112999745 285103838 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DEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377709723 133342750 /nfs/dbraw/zinc/34/27/50/133342750.db2.gz ZLVQFDIKQHNVDJ-XXMIHFJBSA-N 1 2 318.373 2.488 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377709723 133342751 /nfs/dbraw/zinc/34/27/51/133342751.db2.gz ZLVQFDIKQHNVDJ-XXMIHFJBSA-N 1 2 318.373 2.488 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120471045 144672787 /nfs/dbraw/zinc/67/27/87/144672787.db2.gz BMVDZZGGRZARKN-LLVKDONJSA-N 1 2 319.342 2.345 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000348333761 146256957 /nfs/dbraw/zinc/25/69/57/146256957.db2.gz YVUTWGNEIRTRPX-UHFFFAOYSA-N 1 2 301.302 2.237 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349232993 146360139 /nfs/dbraw/zinc/36/01/39/146360139.db2.gz CFPMIDSBCPKDKC-SNVBAGLBSA-N 1 2 304.306 2.181 20 5 DEBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccon1 ZINC000349237620 146360918 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DEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000170768270 402522691 /nfs/dbraw/zinc/52/26/91/402522691.db2.gz NFPCSIGTTLANDR-DGCLKSJQSA-N 1 2 321.377 2.341 20 5 DEBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](O)C(F)(F)F ZINC000189456207 402538317 /nfs/dbraw/zinc/53/83/17/402538317.db2.gz HKPILAFQVOFGQO-LBPRGKRZSA-N 1 2 322.283 2.349 20 5 DEBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](O)C(F)(F)F ZINC000189456207 402538321 /nfs/dbraw/zinc/53/83/21/402538321.db2.gz HKPILAFQVOFGQO-LBPRGKRZSA-N 1 2 322.283 2.349 20 5 DEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)C(C)C ZINC000170906383 402540437 /nfs/dbraw/zinc/54/04/37/402540437.db2.gz BGQDEPQRHPVNJO-UHFFFAOYSA-N 1 2 309.366 2.078 20 5 DEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)C(C)C ZINC000170906383 402540439 /nfs/dbraw/zinc/54/04/39/402540439.db2.gz BGQDEPQRHPVNJO-UHFFFAOYSA-N 1 2 309.366 2.078 20 5 DEBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000180969569 402631028 /nfs/dbraw/zinc/63/10/28/402631028.db2.gz PZNHNSQACOEGHI-UHFFFAOYSA-N 1 2 315.333 2.273 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250110097 402644841 /nfs/dbraw/zinc/64/48/41/402644841.db2.gz KBVNQEZNFVTDHI-VXGBXAGGSA-N 1 2 321.377 2.421 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250110097 402644843 /nfs/dbraw/zinc/64/48/43/402644843.db2.gz KBVNQEZNFVTDHI-VXGBXAGGSA-N 1 2 321.377 2.421 20 5 DEBDLO Cc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc[nH+]1 ZINC000181820651 402657659 /nfs/dbraw/zinc/65/76/59/402657659.db2.gz WXKNXYAUMJZYQZ-UHFFFAOYSA-N 1 2 301.258 2.279 20 5 DEBDLO Cc1cccn2cc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000173615071 402704827 /nfs/dbraw/zinc/70/48/27/402704827.db2.gz AYTNNDHJQPYNAZ-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO CCOC(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255517894 402689865 /nfs/dbraw/zinc/68/98/65/402689865.db2.gz FVFIXLGEBQMOAA-ALCCZGGFSA-N 1 2 319.361 2.382 20 5 DEBDLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000193099341 402764640 /nfs/dbraw/zinc/76/46/40/402764640.db2.gz GVFIOCMBYUHGBZ-YRGRVCCFSA-N 1 2 306.362 2.457 20 5 DEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000184343509 402836656 /nfs/dbraw/zinc/83/66/56/402836656.db2.gz USLIKHMJQUIEGY-ZDUSSCGKSA-N 1 2 315.333 2.268 20 5 DEBDLO Cc1ccnc(N2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000265158665 402897136 /nfs/dbraw/zinc/89/71/36/402897136.db2.gz DJHIETZBYSCFHA-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO CCc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000266960773 403003197 /nfs/dbraw/zinc/00/31/97/403003197.db2.gz WFMHAJWQHZZFQU-LLVKDONJSA-N 1 2 302.334 2.172 20 5 DEBDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267019297 403008563 /nfs/dbraw/zinc/00/85/63/403008563.db2.gz JVTMECIQSFGCHV-UHFFFAOYSA-N 1 2 323.368 2.471 20 5 DEBDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271190053 403276047 /nfs/dbraw/zinc/27/60/47/403276047.db2.gz MTFMWOFMYXEQEQ-UHFFFAOYSA-N 1 2 313.785 2.452 20 5 DEBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271190053 403276049 /nfs/dbraw/zinc/27/60/49/403276049.db2.gz MTFMWOFMYXEQEQ-UHFFFAOYSA-N 1 2 313.785 2.452 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000330604561 403287294 /nfs/dbraw/zinc/28/72/94/403287294.db2.gz HANHSUHHENECEJ-NEPJUHHUSA-N 1 2 320.267 2.188 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000330604561 403287296 /nfs/dbraw/zinc/28/72/96/403287296.db2.gz HANHSUHHENECEJ-NEPJUHHUSA-N 1 2 320.267 2.188 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331180793 403347113 /nfs/dbraw/zinc/34/71/13/403347113.db2.gz ZBLHJYFVIRBXIB-UHFFFAOYSA-N 1 2 316.304 2.195 20 5 DEBDLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000294202812 403672353 /nfs/dbraw/zinc/67/23/53/403672353.db2.gz TVSDCZCGWNPVQW-UHFFFAOYSA-N 1 2 302.334 2.302 20 5 DEBDLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294210200 403673593 /nfs/dbraw/zinc/67/35/93/403673593.db2.gz UDCCKKQKEUCTSK-UHFFFAOYSA-N 1 2 302.334 2.220 20 5 DEBDLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294210200 403673595 /nfs/dbraw/zinc/67/35/95/403673595.db2.gz UDCCKKQKEUCTSK-UHFFFAOYSA-N 1 2 302.334 2.220 20 5 DEBDLO C[C@H]1C[NH+]=C(N2CCN(c3sccc3[N+](=O)[O-])CC2)S1 ZINC000301920032 403700817 /nfs/dbraw/zinc/70/08/17/403700817.db2.gz COUXNBONLLALOG-VIFPVBQESA-N 1 2 312.420 2.270 20 5 DEBDLO CCc1nn(C)c(NCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000288075372 403719604 /nfs/dbraw/zinc/71/96/04/403719604.db2.gz HGCFWFYREWLEAA-UHFFFAOYSA-N 1 2 314.349 2.422 20 5 DEBDLO CC(C)COC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000347644681 403789645 /nfs/dbraw/zinc/78/96/45/403789645.db2.gz WYJBLPYSTICVAO-LBPRGKRZSA-N 1 2 322.365 2.425 20 5 DEBDLO Cc1csc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C2CC2)n1 ZINC000347788853 403870404 /nfs/dbraw/zinc/87/04/04/403870404.db2.gz JWBGMVHGVPEFDT-LLVKDONJSA-N 1 2 307.379 2.334 20 5 DEBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(C(F)F)CCCCC1 ZINC000352187183 404201468 /nfs/dbraw/zinc/20/14/68/404201468.db2.gz PZUCPKJMQBNGGJ-UHFFFAOYSA-N 1 2 315.320 2.314 20 5 DEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000363890275 404240172 /nfs/dbraw/zinc/24/01/72/404240172.db2.gz CTSFGQISMBYIDG-UHFFFAOYSA-N 1 2 314.345 2.100 20 5 DEBDLO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000291609874 404446416 /nfs/dbraw/zinc/44/64/16/404446416.db2.gz SMYXMULKJAZEFU-LLVKDONJSA-N 1 2 309.366 2.151 20 5 DEBDLO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000291609874 404446422 /nfs/dbraw/zinc/44/64/22/404446422.db2.gz SMYXMULKJAZEFU-LLVKDONJSA-N 1 2 309.366 2.151 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCn2c[nH+]cc2C1 ZINC000291826732 404539120 /nfs/dbraw/zinc/53/91/20/404539120.db2.gz FNISOHQHMJIHQJ-UHFFFAOYSA-N 1 2 320.736 2.030 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(CO)cc1)CCO2 ZINC000352709079 404565112 /nfs/dbraw/zinc/56/51/12/404565112.db2.gz ZDZBOFJWOFJUKI-UHFFFAOYSA-N 1 2 314.341 2.482 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(CO)cc1)CCO2 ZINC000352709079 404565118 /nfs/dbraw/zinc/56/51/18/404565118.db2.gz ZDZBOFJWOFJUKI-UHFFFAOYSA-N 1 2 314.341 2.482 20 5 DEBDLO Cc1nn(C)cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356516052 404567888 /nfs/dbraw/zinc/56/78/88/404567888.db2.gz AYPSWPOOFFQIKJ-UHFFFAOYSA-N 1 2 302.334 2.031 20 5 DEBDLO Cc1nn(C)cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356516052 404567895 /nfs/dbraw/zinc/56/78/95/404567895.db2.gz AYPSWPOOFFQIKJ-UHFFFAOYSA-N 1 2 302.334 2.031 20 5 DEBDLO CCn1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000414478788 404647628 /nfs/dbraw/zinc/64/76/28/404647628.db2.gz GYGXDRPIVNCGMZ-UHFFFAOYSA-N 1 2 320.349 2.118 20 5 DEBDLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000374051128 404680036 /nfs/dbraw/zinc/68/00/36/404680036.db2.gz MOPBXEINRIVHCQ-LLVKDONJSA-N 1 2 312.329 2.327 20 5 DEBDLO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000375374766 404721964 /nfs/dbraw/zinc/72/19/64/404721964.db2.gz BIAYGSLPDUPPDK-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000375374766 404721969 /nfs/dbraw/zinc/72/19/69/404721969.db2.gz BIAYGSLPDUPPDK-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO CC(C)[C@@H]1CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353034014 404727923 /nfs/dbraw/zinc/72/79/23/404727923.db2.gz ZKVJHVIGSGCLBI-AWEZNQCLSA-N 1 2 312.391 2.099 20 5 DEBDLO CC(C)[C@@H]1CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353034014 404727925 /nfs/dbraw/zinc/72/79/25/404727925.db2.gz ZKVJHVIGSGCLBI-AWEZNQCLSA-N 1 2 312.391 2.099 20 5 DEBDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376034637 404792590 /nfs/dbraw/zinc/79/25/90/404792590.db2.gz LSJGDQGMUUCZTH-LBPRGKRZSA-N 1 2 324.381 2.160 20 5 DEBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000353433482 404830001 /nfs/dbraw/zinc/83/00/01/404830001.db2.gz GLFBDTOHFFSWRR-LSDHHAIUSA-N 1 2 316.361 2.186 20 5 DEBDLO CCC[C@@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353521732 404856037 /nfs/dbraw/zinc/85/60/37/404856037.db2.gz SIEPKMCLLBCJEU-CABCVRRESA-N 1 2 318.377 2.168 20 5 DEBDLO CCC[C@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353521734 404856079 /nfs/dbraw/zinc/85/60/79/404856079.db2.gz SIEPKMCLLBCJEU-GJZGRUSLSA-N 1 2 318.377 2.168 20 5 DEBDLO CC[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000353557726 404865389 /nfs/dbraw/zinc/86/53/89/404865389.db2.gz IHPNYKAHYMUTMG-CABCVRRESA-N 1 2 318.377 2.432 20 5 DEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000436886843 405156954 /nfs/dbraw/zinc/15/69/54/405156954.db2.gz UOZJDTGYQYVHIA-NEPJUHHUSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCC[C@@H](C)C1 ZINC000436886843 405156962 /nfs/dbraw/zinc/15/69/62/405156962.db2.gz UOZJDTGYQYVHIA-NEPJUHHUSA-N 1 2 321.377 2.151 20 5 DEBDLO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436927717 405163453 /nfs/dbraw/zinc/16/34/53/405163453.db2.gz OUKIUMMSTXTVFX-LLVKDONJSA-N 1 2 309.366 2.151 20 5 DEBDLO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436927717 405163458 /nfs/dbraw/zinc/16/34/58/405163458.db2.gz OUKIUMMSTXTVFX-LLVKDONJSA-N 1 2 309.366 2.151 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000421746949 405625512 /nfs/dbraw/zinc/62/55/12/405625512.db2.gz ARVQEKJQBPKKIT-GFCCVEGCSA-N 1 2 302.334 2.227 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000421746950 405626792 /nfs/dbraw/zinc/62/67/92/405626792.db2.gz ARVQEKJQBPKKIT-LBPRGKRZSA-N 1 2 302.334 2.227 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(F)(F)C1 ZINC000450429731 405892445 /nfs/dbraw/zinc/89/24/45/405892445.db2.gz MVZBXGCTVAZIKW-UHFFFAOYSA-N 1 2 322.271 2.262 20 5 DEBDLO CCOc1cc(NCC[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000486933632 406190149 /nfs/dbraw/zinc/19/01/49/406190149.db2.gz FXGNQYMBERIAJL-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CCOc1cc(NCC[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000486933632 406190154 /nfs/dbraw/zinc/19/01/54/406190154.db2.gz FXGNQYMBERIAJL-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000546899525 406387096 /nfs/dbraw/zinc/38/70/96/406387096.db2.gz XLCNDSSXZNJIHX-CYBMUJFWSA-N 1 2 310.317 2.320 20 5 DEBDLO Cc1nc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000132834655 196287761 /nfs/dbraw/zinc/28/77/61/196287761.db2.gz PHERQAILMQKDEA-UHFFFAOYSA-N 1 2 315.333 2.273 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000295877091 225338305 /nfs/dbraw/zinc/33/83/05/225338305.db2.gz FQEAVKKUNJTVMX-IXDOHACOSA-N 1 2 318.373 2.272 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000295877091 225338306 /nfs/dbraw/zinc/33/83/06/225338306.db2.gz FQEAVKKUNJTVMX-IXDOHACOSA-N 1 2 318.373 2.272 20 5 DEBDLO COCCO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413245898 228295815 /nfs/dbraw/zinc/29/58/15/228295815.db2.gz KIOKKQZBLCEFBG-AWEZNQCLSA-N 1 2 317.345 2.385 20 5 DEBDLO CC(C)Oc1nc(NC[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000582431015 424978711 /nfs/dbraw/zinc/97/87/11/424978711.db2.gz PJKYHRDHFFPBCE-GFCCVEGCSA-N 1 2 319.365 2.722 20 5 DEBDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775115 278150738 /nfs/dbraw/zinc/15/07/38/278150738.db2.gz IWIHAPKJWLJDBI-SECBINFHSA-N 1 2 319.283 2.094 20 5 DEBDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775115 278150740 /nfs/dbraw/zinc/15/07/40/278150740.db2.gz IWIHAPKJWLJDBI-SECBINFHSA-N 1 2 319.283 2.094 20 5 DEBDLO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ncn(C)n1 ZINC000278856393 278282355 /nfs/dbraw/zinc/28/23/55/278282355.db2.gz WBBBTNWBLSTFMF-HZMBPMFUSA-N 1 2 301.350 2.452 20 5 DEBDLO C[C@@]1(F)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000347360494 279165564 /nfs/dbraw/zinc/16/55/64/279165564.db2.gz UWRSRZZKIVTJKX-DZGCQCFKSA-N 1 2 307.325 2.134 20 5 DEBDLO C[C@@]1(F)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000347360494 279165566 /nfs/dbraw/zinc/16/55/66/279165566.db2.gz UWRSRZZKIVTJKX-DZGCQCFKSA-N 1 2 307.325 2.134 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428542 280372396 /nfs/dbraw/zinc/37/23/96/280372396.db2.gz KTZDKKNTLYFJPX-LBPRGKRZSA-N 1 2 306.696 2.450 20 5 DEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428542 280372399 /nfs/dbraw/zinc/37/23/99/280372399.db2.gz KTZDKKNTLYFJPX-LBPRGKRZSA-N 1 2 306.696 2.450 20 5 DEBDLO CC(C)Oc1nc(N2CC(n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000576717624 326314535 /nfs/dbraw/zinc/31/45/35/326314535.db2.gz KUBUCLPNJGAKID-UHFFFAOYSA-N 1 2 303.322 2.035 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nncn1C 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COc1cc(C(=O)Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])cc1F ZINC001458478942 1058065495 /nfs/dbraw/zinc/06/54/95/1058065495.db2.gz IPZQRQVGUIOFEL-UHFFFAOYSA-N 1 2 305.265 2.120 20 5 DEBDLO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1noc(C)n1 ZINC001459934733 1058236544 /nfs/dbraw/zinc/23/65/44/1058236544.db2.gz MNCKADXFWRBKRC-OLZOCXBDSA-N 1 2 306.322 2.061 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1NCCn1c[nH+]cc1-c1ccccc1 ZINC001612671913 1078113108 /nfs/dbraw/zinc/11/31/08/1078113108.db2.gz LELRTKGRJNZBKQ-UHFFFAOYSA-N 1 2 312.333 2.304 20 5 DEBDLO Cc1cn2cc(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)ccc2[nH+]1 ZINC001627313507 1078273910 /nfs/dbraw/zinc/27/39/10/1078273910.db2.gz OJKVRPCLOIYGKE-UHFFFAOYSA-N 1 2 320.696 2.180 20 5 DEBDLO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC001642956244 1078779008 /nfs/dbraw/zinc/77/90/08/1078779008.db2.gz JPRILILJOARZPR-SWLSCSKDSA-N 1 2 324.377 2.292 20 5 DEBDLO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC001642956244 1078779010 /nfs/dbraw/zinc/77/90/10/1078779010.db2.gz JPRILILJOARZPR-SWLSCSKDSA-N 1 2 324.377 2.292 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001518047347 1068992413 /nfs/dbraw/zinc/99/24/13/1068992413.db2.gz FEDBHCPHUOENIJ-UHFFFAOYSA-N 1 2 305.290 2.177 20 5 DEBDLO Cc1[nH]c(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001587805017 1076427560 /nfs/dbraw/zinc/42/75/60/1076427560.db2.gz GKDCPIRVSXIQHQ-VIFPVBQESA-N 1 2 302.334 2.355 20 5 DEBDLO Cc1ccc(NC2CC[NH+]([C@H]3CCOC3=O)CC2)c([N+](=O)[O-])c1 ZINC001650878919 1079777397 /nfs/dbraw/zinc/77/73/97/1079777397.db2.gz WGRGASZURPCLRS-AWEZNQCLSA-N 1 2 319.361 2.095 20 5 DEBDLO CCOc1ccc(NC(=O)Cn2c[nH+]c(CC)c2)c([N+](=O)[O-])c1 ZINC001653083490 1079912237 /nfs/dbraw/zinc/91/22/37/1079912237.db2.gz GJSLLGVCBKIKGF-UHFFFAOYSA-N 1 2 318.333 2.391 20 5 DEBDLO Cc1nnc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C)o1 ZINC001653625603 1079935023 /nfs/dbraw/zinc/93/50/23/1079935023.db2.gz KNXLCWBGEMHKMP-UHFFFAOYSA-N 1 2 322.369 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C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000595467720 358456658 /nfs/dbraw/zinc/45/66/58/358456658.db2.gz USCWPUJBCRKOPI-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179681473 186204456 /nfs/dbraw/zinc/20/44/56/186204456.db2.gz HHJMJFWUGMGTGK-UHFFFAOYSA-N 1 2 313.785 2.452 20 5 DEBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179681473 186204458 /nfs/dbraw/zinc/20/44/58/186204458.db2.gz HHJMJFWUGMGTGK-UHFFFAOYSA-N 1 2 313.785 2.452 20 5 DEBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000268763547 186382964 /nfs/dbraw/zinc/38/29/64/186382964.db2.gz MRCBLZVGZWMYQR-LLVKDONJSA-N 1 2 301.350 2.292 20 5 DEBDLO CCOc1cc(CN2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000595488850 358463079 /nfs/dbraw/zinc/46/30/79/358463079.db2.gz DQNIELKYSJPOLJ-UHFFFAOYSA-N 1 2 302.334 2.206 20 5 DEBDLO Cc1noc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595499042 358465724 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CCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072558206 354906436 /nfs/dbraw/zinc/90/64/36/354906436.db2.gz NRCRFVMGLTWIOX-GFCCVEGCSA-N 1 2 306.366 2.003 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857779 355109182 /nfs/dbraw/zinc/10/91/82/355109182.db2.gz OTTGOSMKEBKQHJ-ZDUSSCGKSA-N 1 2 316.361 2.462 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557342 355092904 /nfs/dbraw/zinc/09/29/04/355092904.db2.gz DATKIBIKJVIEQY-VIFPVBQESA-N 1 2 306.347 2.399 20 5 DEBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276965685 213207333 /nfs/dbraw/zinc/20/73/33/213207333.db2.gz WBRGGXIOLMIDCP-TZMCWYRMSA-N 1 2 324.377 2.229 20 5 DEBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276965685 213207336 /nfs/dbraw/zinc/20/73/36/213207336.db2.gz WBRGGXIOLMIDCP-TZMCWYRMSA-N 1 2 324.377 2.229 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000092966989 355659590 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DEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595307393 358418827 /nfs/dbraw/zinc/41/88/27/358418827.db2.gz URGIYZKZIJASGH-UHFFFAOYSA-N 1 2 323.368 2.424 20 5 DEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317771 358420764 /nfs/dbraw/zinc/42/07/64/358420764.db2.gz RNYQZARZJKWWJF-CQSZACIVSA-N 1 2 321.352 2.321 20 5 DEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317771 358420765 /nfs/dbraw/zinc/42/07/65/358420765.db2.gz RNYQZARZJKWWJF-CQSZACIVSA-N 1 2 321.352 2.321 20 5 DEBDLO Cc1noc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595340771 358426292 /nfs/dbraw/zinc/42/62/92/358426292.db2.gz GZEXIXBCCWUAPN-CQSZACIVSA-N 1 2 317.345 2.373 20 5 DEBDLO Cc1noc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595340771 358426293 /nfs/dbraw/zinc/42/62/93/358426293.db2.gz GZEXIXBCCWUAPN-CQSZACIVSA-N 1 2 317.345 2.373 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595861090 358566729 /nfs/dbraw/zinc/56/67/29/358566729.db2.gz RSOQFTNYUBDJCS-OTYXRUKQSA-N 1 2 300.305 2.323 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595861090 358566731 /nfs/dbraw/zinc/56/67/31/358566731.db2.gz RSOQFTNYUBDJCS-OTYXRUKQSA-N 1 2 300.305 2.323 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cn(C)nn1 ZINC000597208642 358853919 /nfs/dbraw/zinc/85/39/19/358853919.db2.gz CESZRHVLRJCMOH-GHXNOFRVSA-N 1 2 301.350 2.259 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cn(C)nn1 ZINC000597208642 358853924 /nfs/dbraw/zinc/85/39/24/358853924.db2.gz CESZRHVLRJCMOH-GHXNOFRVSA-N 1 2 301.350 2.259 20 5 DEBDLO CCc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598947302 359364308 /nfs/dbraw/zinc/36/43/08/359364308.db2.gz LPHWGFCWDOJVBO-ZDUSSCGKSA-N 1 2 314.345 2.099 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598949059 359364373 /nfs/dbraw/zinc/36/43/73/359364373.db2.gz SRZKMKIIAJDDCN-LLVKDONJSA-N 1 2 320.736 2.190 20 5 DEBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000599700485 359578641 /nfs/dbraw/zinc/57/86/41/359578641.db2.gz HATHYFJCZMJORN-LBPRGKRZSA-N 1 2 309.341 2.225 20 5 DEBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000599700485 359578646 /nfs/dbraw/zinc/57/86/46/359578646.db2.gz HATHYFJCZMJORN-LBPRGKRZSA-N 1 2 309.341 2.225 20 5 DEBDLO COCCN(C)c1ccc(-c2cc([N+](=O)[O-])ccc2CO)c[nH+]1 ZINC000600781634 359827598 /nfs/dbraw/zinc/82/75/98/359827598.db2.gz GATGUAVCIZOJAO-UHFFFAOYSA-N 1 2 317.345 2.232 20 5 DEBDLO C[N@H+](Cc1cc2c(cn1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000602440194 360373677 /nfs/dbraw/zinc/37/36/77/360373677.db2.gz OKXUPOUCZBJQIH-UHFFFAOYSA-N 1 2 315.329 2.393 20 5 DEBDLO C[N@@H+](Cc1cc2c(cn1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000602440194 360373682 /nfs/dbraw/zinc/37/36/82/360373682.db2.gz OKXUPOUCZBJQIH-UHFFFAOYSA-N 1 2 315.329 2.393 20 5 DEBDLO CN(Cc1cc2c(c[nH+]1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000602440194 360373687 /nfs/dbraw/zinc/37/36/87/360373687.db2.gz OKXUPOUCZBJQIH-UHFFFAOYSA-N 1 2 315.329 2.393 20 5 DEBDLO C[C@@]1(O)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602486055 360402763 /nfs/dbraw/zinc/40/27/63/360402763.db2.gz URRHMTLBBMCGKO-SNVBAGLBSA-N 1 2 321.196 2.376 20 5 DEBDLO C[C@@]1(O)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602486055 360402764 /nfs/dbraw/zinc/40/27/64/360402764.db2.gz URRHMTLBBMCGKO-SNVBAGLBSA-N 1 2 321.196 2.376 20 5 DEBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccn(C)n1 ZINC000602688716 360499594 /nfs/dbraw/zinc/49/95/94/360499594.db2.gz YIIAEQOXXIVSRM-VIFPVBQESA-N 1 2 301.306 2.320 20 5 DEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281389314 216267655 /nfs/dbraw/zinc/26/76/55/216267655.db2.gz MUSAOLHGJVXSSV-AWEZNQCLSA-N 1 2 321.377 2.343 20 5 DEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281389314 216267659 /nfs/dbraw/zinc/26/76/59/216267659.db2.gz MUSAOLHGJVXSSV-AWEZNQCLSA-N 1 2 321.377 2.343 20 5 DEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609130898 361280805 /nfs/dbraw/zinc/28/08/05/361280805.db2.gz BEBXFQPNXPSRGY-NSHDSACASA-N 1 2 306.347 2.330 20 5 DEBDLO Cc1cc(NCc2cocn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609350939 361306231 /nfs/dbraw/zinc/30/62/31/361306231.db2.gz XSEIOLJGYSGRQF-UHFFFAOYSA-N 1 2 311.301 2.382 20 5 DEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610585160 361428072 /nfs/dbraw/zinc/42/80/72/361428072.db2.gz CQGCZPSPMJFACB-MFKMUULPSA-N 1 2 305.334 2.026 20 5 DEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610585160 361428074 /nfs/dbraw/zinc/42/80/74/361428074.db2.gz CQGCZPSPMJFACB-MFKMUULPSA-N 1 2 305.334 2.026 20 5 DEBDLO COC[C@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816622 239121259 /nfs/dbraw/zinc/12/12/59/239121259.db2.gz KDHSHTQFWYFTCM-CYBMUJFWSA-N 1 2 323.393 2.121 20 5 DEBDLO Cc1ccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1[N+](=O)[O-] ZINC000093707704 193297024 /nfs/dbraw/zinc/29/70/24/193297024.db2.gz RDDCCRVNTPCMJC-UHFFFAOYSA-N 1 2 314.407 2.158 20 5 DEBDLO Cc1ccc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc1[N+](=O)[O-] ZINC000093707704 193297026 /nfs/dbraw/zinc/29/70/26/193297026.db2.gz RDDCCRVNTPCMJC-UHFFFAOYSA-N 1 2 314.407 2.158 20 5 DEBDLO Cc1nn(C)c(NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000264569546 204002630 /nfs/dbraw/zinc/00/26/30/204002630.db2.gz UBDFBQUQWQVCNX-UHFFFAOYSA-N 1 2 300.322 2.205 20 5 DEBDLO Cc1cc(N(C)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000282806118 217262670 /nfs/dbraw/zinc/26/26/70/217262670.db2.gz IWINDBODYHDQSL-NSHDSACASA-N 1 2 302.334 2.177 20 5 DEBDLO O=[N+]([O-])c1nn(Cc2[nH+]ccn2C(F)F)cc1Br ZINC000040517386 183089467 /nfs/dbraw/zinc/08/94/67/183089467.db2.gz DXYFWSLGCWANTG-UHFFFAOYSA-N 1 2 322.069 2.194 20 5 DEBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000492807272 249144643 /nfs/dbraw/zinc/14/46/43/249144643.db2.gz BAFQAUOUFJDLJF-TWGQIWQCSA-N 1 2 314.345 2.470 20 5 DEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+]1CCC(C)CC1 ZINC000067593519 184474150 /nfs/dbraw/zinc/47/41/50/184474150.db2.gz NRJMUWJXXINVPL-GFCCVEGCSA-N 1 2 321.377 2.151 20 5 DEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCCn1cc[nH+]c1 ZINC000537604658 285005349 /nfs/dbraw/zinc/00/53/49/285005349.db2.gz CHNBJOPUOIEJGZ-UHFFFAOYSA-N 1 2 317.349 2.043 20 5 DEBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(O)CC1 ZINC000162449395 285082554 /nfs/dbraw/zinc/08/25/54/285082554.db2.gz HYNMSKPXGSBCHI-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO CCO[C@@H]1C[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000559815664 291918231 /nfs/dbraw/zinc/91/82/31/291918231.db2.gz OSHGHEPRBZQDGH-ZIAGYGMSSA-N 1 2 314.345 2.371 20 5 DEBDLO CCO[C@H]1C[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000559815662 291918361 /nfs/dbraw/zinc/91/83/61/291918361.db2.gz OSHGHEPRBZQDGH-KGLIPLIRSA-N 1 2 314.345 2.371 20 5 DEBDLO COc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000289518575 221035227 /nfs/dbraw/zinc/03/52/27/221035227.db2.gz BBIXBZCQIZDEIE-UHFFFAOYSA-N 1 2 305.338 2.066 20 5 DEBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340245495 131259065 /nfs/dbraw/zinc/25/90/65/131259065.db2.gz CXIMGWSYKAXZJN-HNNXBMFYSA-N 1 2 324.344 2.030 20 5 DEBDLO CC(=O)N1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000353847838 133006670 /nfs/dbraw/zinc/00/66/70/133006670.db2.gz ULWLPAQDCXGMOF-SCXUMTSISA-N 1 2 303.362 2.161 20 5 DEBDLO CC(=O)N1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000353847838 133006671 /nfs/dbraw/zinc/00/66/71/133006671.db2.gz ULWLPAQDCXGMOF-SCXUMTSISA-N 1 2 303.362 2.161 20 5 DEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c[nH+]cn1C ZINC000353927452 133011980 /nfs/dbraw/zinc/01/19/80/133011980.db2.gz FAMXKGXFMOOVBV-UHFFFAOYSA-N 1 2 303.322 2.212 20 5 DEBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000376655189 133303539 /nfs/dbraw/zinc/30/35/39/133303539.db2.gz FLUJWKGJMSFCBW-YWUSPZPSSA-N 1 2 308.403 2.451 20 5 DEBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000376655189 133303540 /nfs/dbraw/zinc/30/35/40/133303540.db2.gz FLUJWKGJMSFCBW-YWUSPZPSSA-N 1 2 308.403 2.451 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000565197346 292144942 /nfs/dbraw/zinc/14/49/42/292144942.db2.gz OOMYTKIKHAVZSG-GFCCVEGCSA-N 1 2 316.361 2.198 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000565197346 292144943 /nfs/dbraw/zinc/14/49/43/292144943.db2.gz OOMYTKIKHAVZSG-GFCCVEGCSA-N 1 2 316.361 2.198 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000348320671 146254624 /nfs/dbraw/zinc/25/46/24/146254624.db2.gz BJWFAGBYIPQHQJ-UHFFFAOYSA-N 1 2 301.302 2.237 20 5 DEBDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606526 401934098 /nfs/dbraw/zinc/93/40/98/401934098.db2.gz SFELJLZIUUPAMH-LBPRGKRZSA-N 1 2 317.389 2.400 20 5 DEBDLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606526 401934099 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/nfs/dbraw/zinc/28/25/50/215282550.db2.gz DNNLLRVOLNGNKT-UHFFFAOYSA-N 1 2 300.322 2.379 20 5 DEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccco2)CC1 ZINC000279980348 215287245 /nfs/dbraw/zinc/28/72/45/215287245.db2.gz FKZUMNGQBLHEBP-UHFFFAOYSA-N 1 2 319.365 2.035 20 5 DEBDLO CC[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861742 191242694 /nfs/dbraw/zinc/24/26/94/191242694.db2.gz FFUMIPVUTZCINC-AWEZNQCLSA-N 1 2 323.418 2.385 20 5 DEBDLO CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861742 191242697 /nfs/dbraw/zinc/24/26/97/191242697.db2.gz FFUMIPVUTZCINC-AWEZNQCLSA-N 1 2 323.418 2.385 20 5 DEBDLO Cn1ccnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242464 198310368 /nfs/dbraw/zinc/31/03/68/198310368.db2.gz YOTBONDCIVPXJS-UHFFFAOYSA-N 1 2 316.361 2.372 20 5 DEBDLO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182099556 199386826 /nfs/dbraw/zinc/38/68/26/199386826.db2.gz OARYVKRUBHYBDB-LBPRGKRZSA-N 1 2 321.377 2.008 20 5 DEBDLO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182099556 199386828 /nfs/dbraw/zinc/38/68/28/199386828.db2.gz OARYVKRUBHYBDB-LBPRGKRZSA-N 1 2 321.377 2.008 20 5 DEBDLO O=[N+]([O-])c1c(NCCNc2cccc[nH+]2)nc2sccn21 ZINC000008376268 354012806 /nfs/dbraw/zinc/01/28/06/354012806.db2.gz HSLUOTHFOKHKRD-UHFFFAOYSA-N 1 2 304.335 2.223 20 5 DEBDLO Cc1[nH+]c2ccccc2n1CCCNc1c([N+](=O)[O-])ncn1C ZINC000052713107 354411148 /nfs/dbraw/zinc/41/11/48/354411148.db2.gz LTAULCHEONHOQD-UHFFFAOYSA-N 1 2 314.349 2.489 20 5 DEBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000618282012 363446860 /nfs/dbraw/zinc/44/68/60/363446860.db2.gz RISUPLKAZHZXMX-UHFFFAOYSA-N 1 2 304.350 2.472 20 5 DEBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000618282012 363446862 /nfs/dbraw/zinc/44/68/62/363446862.db2.gz RISUPLKAZHZXMX-UHFFFAOYSA-N 1 2 304.350 2.472 20 5 DEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857449 355108927 /nfs/dbraw/zinc/10/89/27/355108927.db2.gz FTIHCVUNLACYGP-ZDUSSCGKSA-N 1 2 316.361 2.462 20 5 DEBDLO Nc1nc(Nc2ccc(N3CCCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000076267681 355137080 /nfs/dbraw/zinc/13/70/80/355137080.db2.gz DWOZSQSEUGBOJL-UHFFFAOYSA-N 1 2 315.337 2.096 20 5 DEBDLO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000076921775 355173338 /nfs/dbraw/zinc/17/33/38/355173338.db2.gz QQQSUPPILPGHHK-SECBINFHSA-N 1 2 306.351 2.249 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080016360 355342518 /nfs/dbraw/zinc/34/25/18/355342518.db2.gz SLXKERLDVYLHGL-VXGBXAGGSA-N 1 2 317.349 2.240 20 5 DEBDLO CC(C)N1CCC[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088606491 355517177 /nfs/dbraw/zinc/51/71/77/355517177.db2.gz FEPRLVHDJJVPCM-MRXNPFEDSA-N 1 2 317.389 2.352 20 5 DEBDLO CC(C)N1CCC[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088606491 355517180 /nfs/dbraw/zinc/51/71/80/355517180.db2.gz FEPRLVHDJJVPCM-MRXNPFEDSA-N 1 2 317.389 2.352 20 5 DEBDLO CCc1nn(C)c(NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000092829845 355653130 /nfs/dbraw/zinc/65/31/30/355653130.db2.gz IHQBIJJBDDBDRZ-UHFFFAOYSA-N 1 2 314.349 2.459 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000165860589 355975602 /nfs/dbraw/zinc/97/56/02/355975602.db2.gz KUWOJBRIQDCUMG-CYBMUJFWSA-N 1 2 321.377 2.343 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000165860589 355975606 /nfs/dbraw/zinc/97/56/06/355975606.db2.gz KUWOJBRIQDCUMG-CYBMUJFWSA-N 1 2 321.377 2.343 20 5 DEBDLO COC(=O)[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000285164716 356370089 /nfs/dbraw/zinc/37/00/89/356370089.db2.gz CDCPGKRQURRHSU-PSASIEDQSA-N 1 2 314.288 2.114 20 5 DEBDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000285164716 356370096 /nfs/dbraw/zinc/37/00/96/356370096.db2.gz CDCPGKRQURRHSU-PSASIEDQSA-N 1 2 314.288 2.114 20 5 DEBDLO CCc1[nH]nc(-c2nc(Cc3ccc[nH+]c3C)no2)c1[N+](=O)[O-] ZINC000351232242 356636633 /nfs/dbraw/zinc/63/66/33/356636633.db2.gz KRHGGTZSKSYLTF-UHFFFAOYSA-N 1 2 314.305 2.225 20 5 DEBDLO CC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000579545396 356989848 /nfs/dbraw/zinc/98/98/48/356989848.db2.gz SDUNPJYMZWKTBP-UHFFFAOYSA-N 1 2 309.391 2.214 20 5 DEBDLO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1OC ZINC000276826619 213118384 /nfs/dbraw/zinc/11/83/84/213118384.db2.gz GCQKINPSLFDZRI-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1OC ZINC000276826619 213118389 /nfs/dbraw/zinc/11/83/89/213118389.db2.gz GCQKINPSLFDZRI-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2[nH]c[nH+]c2C1 ZINC000590552977 357555865 /nfs/dbraw/zinc/55/58/65/357555865.db2.gz RAUXXDSPDLCWMQ-UHFFFAOYSA-N 1 2 320.736 2.099 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2[nH+]c[nH]c2C1 ZINC000590552977 357555869 /nfs/dbraw/zinc/55/58/69/357555869.db2.gz RAUXXDSPDLCWMQ-UHFFFAOYSA-N 1 2 320.736 2.099 20 5 DEBDLO COCc1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000180267012 199138711 /nfs/dbraw/zinc/13/87/11/199138711.db2.gz ORIDWZOKJWLXAM-SNVBAGLBSA-N 1 2 306.322 2.283 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000595042762 358382220 /nfs/dbraw/zinc/38/22/20/358382220.db2.gz VKUBLWPVOHCVFW-ZJUUUORDSA-N 1 2 305.338 2.144 20 5 DEBDLO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000596171312 358629598 /nfs/dbraw/zinc/62/95/98/358629598.db2.gz DJEFYJTZBBXTJV-JTQLQIEISA-N 1 2 319.752 2.151 20 5 DEBDLO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 ZINC000596593091 358720908 /nfs/dbraw/zinc/72/09/08/358720908.db2.gz OXYHFLIHNXSREO-AWEZNQCLSA-N 1 2 301.350 2.269 20 5 DEBDLO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 ZINC000596593091 358720913 /nfs/dbraw/zinc/72/09/13/358720913.db2.gz OXYHFLIHNXSREO-AWEZNQCLSA-N 1 2 301.350 2.269 20 5 DEBDLO COC(=O)c1ccnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000598633092 359268420 /nfs/dbraw/zinc/26/84/20/359268420.db2.gz KPZPCZHXFLRRKX-WCBMZHEXSA-N 1 2 317.305 2.091 20 5 DEBDLO COc1ccc[nH+]c1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599059786 359392601 /nfs/dbraw/zinc/39/26/01/359392601.db2.gz RDJMYMRCNFCPPZ-LLVKDONJSA-N 1 2 315.333 2.084 20 5 DEBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601035787 359901248 /nfs/dbraw/zinc/90/12/48/359901248.db2.gz KBJGOOQXNNWYCO-NSHDSACASA-N 1 2 318.308 2.408 20 5 DEBDLO CC[NH+]1CCC(N2N=C(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 ZINC000601941486 360200961 /nfs/dbraw/zinc/20/09/61/360200961.db2.gz XWMVTBJVTQWUAD-UHFFFAOYSA-N 1 2 316.361 2.016 20 5 DEBDLO CC[NH+]1CCC(n2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)CC1 ZINC000601941486 360200966 /nfs/dbraw/zinc/20/09/66/360200966.db2.gz XWMVTBJVTQWUAD-UHFFFAOYSA-N 1 2 316.361 2.016 20 5 DEBDLO C[C@]1(O)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602486053 360401888 /nfs/dbraw/zinc/40/18/88/360401888.db2.gz URRHMTLBBMCGKO-JTQLQIEISA-N 1 2 321.196 2.376 20 5 DEBDLO C[C@]1(O)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602486053 360401894 /nfs/dbraw/zinc/40/18/94/360401894.db2.gz URRHMTLBBMCGKO-JTQLQIEISA-N 1 2 321.196 2.376 20 5 DEBDLO C[C@H](CO)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665090 360483721 /nfs/dbraw/zinc/48/37/21/360483721.db2.gz ZDBVKBIFBUVIOD-ZCFIWIBFSA-N 1 2 309.185 2.231 20 5 DEBDLO C[C@H](CO)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665090 360483724 /nfs/dbraw/zinc/48/37/24/360483724.db2.gz ZDBVKBIFBUVIOD-ZCFIWIBFSA-N 1 2 309.185 2.231 20 5 DEBDLO CCC[N@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602669580 360486840 /nfs/dbraw/zinc/48/68/40/360486840.db2.gz KEFBHYICSTWMKK-UHFFFAOYSA-N 1 2 319.283 2.311 20 5 DEBDLO CCC[N@@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602669580 360486846 /nfs/dbraw/zinc/48/68/46/360486846.db2.gz KEFBHYICSTWMKK-UHFFFAOYSA-N 1 2 319.283 2.311 20 5 DEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CC[NH+](C2CC2)CC1 ZINC000194809719 201292666 /nfs/dbraw/zinc/29/26/66/201292666.db2.gz QSTSVTJDBGAZHV-UHFFFAOYSA-N 1 2 305.334 2.113 20 5 DEBDLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271781308 209209710 /nfs/dbraw/zinc/20/97/10/209209710.db2.gz GVFIOCMBYUHGBZ-SCRDCRAPSA-N 1 2 306.362 2.457 20 5 DEBDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000452185464 244032023 /nfs/dbraw/zinc/03/20/23/244032023.db2.gz OARUVTAWSAVJNR-NSHDSACASA-N 1 2 302.334 2.138 20 5 DEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)C(F)(F)F ZINC000275070545 212104647 /nfs/dbraw/zinc/10/46/47/212104647.db2.gz VVZMZYJVJNYOKZ-NSHDSACASA-N 1 2 310.247 2.479 20 5 DEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)C(F)(F)F ZINC000275070545 212104649 /nfs/dbraw/zinc/10/46/49/212104649.db2.gz VVZMZYJVJNYOKZ-NSHDSACASA-N 1 2 310.247 2.479 20 5 DEBDLO CCn1cc[nH+]c1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000452573717 244397135 /nfs/dbraw/zinc/39/71/35/244397135.db2.gz XEABYVWXJJRLRX-UHFFFAOYSA-N 1 2 320.374 2.463 20 5 DEBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CCO2 ZINC000282470342 217020436 /nfs/dbraw/zinc/02/04/36/217020436.db2.gz KROAXNLNKGCHIS-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CCO2 ZINC000282470342 217020437 /nfs/dbraw/zinc/02/04/37/217020437.db2.gz KROAXNLNKGCHIS-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000266092947 205091263 /nfs/dbraw/zinc/09/12/63/205091263.db2.gz IRBWYLQCGFTFIK-LLVKDONJSA-N 1 2 301.350 2.373 20 5 DEBDLO CCc1nn(C)c(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000288316967 220080362 /nfs/dbraw/zinc/08/03/62/220080362.db2.gz CWLWDOABLRNIJB-UHFFFAOYSA-N 1 2 300.322 2.151 20 5 DEBDLO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456433634 247190773 /nfs/dbraw/zinc/19/07/73/247190773.db2.gz UIPIMVIWRPXPNH-MFKMUULPSA-N 1 2 300.318 2.156 20 5 DEBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000059829104 184141524 /nfs/dbraw/zinc/14/15/24/184141524.db2.gz PNDCXBGTNCFIGP-UHFFFAOYSA-N 1 2 317.267 2.001 20 5 DEBDLO Cc1cc(N(CCO)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270115532 208177548 /nfs/dbraw/zinc/17/75/48/208177548.db2.gz FMAJJOGKCGXPDS-UHFFFAOYSA-N 1 2 314.345 2.321 20 5 DEBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000542197128 285212157 /nfs/dbraw/zinc/21/21/57/285212157.db2.gz QLOCLDTXRRDNAE-UHFFFAOYSA-N 1 2 323.312 2.310 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120355806 195149337 /nfs/dbraw/zinc/14/93/37/195149337.db2.gz ZBWAGEBDXKRZCS-UHFFFAOYSA-N 1 2 314.345 2.198 20 5 DEBDLO O=C(NCC[NH+]1CCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683562998 542472100 /nfs/dbraw/zinc/47/21/00/542472100.db2.gz RMNVSFPUTACHGH-UHFFFAOYSA-N 1 2 321.380 2.117 20 5 DEBDLO CCc1nnc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])s1 ZINC000289715106 221173597 /nfs/dbraw/zinc/17/35/97/221173597.db2.gz FRRBTHJMLMEAGZ-UHFFFAOYSA-N 1 2 324.362 2.013 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121969725 195383434 /nfs/dbraw/zinc/38/34/34/195383434.db2.gz UBEJQWDHSLJEJW-LBPRGKRZSA-N 1 2 311.769 2.301 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121969725 195383436 /nfs/dbraw/zinc/38/34/36/195383436.db2.gz UBEJQWDHSLJEJW-LBPRGKRZSA-N 1 2 311.769 2.301 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000492188360 533383016 /nfs/dbraw/zinc/38/30/16/533383016.db2.gz NBXXFVAEDKQVOG-XCHKQJEOSA-N 1 2 317.345 2.135 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000492188360 533383018 /nfs/dbraw/zinc/38/30/18/533383018.db2.gz NBXXFVAEDKQVOG-XCHKQJEOSA-N 1 2 317.345 2.135 20 5 DEBDLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000297354189 533642830 /nfs/dbraw/zinc/64/28/30/533642830.db2.gz JRUIFJCNAQJJBS-LBPRGKRZSA-N 1 2 317.349 2.242 20 5 DEBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000343352646 132671067 /nfs/dbraw/zinc/67/10/67/132671067.db2.gz IKEFYFHLQMRKFT-UHFFFAOYSA-N 1 2 323.312 2.487 20 5 DEBDLO Cc1c(CNC(=O)Cc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000360524826 133187338 /nfs/dbraw/zinc/18/73/38/133187338.db2.gz KWNLHAZSUNMHRR-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377696688 133341865 /nfs/dbraw/zinc/34/18/65/133341865.db2.gz LEFJFLNUTCSUJE-JKSUJKDBSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377696688 133341866 /nfs/dbraw/zinc/34/18/66/133341866.db2.gz LEFJFLNUTCSUJE-JKSUJKDBSA-N 1 2 306.362 2.283 20 5 DEBDLO O=C(CN1CCC[C@H]1c1[nH]cc[nH+]1)Nc1ccccc1[N+](=O)[O-] ZINC000375001628 148314265 /nfs/dbraw/zinc/31/42/65/148314265.db2.gz CNKRHDKKTGJBTJ-ZDUSSCGKSA-N 1 2 315.333 2.094 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000112496667 401747721 /nfs/dbraw/zinc/74/77/21/401747721.db2.gz MKLIDZZFSAZDSV-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000017285612 401820091 /nfs/dbraw/zinc/82/00/91/401820091.db2.gz XQHOPZHWHRMBFY-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO O=C(NCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000115160471 401820647 /nfs/dbraw/zinc/82/06/47/401820647.db2.gz AQVPGOLQMSKKNC-UHFFFAOYSA-N 1 2 300.318 2.222 20 5 DEBDLO CCS(=O)(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000118394343 401897421 /nfs/dbraw/zinc/89/74/21/401897421.db2.gz PNXMOCYIFKRCPR-UHFFFAOYSA-N 1 2 314.407 2.240 20 5 DEBDLO CCS(=O)(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000118394343 401897424 /nfs/dbraw/zinc/89/74/24/401897424.db2.gz PNXMOCYIFKRCPR-UHFFFAOYSA-N 1 2 314.407 2.240 20 5 DEBDLO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065674441 402126885 /nfs/dbraw/zinc/12/68/85/402126885.db2.gz SFIBRLTYWMQKPO-NWDGAFQWSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065674441 402126887 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C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274459957 403057666 /nfs/dbraw/zinc/05/76/66/403057666.db2.gz MGIBNQPWYPCBFG-UGZDLDLSSA-N 1 2 304.799 2.447 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282109842 403123584 /nfs/dbraw/zinc/12/35/84/403123584.db2.gz JASSXNMLTVSWBX-YPMHNXCESA-N 1 2 312.391 2.083 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282109842 403123587 /nfs/dbraw/zinc/12/35/87/403123587.db2.gz JASSXNMLTVSWBX-YPMHNXCESA-N 1 2 312.391 2.083 20 5 DEBDLO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277375753 403211285 /nfs/dbraw/zinc/21/12/85/403211285.db2.gz FYYASIXPVLVWEQ-DDSAOKHOSA-N 1 2 308.403 2.308 20 5 DEBDLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277375753 403211287 /nfs/dbraw/zinc/21/12/87/403211287.db2.gz FYYASIXPVLVWEQ-DDSAOKHOSA-N 1 2 308.403 2.308 20 5 DEBDLO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339042832 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CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000332209513 403515537 /nfs/dbraw/zinc/51/55/37/403515537.db2.gz IKMPAVSGYDMCSX-KBMXLJTQSA-N 1 2 322.361 2.069 20 5 DEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000332209513 403515542 /nfs/dbraw/zinc/51/55/42/403515542.db2.gz IKMPAVSGYDMCSX-KBMXLJTQSA-N 1 2 322.361 2.069 20 5 DEBDLO C[C@@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000332718988 403606023 /nfs/dbraw/zinc/60/60/23/403606023.db2.gz NNYLGPGGAAFBOS-GFCCVEGCSA-N 1 2 304.268 2.266 20 5 DEBDLO C[C@@](O)(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000332718988 403606029 /nfs/dbraw/zinc/60/60/29/403606029.db2.gz NNYLGPGGAAFBOS-GFCCVEGCSA-N 1 2 304.268 2.266 20 5 DEBDLO Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000340817231 403663320 /nfs/dbraw/zinc/66/33/20/403663320.db2.gz JNXBANZIHAHUQX-UHFFFAOYSA-N 1 2 319.342 2.050 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000347351276 403675625 /nfs/dbraw/zinc/67/56/25/403675625.db2.gz DOLJESHRHZRDHA-IEEQTSDESA-N 1 2 308.403 2.451 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000347351276 403675628 /nfs/dbraw/zinc/67/56/28/403675628.db2.gz DOLJESHRHZRDHA-IEEQTSDESA-N 1 2 308.403 2.451 20 5 DEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1CF ZINC000294109892 403650520 /nfs/dbraw/zinc/65/05/20/403650520.db2.gz OYXMCLSELVALQP-LBPRGKRZSA-N 1 2 318.308 2.355 20 5 DEBDLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000347527131 403742632 /nfs/dbraw/zinc/74/26/32/403742632.db2.gz JPDUQMXOHPDYFO-SNVBAGLBSA-N 1 2 320.324 2.230 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)cc1 ZINC000341185088 403812383 /nfs/dbraw/zinc/81/23/83/403812383.db2.gz IZKGGOWNSFHHIH-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000288940641 403796738 /nfs/dbraw/zinc/79/67/38/403796738.db2.gz RMWCRESXAJDGER-LBPRGKRZSA-N 1 2 316.365 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321.406 2.468 20 5 DEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792271344 644099376 /nfs/dbraw/zinc/09/93/76/644099376.db2.gz PQHOOPKYLIAOAT-UHFFFAOYSA-N 1 2 317.301 2.328 20 5 DEBDLO CC(C)(NC(=O)CNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000908360701 644834521 /nfs/dbraw/zinc/83/45/21/644834521.db2.gz TWOUPWBZRMESEC-UHFFFAOYSA-N 1 2 314.345 2.453 20 5 DEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(Cl)cn3)CC2)n1 ZINC000799167787 645137474 /nfs/dbraw/zinc/13/74/74/645137474.db2.gz FQUMPNJVVZQTAA-UHFFFAOYSA-N 1 2 322.756 2.072 20 5 DEBDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000817363499 647276250 /nfs/dbraw/zinc/27/62/50/647276250.db2.gz DWJFFAMKYQQENJ-VXGBXAGGSA-N 1 2 324.381 2.191 20 5 DEBDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000817363499 647276253 /nfs/dbraw/zinc/27/62/53/647276253.db2.gz DWJFFAMKYQQENJ-VXGBXAGGSA-N 1 2 324.381 2.191 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000788045773 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COc1cc([N+](=O)[O-])ccc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284171 651228081 /nfs/dbraw/zinc/22/80/81/651228081.db2.gz LVKPMJUSQNUHJG-NSHDSACASA-N 1 2 319.317 2.494 20 5 DEBDLO CC(C)(COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000851127695 652074711 /nfs/dbraw/zinc/07/47/11/652074711.db2.gz SOXVMXLYFPBGAH-CQSZACIVSA-N 1 2 306.362 2.250 20 5 DEBDLO CC(C)(COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000851127695 652074714 /nfs/dbraw/zinc/07/47/14/652074714.db2.gz SOXVMXLYFPBGAH-CQSZACIVSA-N 1 2 306.362 2.250 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976315 652225571 /nfs/dbraw/zinc/22/55/71/652225571.db2.gz BAFUWOPPETYXPN-GFCCVEGCSA-N 1 2 300.318 2.283 20 5 DEBDLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1F ZINC000857981829 652229641 /nfs/dbraw/zinc/22/96/41/652229641.db2.gz JNRWIKBSYHLYTQ-TVQRCGJNSA-N 1 2 318.308 2.295 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853798217 652604886 /nfs/dbraw/zinc/60/48/86/652604886.db2.gz CKPVPVGGAAVBTI-WDEREUQCSA-N 1 2 324.337 2.024 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853798217 652604888 /nfs/dbraw/zinc/60/48/88/652604888.db2.gz CKPVPVGGAAVBTI-WDEREUQCSA-N 1 2 324.337 2.024 20 5 DEBDLO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072224 688922264 /nfs/dbraw/zinc/92/22/64/688922264.db2.gz BZCZFVRJIGQSKB-JTQLQIEISA-N 1 2 318.370 2.208 20 5 DEBDLO CN1CCCC[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1=O ZINC000872262782 688966933 /nfs/dbraw/zinc/96/69/33/688966933.db2.gz BUQAWPSPFJBIRI-AWEZNQCLSA-N 1 2 309.341 2.177 20 5 DEBDLO CN1CCCC[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1=O ZINC000872262782 688966937 /nfs/dbraw/zinc/96/69/37/688966937.db2.gz BUQAWPSPFJBIRI-AWEZNQCLSA-N 1 2 309.341 2.177 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCC2(CCC2)C1=O ZINC000872610799 689046635 /nfs/dbraw/zinc/04/66/35/689046635.db2.gz UJLSJLRQPPSKAZ-UHFFFAOYSA-N 1 2 317.389 2.429 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCC2(CCC2)C1=O ZINC000872610799 689046637 /nfs/dbraw/zinc/04/66/37/689046637.db2.gz UJLSJLRQPPSKAZ-UHFFFAOYSA-N 1 2 317.389 2.429 20 5 DEBDLO CC[C@@H]1COCC[N@@H+]1CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000872771670 689088493 /nfs/dbraw/zinc/08/84/93/689088493.db2.gz KGHUPPMZGMQPBZ-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO CC[C@@H]1COCC[N@H+]1CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000872771670 689088497 /nfs/dbraw/zinc/08/84/97/689088497.db2.gz KGHUPPMZGMQPBZ-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000872802310 689096944 /nfs/dbraw/zinc/09/69/44/689096944.db2.gz NUZFFEFBVXUWMR-AWEZNQCLSA-N 1 2 320.324 2.350 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000872802310 689096946 /nfs/dbraw/zinc/09/69/46/689096946.db2.gz NUZFFEFBVXUWMR-AWEZNQCLSA-N 1 2 320.324 2.350 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000874238223 689373810 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CCc1[nH]cc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH+]1 ZINC001645212050 1078885553 /nfs/dbraw/zinc/88/55/53/1078885553.db2.gz BHMJEVBJJFXVGF-UHFFFAOYSA-N 1 2 313.317 2.292 20 5 DEBDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001558602817 1075101013 /nfs/dbraw/zinc/10/10/13/1075101013.db2.gz CQBSKOOICZYUCS-LLVKDONJSA-N 1 2 302.334 2.170 20 5 DEBDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC001558602817 1075101015 /nfs/dbraw/zinc/10/10/15/1075101015.db2.gz CQBSKOOICZYUCS-LLVKDONJSA-N 1 2 302.334 2.170 20 5 DEBDLO Cc1c[nH+]c(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)[nH]1 ZINC001559135769 1075113463 /nfs/dbraw/zinc/11/34/63/1075113463.db2.gz WNAHJCRRTRGSEK-UHFFFAOYSA-N 1 2 301.306 2.262 20 5 DEBDLO O=[N+]([O-])c1c(Nc2ccc3[nH+]ccn3c2)cccc1-c1nn[nH]n1 ZINC001593468718 1077005524 /nfs/dbraw/zinc/00/55/24/1077005524.db2.gz JJUVWKLDYGWGMP-UHFFFAOYSA-N 1 2 322.288 2.166 20 5 DEBDLO Nc1[nH+]cccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC001651860951 1079837502 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5 DEBDLO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC001325384339 1147898215 /nfs/dbraw/zinc/89/82/15/1147898215.db2.gz DBMZNKTZAFWATH-CYBMUJFWSA-N 1 2 318.333 2.265 20 5 DEBDLO CCn1cc[nH+]c1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000294985801 529581853 /nfs/dbraw/zinc/58/18/53/529581853.db2.gz MNZPOZXZVFOMDM-UHFFFAOYSA-N 1 2 304.335 2.428 20 5 DEBDLO CC(=O)c1cc(NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000286650146 219103627 /nfs/dbraw/zinc/10/36/27/219103627.db2.gz CHEVKNQYSOEGIE-LBPRGKRZSA-N 1 2 321.377 2.178 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149151870 186047828 /nfs/dbraw/zinc/04/78/28/186047828.db2.gz LANATCHYULFXAV-VIFPVBQESA-N 1 2 308.725 2.263 20 5 DEBDLO Cc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536251 358477070 /nfs/dbraw/zinc/47/70/70/358477070.db2.gz WZWSNBQZZKHPQB-STQMWFEESA-N 1 2 303.318 2.199 20 5 DEBDLO Cc1noc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536251 358477075 /nfs/dbraw/zinc/47/70/75/358477075.db2.gz WZWSNBQZZKHPQB-STQMWFEESA-N 1 2 303.318 2.199 20 5 DEBDLO Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536248 358477446 /nfs/dbraw/zinc/47/74/46/358477446.db2.gz WZWSNBQZZKHPQB-CHWSQXEVSA-N 1 2 303.318 2.199 20 5 DEBDLO Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595536248 358477449 /nfs/dbraw/zinc/47/74/49/358477449.db2.gz WZWSNBQZZKHPQB-CHWSQXEVSA-N 1 2 303.318 2.199 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000352466563 146544978 /nfs/dbraw/zinc/54/49/78/146544978.db2.gz DGIHHJFKUFWUHD-AWEZNQCLSA-N 1 2 319.365 2.219 20 5 DEBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1[N+](=O)[O-] ZINC000033043579 354156369 /nfs/dbraw/zinc/15/63/69/354156369.db2.gz DDZDGTMWSGYIKK-UHFFFAOYSA-N 1 2 323.312 2.106 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)on1 ZINC000042097078 354188070 /nfs/dbraw/zinc/18/80/70/354188070.db2.gz KQBWYZOPXVRDDY-UHFFFAOYSA-N 1 2 320.324 2.353 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000075590742 355095203 /nfs/dbraw/zinc/09/52/03/355095203.db2.gz WKTUHMSSIKGWDY-LBPRGKRZSA-N 1 2 303.362 2.210 20 5 DEBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000076921794 355173776 /nfs/dbraw/zinc/17/37/76/355173776.db2.gz RSYBAXUUYBUDNK-SNVBAGLBSA-N 1 2 305.294 2.448 20 5 DEBDLO Cc1cnc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000078628086 355271034 /nfs/dbraw/zinc/27/10/34/355271034.db2.gz LAYPARIWCSQKOT-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO Cc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000150229451 355921795 /nfs/dbraw/zinc/92/17/95/355921795.db2.gz AYZGKLYUPNOTMV-UHFFFAOYSA-N 1 2 314.345 2.294 20 5 DEBDLO COCCc1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181818830 356097219 /nfs/dbraw/zinc/09/72/19/356097219.db2.gz WQBKSECCAZMBTF-LLVKDONJSA-N 1 2 320.349 2.326 20 5 DEBDLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000255715981 356338022 /nfs/dbraw/zinc/33/80/22/356338022.db2.gz ZDOFIPPWNDRHSW-OLZOCXBDSA-N 1 2 321.377 2.423 20 5 DEBDLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000255715981 356338029 /nfs/dbraw/zinc/33/80/29/356338029.db2.gz ZDOFIPPWNDRHSW-OLZOCXBDSA-N 1 2 321.377 2.423 20 5 DEBDLO CNc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000321534113 356450491 /nfs/dbraw/zinc/45/04/91/356450491.db2.gz ZDGZJJUMKOHHAO-UHFFFAOYSA-N 1 2 317.349 2.043 20 5 DEBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000579764138 357027146 /nfs/dbraw/zinc/02/71/46/357027146.db2.gz CFRILXILNWDXJS-OZQCQIJRSA-N 1 2 306.362 2.080 20 5 DEBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000579764138 357027148 /nfs/dbraw/zinc/02/71/48/357027148.db2.gz CFRILXILNWDXJS-OZQCQIJRSA-N 1 2 306.362 2.080 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3nnnn3C3CC3)c2c1 ZINC000591148857 357680412 /nfs/dbraw/zinc/68/04/12/357680412.db2.gz GYBFFRKDETTYKA-UHFFFAOYSA-N 1 2 311.305 2.077 20 5 DEBDLO C[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000593168991 358025709 /nfs/dbraw/zinc/02/57/09/358025709.db2.gz FPWDIXRQRPNJCG-CABZTGNLSA-N 1 2 318.308 2.295 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000595291133 358413864 /nfs/dbraw/zinc/41/38/64/358413864.db2.gz NKUGAEGJGPGVNF-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595684516 358521654 /nfs/dbraw/zinc/52/16/54/358521654.db2.gz NYUJJFLFMAEHQU-CYBMUJFWSA-N 1 2 321.333 2.377 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000596434489 358686695 /nfs/dbraw/zinc/68/66/95/358686695.db2.gz YQNZCVHNFKDTBG-RYUDHWBXSA-N 1 2 309.366 2.125 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000596434489 358686699 /nfs/dbraw/zinc/68/66/99/358686699.db2.gz YQNZCVHNFKDTBG-RYUDHWBXSA-N 1 2 309.366 2.125 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596891865 358783333 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Nc1[nH+]cnc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC000302917417 283699903 /nfs/dbraw/zinc/69/99/03/283699903.db2.gz WXUCYDXTYGOJMW-UHFFFAOYSA-N 1 2 305.725 2.183 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCCO1 ZINC000450668943 242083375 /nfs/dbraw/zinc/08/33/75/242083375.db2.gz PJEZDDFIBCEYNO-CQSZACIVSA-N 1 2 321.377 2.018 20 5 DEBDLO Cc1cc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282494033 217037974 /nfs/dbraw/zinc/03/79/74/217037974.db2.gz QBGNNOVEAAZVGC-UHFFFAOYSA-N 1 2 318.333 2.004 20 5 DEBDLO Cc1cc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282494033 217037976 /nfs/dbraw/zinc/03/79/76/217037976.db2.gz QBGNNOVEAAZVGC-UHFFFAOYSA-N 1 2 318.333 2.004 20 5 DEBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371550410 296182049 /nfs/dbraw/zinc/18/20/49/296182049.db2.gz CGPOAFOQROYTPE-LBPRGKRZSA-N 1 2 304.281 2.434 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491291105 248917693 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ZINC000246316210 145098878 /nfs/dbraw/zinc/09/88/78/145098878.db2.gz RGSPCBZLPNQJQY-GOEBONIOSA-N 1 2 318.329 2.295 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000246316210 145098879 /nfs/dbraw/zinc/09/88/79/145098879.db2.gz RGSPCBZLPNQJQY-GOEBONIOSA-N 1 2 318.329 2.295 20 5 DEBDLO COc1ccc(OCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000247557015 145141032 /nfs/dbraw/zinc/14/10/32/145141032.db2.gz QLHGQHANIYBSLD-RYUDHWBXSA-N 1 2 310.350 2.091 20 5 DEBDLO COc1ccc(OCC[N@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000247557015 145141034 /nfs/dbraw/zinc/14/10/34/145141034.db2.gz QLHGQHANIYBSLD-RYUDHWBXSA-N 1 2 310.350 2.091 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346179743 146032920 /nfs/dbraw/zinc/03/29/20/146032920.db2.gz RNHSHKKRPKLTMM-SECBINFHSA-N 1 2 308.725 2.263 20 5 DEBDLO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccon1 ZINC000349250198 146362702 /nfs/dbraw/zinc/36/27/02/146362702.db2.gz YKCPSXUDRNBFHO-YGRLFVJLSA-N 1 2 316.317 2.039 20 5 DEBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371364059 148093615 /nfs/dbraw/zinc/09/36/15/148093615.db2.gz KLOPSZDMIBDHAF-IUODEOHRSA-N 1 2 324.340 2.206 20 5 DEBDLO O=[N+]([O-])c1c(N2CCC[C@H]2c2[nH]cc[nH+]2)nc2sccn21 ZINC000374785658 148288916 /nfs/dbraw/zinc/28/89/16/148288916.db2.gz WEKFUKAFNWODSS-QMMMGPOBSA-N 1 2 304.335 2.369 20 5 DEBDLO O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)Nc1ccccc1[N+](=O)[O-] ZINC000375001627 148314830 /nfs/dbraw/zinc/31/48/30/148314830.db2.gz CNKRHDKKTGJBTJ-CYBMUJFWSA-N 1 2 315.333 2.094 20 5 DEBDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607423 401933900 /nfs/dbraw/zinc/93/39/00/401933900.db2.gz VNUDCBUAWIFCCB-CYBMUJFWSA-N 1 2 317.389 2.211 20 5 DEBDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607423 401933903 /nfs/dbraw/zinc/93/39/03/401933903.db2.gz VNUDCBUAWIFCCB-CYBMUJFWSA-N 1 2 317.389 2.211 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813132 401974099 /nfs/dbraw/zinc/97/40/99/401974099.db2.gz YQINKANHYMABRN-CABCVRRESA-N 1 2 322.361 2.046 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813132 401974104 /nfs/dbraw/zinc/97/41/04/401974104.db2.gz YQINKANHYMABRN-CABCVRRESA-N 1 2 322.361 2.046 20 5 DEBDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566172674 292214103 /nfs/dbraw/zinc/21/41/03/292214103.db2.gz GJBQEQVRNIPXKX-GFCCVEGCSA-N 1 2 307.350 2.033 20 5 DEBDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566172674 292214104 /nfs/dbraw/zinc/21/41/04/292214104.db2.gz GJBQEQVRNIPXKX-GFCCVEGCSA-N 1 2 307.350 2.033 20 5 DEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120930027 402007089 /nfs/dbraw/zinc/00/70/89/402007089.db2.gz LRVVFEJFCCEXHH-OAHLLOKOSA-N 1 2 313.313 2.283 20 5 DEBDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000064247275 402118774 /nfs/dbraw/zinc/11/87/74/402118774.db2.gz KFEYTTIPTIYQSK-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000064247275 402118778 /nfs/dbraw/zinc/11/87/78/402118778.db2.gz KFEYTTIPTIYQSK-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153525270 402150808 /nfs/dbraw/zinc/15/08/08/402150808.db2.gz LIZRCEFMLRVVFF-LLVKDONJSA-N 1 2 302.334 2.166 20 5 DEBDLO CC(C)N1CCC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177684012 402426749 /nfs/dbraw/zinc/42/67/49/402426749.db2.gz JPRXARNBQFENPC-OAHLLOKOSA-N 1 2 305.378 2.426 20 5 DEBDLO CC(C)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177684012 402426752 /nfs/dbraw/zinc/42/67/52/402426752.db2.gz JPRXARNBQFENPC-OAHLLOKOSA-N 1 2 305.378 2.426 20 5 DEBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](c2ccsc2)O1 ZINC000246517740 402534723 /nfs/dbraw/zinc/53/47/23/402534723.db2.gz PCLJTGCDQSKBKF-AAEUAGOBSA-N 1 2 322.390 2.315 20 5 DEBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](c2ccsc2)O1 ZINC000246517740 402534726 /nfs/dbraw/zinc/53/47/26/402534726.db2.gz PCLJTGCDQSKBKF-AAEUAGOBSA-N 1 2 322.390 2.315 20 5 DEBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC1CC1 ZINC000179241111 402582706 /nfs/dbraw/zinc/58/27/06/402582706.db2.gz OJAAOFQKUADHNM-UHFFFAOYSA-N 1 2 303.362 2.085 20 5 DEBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC1CC1 ZINC000179241111 402582709 /nfs/dbraw/zinc/58/27/09/402582709.db2.gz OJAAOFQKUADHNM-UHFFFAOYSA-N 1 2 303.362 2.085 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190206625 402584207 /nfs/dbraw/zinc/58/42/07/402584207.db2.gz MQALCHIGVDZYPK-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190206625 402584210 /nfs/dbraw/zinc/58/42/10/402584210.db2.gz MQALCHIGVDZYPK-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO COc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)n1 ZINC000190954963 402633433 /nfs/dbraw/zinc/63/34/33/402633433.db2.gz QSNOJNPWHYECJC-UHFFFAOYSA-N 1 2 303.318 2.297 20 5 DEBDLO CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182101114 402666769 /nfs/dbraw/zinc/66/67/69/402666769.db2.gz WJRVBYWIDCGFNT-UHFFFAOYSA-N 1 2 311.769 2.349 20 5 DEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263961602 402824956 /nfs/dbraw/zinc/82/49/56/402824956.db2.gz XMVDBEDFURMCCU-SECBINFHSA-N 1 2 306.347 2.399 20 5 DEBDLO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000273730550 403027781 /nfs/dbraw/zinc/02/77/81/403027781.db2.gz AHQXWAZGKUUOKM-ZDUSSCGKSA-N 1 2 316.317 2.181 20 5 DEBDLO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000273730550 403027783 /nfs/dbraw/zinc/02/77/83/403027783.db2.gz AHQXWAZGKUUOKM-ZDUSSCGKSA-N 1 2 316.317 2.181 20 5 DEBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000339086520 403349403 /nfs/dbraw/zinc/34/94/03/403349403.db2.gz NPRWWIRQPLYEAW-SNVBAGLBSA-N 1 2 313.317 2.194 20 5 DEBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293151411 403402784 /nfs/dbraw/zinc/40/27/84/403402784.db2.gz OFWPZLKGYBUHAT-OAHLLOKOSA-N 1 2 321.377 2.280 20 5 DEBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293151411 403402787 /nfs/dbraw/zinc/40/27/87/403402787.db2.gz OFWPZLKGYBUHAT-OAHLLOKOSA-N 1 2 321.377 2.280 20 5 DEBDLO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000286210818 403472734 /nfs/dbraw/zinc/47/27/34/403472734.db2.gz YHYBKKDUTUGULW-QURLWZIUSA-N 1 2 310.419 2.369 20 5 DEBDLO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000286210818 403472737 /nfs/dbraw/zinc/47/27/37/403472737.db2.gz YHYBKKDUTUGULW-QURLWZIUSA-N 1 2 310.419 2.369 20 5 DEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343173131 403487022 /nfs/dbraw/zinc/48/70/22/403487022.db2.gz ZOIWBBWHJMPYNW-GFCCVEGCSA-N 1 2 314.345 2.012 20 5 DEBDLO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332271820 403536462 /nfs/dbraw/zinc/53/64/62/403536462.db2.gz CWNLYDRMLADHHZ-GFCCVEGCSA-N 1 2 316.361 2.414 20 5 DEBDLO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332271820 403536465 /nfs/dbraw/zinc/53/64/65/403536465.db2.gz CWNLYDRMLADHHZ-GFCCVEGCSA-N 1 2 316.361 2.414 20 5 DEBDLO CC1(C)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299060151 403511208 /nfs/dbraw/zinc/51/12/08/403511208.db2.gz ORLNPPHFYDUFHP-ZDUSSCGKSA-N 1 2 300.318 2.309 20 5 DEBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1[N+](=O)[O-] ZINC000343370344 403557062 /nfs/dbraw/zinc/55/70/62/403557062.db2.gz RKHCJNXZOLRZQH-UHFFFAOYSA-N 1 2 323.312 2.487 20 5 DEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000287502340 403612341 /nfs/dbraw/zinc/61/23/41/403612341.db2.gz YVVONILPVUDNNA-LBPRGKRZSA-N 1 2 321.377 2.178 20 5 DEBDLO Nc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000302767939 403723279 /nfs/dbraw/zinc/72/32/79/403723279.db2.gz MBMAUFSEGYDOTP-UHFFFAOYSA-N 1 2 324.138 2.342 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351650382 403830622 /nfs/dbraw/zinc/83/06/22/403830622.db2.gz NBPSHGGUTFTDTJ-VIFPVBQESA-N 1 2 307.285 2.141 20 5 DEBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000412049910 404088910 /nfs/dbraw/zinc/08/89/10/404088910.db2.gz ZBPSSTONQAJONM-LLVKDONJSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000412049910 404088918 /nfs/dbraw/zinc/08/89/18/404088918.db2.gz ZBPSSTONQAJONM-LLVKDONJSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000412049910 404088923 /nfs/dbraw/zinc/08/89/23/404088923.db2.gz ZBPSSTONQAJONM-LLVKDONJSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000412049910 404088932 /nfs/dbraw/zinc/08/89/32/404088932.db2.gz ZBPSSTONQAJONM-LLVKDONJSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000412049910 404088938 /nfs/dbraw/zinc/08/89/38/404088938.db2.gz ZBPSSTONQAJONM-LLVKDONJSA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000412049910 404088943 /nfs/dbraw/zinc/08/89/43/404088943.db2.gz ZBPSSTONQAJONM-LLVKDONJSA-N 1 2 305.313 2.150 20 5 DEBDLO CCOCCO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000355216340 404289393 /nfs/dbraw/zinc/28/93/93/404289393.db2.gz DWJPTWMJNYAGAD-GFCCVEGCSA-N 1 2 300.380 2.284 20 5 DEBDLO CCOCCO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000355216340 404289401 /nfs/dbraw/zinc/28/94/01/404289401.db2.gz DWJPTWMJNYAGAD-GFCCVEGCSA-N 1 2 300.380 2.284 20 5 DEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352420673 404358475 /nfs/dbraw/zinc/35/84/75/404358475.db2.gz FMEHFQDOPULOLX-PSASIEDQSA-N 1 2 314.288 2.256 20 5 DEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352420673 404358486 /nfs/dbraw/zinc/35/84/86/404358486.db2.gz FMEHFQDOPULOLX-PSASIEDQSA-N 1 2 314.288 2.256 20 5 DEBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000296556339 404304075 /nfs/dbraw/zinc/30/40/75/404304075.db2.gz CFCQZHZHQSOPDD-LLVKDONJSA-N 1 2 311.313 2.006 20 5 DEBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000296556339 404304083 /nfs/dbraw/zinc/30/40/83/404304083.db2.gz CFCQZHZHQSOPDD-LLVKDONJSA-N 1 2 311.313 2.006 20 5 DEBDLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000297484734 404558698 /nfs/dbraw/zinc/55/86/98/404558698.db2.gz FCQNLUSEOYRRDC-NSHDSACASA-N 1 2 317.349 2.231 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000373707791 404566058 /nfs/dbraw/zinc/56/60/58/404566058.db2.gz LXVGNMOCLOZHBX-GOEBONIOSA-N 1 2 318.373 2.473 20 5 DEBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000373707791 404566063 /nfs/dbraw/zinc/56/60/63/404566063.db2.gz LXVGNMOCLOZHBX-GOEBONIOSA-N 1 2 318.373 2.473 20 5 DEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894490 404684594 /nfs/dbraw/zinc/68/45/94/404684594.db2.gz SWKSYAHWHKTCRV-CHWSQXEVSA-N 1 2 323.368 2.029 20 5 DEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366184845 404768850 /nfs/dbraw/zinc/76/88/50/404768850.db2.gz MMEXRRILLRYRKF-ZDUSSCGKSA-N 1 2 314.345 2.097 20 5 DEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366184845 404768853 /nfs/dbraw/zinc/76/88/53/404768853.db2.gz MMEXRRILLRYRKF-ZDUSSCGKSA-N 1 2 314.345 2.097 20 5 DEBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000367579672 405090745 /nfs/dbraw/zinc/09/07/45/405090745.db2.gz ZMRMDIMLRYJNQF-HZPDHXFCSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1c(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000367579672 405090748 /nfs/dbraw/zinc/09/07/48/405090748.db2.gz ZMRMDIMLRYJNQF-HZPDHXFCSA-N 1 2 306.362 2.283 20 5 DEBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000439466773 405280036 /nfs/dbraw/zinc/28/00/36/405280036.db2.gz HTGOYXYRYBWEKT-OLZOCXBDSA-N 1 2 321.377 2.423 20 5 DEBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000439466773 405280038 /nfs/dbraw/zinc/28/00/38/405280038.db2.gz HTGOYXYRYBWEKT-OLZOCXBDSA-N 1 2 321.377 2.423 20 5 DEBDLO COC(=O)c1cnc(NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000420651347 405367864 /nfs/dbraw/zinc/36/78/64/405367864.db2.gz JVVAGCIKUKBVFZ-UHFFFAOYSA-N 1 2 316.317 2.400 20 5 DEBDLO COCCC[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000446068285 405368644 /nfs/dbraw/zinc/36/86/44/405368644.db2.gz RGWSQKHQXFNPHR-UHFFFAOYSA-N 1 2 302.758 2.079 20 5 DEBDLO COCCC[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000446068285 405368645 /nfs/dbraw/zinc/36/86/45/405368645.db2.gz RGWSQKHQXFNPHR-UHFFFAOYSA-N 1 2 302.758 2.079 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000582191391 405691256 /nfs/dbraw/zinc/69/12/56/405691256.db2.gz WQGLVYGMUFYJGG-GFCCVEGCSA-N 1 2 316.361 2.198 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 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20 5 DEBDLO C[NH+](C)Cc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)no1 ZINC001264207146 1144505428 /nfs/dbraw/zinc/50/54/28/1144505428.db2.gz MXOLTMMVAMGIDU-UHFFFAOYSA-N 1 2 308.269 2.036 20 5 DEBDLO CC(C)c1[nH]cc(CNC(=O)COc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001304106180 1147346277 /nfs/dbraw/zinc/34/62/77/1147346277.db2.gz UUDURHXRCNJPIB-UHFFFAOYSA-N 1 2 318.333 2.137 20 5 DEBDLO CC(C)c1[nH]c(CNC(=O)COc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001304106180 1147346283 /nfs/dbraw/zinc/34/62/83/1147346283.db2.gz UUDURHXRCNJPIB-UHFFFAOYSA-N 1 2 318.333 2.137 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171700099 282181195 /nfs/dbraw/zinc/18/11/95/282181195.db2.gz QMJDIWBGGVYUSV-QWRGUYRKSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCS[C@@H](C)C1 ZINC000171700099 282181199 /nfs/dbraw/zinc/18/11/99/282181199.db2.gz QMJDIWBGGVYUSV-QWRGUYRKSA-N 1 2 309.391 2.359 20 5 DEBDLO CCc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427990875 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Cc1cc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000025931847 354078368 /nfs/dbraw/zinc/07/83/68/354078368.db2.gz ZZUABPHIMFMLDC-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000053371241 354431691 /nfs/dbraw/zinc/43/16/91/354431691.db2.gz NHDKWNZAXTYDEX-UHFFFAOYSA-N 1 2 320.374 2.322 20 5 DEBDLO CCOC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000060493733 354616810 /nfs/dbraw/zinc/61/68/10/354616810.db2.gz IGWJRVAPJJVHQO-UHFFFAOYSA-N 1 2 321.377 2.343 20 5 DEBDLO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000074727465 355045413 /nfs/dbraw/zinc/04/54/13/355045413.db2.gz WNYZRRSDUBWNCI-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092456107 355634095 /nfs/dbraw/zinc/63/40/95/355634095.db2.gz OPUISMZFKDTJOG-LLVKDONJSA-N 1 2 308.334 2.076 20 5 DEBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092456107 355634096 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C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000588070243 357391972 /nfs/dbraw/zinc/39/19/72/357391972.db2.gz VNUHZSDNBRREGO-RYUDHWBXSA-N 1 2 309.341 2.033 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000592828569 357952349 /nfs/dbraw/zinc/95/23/49/357952349.db2.gz VVOUIPHPNXAJEU-SNVBAGLBSA-N 1 2 315.333 2.034 20 5 DEBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593057677 357997313 /nfs/dbraw/zinc/99/73/13/357997313.db2.gz WITZUOLFXRSVPR-CYBMUJFWSA-N 1 2 321.377 2.083 20 5 DEBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593057677 357997311 /nfs/dbraw/zinc/99/73/11/357997311.db2.gz WITZUOLFXRSVPR-CYBMUJFWSA-N 1 2 321.377 2.083 20 5 DEBDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594513926 358287018 /nfs/dbraw/zinc/28/70/18/358287018.db2.gz VCVLTFFHYJXVKV-MFKMUULPSA-N 1 2 317.349 2.415 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000595042758 358382113 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20 5 DEBDLO Cn1cc[nH+]c1[C@@H](NCc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000611560924 361632060 /nfs/dbraw/zinc/63/20/60/361632060.db2.gz MBMPLZPXKBJEOF-AWEZNQCLSA-N 1 2 313.317 2.196 20 5 DEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cncs3)CC2)c1 ZINC000092047816 193147620 /nfs/dbraw/zinc/14/76/20/193147620.db2.gz ONCPPGKIUNGKKE-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000456348816 247111034 /nfs/dbraw/zinc/11/10/34/247111034.db2.gz INXBBBNNKZLNPE-SNVBAGLBSA-N 1 2 317.349 2.344 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456383563 247142288 /nfs/dbraw/zinc/14/22/88/247142288.db2.gz NLKMHYDLXJCZSI-CABZTGNLSA-N 1 2 316.317 2.236 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000456401201 247164911 /nfs/dbraw/zinc/16/49/11/247164911.db2.gz VNXMPGQGBUVWTL-SNVBAGLBSA-N 1 2 318.333 2.311 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000492074318 248996389 /nfs/dbraw/zinc/99/63/89/248996389.db2.gz STTKAGCASIBEDT-HYXAFXHYSA-N 1 2 304.281 2.095 20 5 DEBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000492531504 249083929 /nfs/dbraw/zinc/08/39/29/249083929.db2.gz JGROAMXMEAEICW-SREVYHEPSA-N 1 2 316.317 2.472 20 5 DEBDLO CCOc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000492817946 249146940 /nfs/dbraw/zinc/14/69/40/249146940.db2.gz MNIZZYQXCQHWIW-FZMZJTMJSA-N 1 2 321.377 2.079 20 5 DEBDLO CCOc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000492817946 249146943 /nfs/dbraw/zinc/14/69/43/249146943.db2.gz MNIZZYQXCQHWIW-FZMZJTMJSA-N 1 2 321.377 2.079 20 5 DEBDLO Cc1c(CC(=O)NCCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000533027064 284748816 /nfs/dbraw/zinc/74/88/16/284748816.db2.gz QGVPAYSAFWFSCK-UHFFFAOYSA-N 1 2 316.361 2.239 20 5 DEBDLO COCc1noc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285159753 218314399 /nfs/dbraw/zinc/31/43/99/218314399.db2.gz AMHWUGDQUMURKH-NSHDSACASA-N 1 2 320.349 2.360 20 5 DEBDLO COCc1noc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285159753 218314402 /nfs/dbraw/zinc/31/44/02/218314402.db2.gz AMHWUGDQUMURKH-NSHDSACASA-N 1 2 320.349 2.360 20 5 DEBDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000452040078 285267569 /nfs/dbraw/zinc/26/75/69/285267569.db2.gz PPMYRDCGWAAXNF-ZDUSSCGKSA-N 1 2 321.377 2.343 20 5 DEBDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000452040078 285267571 /nfs/dbraw/zinc/26/75/71/285267571.db2.gz PPMYRDCGWAAXNF-ZDUSSCGKSA-N 1 2 321.377 2.343 20 5 DEBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295114625 224446446 /nfs/dbraw/zinc/44/64/46/224446446.db2.gz MEKFEYAWJCKZEX-GFCCVEGCSA-N 1 2 311.313 2.006 20 5 DEBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295114625 224446448 /nfs/dbraw/zinc/44/64/48/224446448.db2.gz MEKFEYAWJCKZEX-GFCCVEGCSA-N 1 2 311.313 2.006 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492188358 533406287 /nfs/dbraw/zinc/40/62/87/533406287.db2.gz NBXXFVAEDKQVOG-CUXKMMBLSA-N 1 2 317.345 2.135 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492188358 533406289 /nfs/dbraw/zinc/40/62/89/533406289.db2.gz NBXXFVAEDKQVOG-CUXKMMBLSA-N 1 2 317.345 2.135 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000355348673 133020264 /nfs/dbraw/zinc/02/02/64/133020264.db2.gz ZWOAVULBRRKLOX-UHFFFAOYSA-N 1 2 316.361 2.446 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000355348673 133020265 /nfs/dbraw/zinc/02/02/65/133020265.db2.gz ZWOAVULBRRKLOX-UHFFFAOYSA-N 1 2 316.361 2.446 20 5 DEBDLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000358127467 133122841 /nfs/dbraw/zinc/12/28/41/133122841.db2.gz HSGZCDLJJMVFNZ-UHFFFAOYSA-N 1 2 306.297 2.051 20 5 DEBDLO Cc1cccc(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000359843401 133148913 /nfs/dbraw/zinc/14/89/13/133148913.db2.gz MDYLNVAMLDEEOU-UHFFFAOYSA-N 1 2 300.318 2.052 20 5 DEBDLO CSc1cccc(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000362530358 133236225 /nfs/dbraw/zinc/23/62/25/133236225.db2.gz AMTOIYOZSUTGFJ-UHFFFAOYSA-N 1 2 320.374 2.322 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000338269869 296508032 /nfs/dbraw/zinc/50/80/32/296508032.db2.gz CCIXGMROLFMPDO-BPLDGKMQSA-N 1 2 304.346 2.348 20 5 DEBDLO Cc1c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000247061001 145125421 /nfs/dbraw/zinc/12/54/21/145125421.db2.gz IPTGNQHVBWUZIK-CVEARBPZSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1c(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000247061001 145125422 /nfs/dbraw/zinc/12/54/22/145125422.db2.gz IPTGNQHVBWUZIK-CVEARBPZSA-N 1 2 306.362 2.283 20 5 DEBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000247557003 145140825 /nfs/dbraw/zinc/14/08/25/145140825.db2.gz QLHGQHANIYBSLD-NWDGAFQWSA-N 1 2 310.350 2.091 20 5 DEBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000247557003 145140827 /nfs/dbraw/zinc/14/08/27/145140827.db2.gz QLHGQHANIYBSLD-NWDGAFQWSA-N 1 2 310.350 2.091 20 5 DEBDLO Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000247999659 145146604 /nfs/dbraw/zinc/14/66/04/145146604.db2.gz RZNKTCYJLLKERR-UHFFFAOYSA-N 1 2 300.318 2.140 20 5 DEBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)c1C ZINC000346696779 146126346 /nfs/dbraw/zinc/12/63/46/146126346.db2.gz VMDJUYWOOGLTOE-UHFFFAOYSA-N 1 2 318.333 2.216 20 5 DEBDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC000351993328 146457815 /nfs/dbraw/zinc/45/78/15/146457815.db2.gz IGTMFPHZJGIJIK-UHFFFAOYSA-N 1 2 319.317 2.394 20 5 DEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000370616731 148036670 /nfs/dbraw/zinc/03/66/70/148036670.db2.gz WLBRZWFKRJMVLM-NSHDSACASA-N 1 2 318.333 2.016 20 5 DEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000371255906 148077778 /nfs/dbraw/zinc/07/77/78/148077778.db2.gz NAROCMDMTCISET-SNVBAGLBSA-N 1 2 320.374 2.469 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000374416987 148243817 /nfs/dbraw/zinc/24/38/17/148243817.db2.gz UNZBNRLVURIJIX-MNOVXSKESA-N 1 2 312.395 2.107 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126596870 401700726 /nfs/dbraw/zinc/70/07/26/401700726.db2.gz WNGGSYHNYVCSBF-UHFFFAOYSA-N 1 2 311.345 2.331 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126596870 401700729 /nfs/dbraw/zinc/70/07/29/401700729.db2.gz WNGGSYHNYVCSBF-UHFFFAOYSA-N 1 2 311.345 2.331 20 5 DEBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000112496554 401747621 /nfs/dbraw/zinc/74/76/21/401747621.db2.gz GJVLDSPCYCOKSH-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000075889760 401772995 /nfs/dbraw/zinc/77/29/95/401772995.db2.gz FKJZPVNTDUTCSQ-CYBMUJFWSA-N 1 2 323.368 2.031 20 5 DEBDLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605662 401933875 /nfs/dbraw/zinc/93/38/75/401933875.db2.gz WIYMJAXFFGDTKL-LBPRGKRZSA-N 1 2 305.378 2.210 20 5 DEBDLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605662 401933878 /nfs/dbraw/zinc/93/38/78/401933878.db2.gz WIYMJAXFFGDTKL-LBPRGKRZSA-N 1 2 305.378 2.210 20 5 DEBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152271830 402085767 /nfs/dbraw/zinc/08/57/67/402085767.db2.gz QENDTHPMSPDVHL-UHFFFAOYSA-N 1 2 314.407 2.240 20 5 DEBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152271830 402085770 /nfs/dbraw/zinc/08/57/70/402085770.db2.gz QENDTHPMSPDVHL-UHFFFAOYSA-N 1 2 314.407 2.240 20 5 DEBDLO CSCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123712502 402142790 /nfs/dbraw/zinc/14/27/90/402142790.db2.gz OTVNHBNEZSGISB-UHFFFAOYSA-N 1 2 320.374 2.263 20 5 DEBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000068420979 402197093 /nfs/dbraw/zinc/19/70/93/402197093.db2.gz ILXNAVRCVZKBFO-UHFFFAOYSA-N 1 2 304.306 2.205 20 5 DEBDLO Cc1ccn2cc(CNC(=O)Cc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000071435578 402275088 /nfs/dbraw/zinc/27/50/88/402275088.db2.gz ZROXXHRQPUVRCY-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163298787 402446235 /nfs/dbraw/zinc/44/62/35/402446235.db2.gz IWLHIPIKHSHSCM-ZDUSSCGKSA-N 1 2 311.769 2.301 20 5 DEBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163298787 402446236 /nfs/dbraw/zinc/44/62/36/402446236.db2.gz IWLHIPIKHSHSCM-ZDUSSCGKSA-N 1 2 311.769 2.301 20 5 DEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1csc([N+](=O)[O-])c1 ZINC000178351548 402487941 /nfs/dbraw/zinc/48/79/41/402487941.db2.gz YIXDWSRRLBUNNM-UHFFFAOYSA-N 1 2 302.315 2.234 20 5 DEBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)CO1 ZINC000174882252 402760988 /nfs/dbraw/zinc/76/09/88/402760988.db2.gz FWKSDVRIIQERFF-BBRMVZONSA-N 1 2 316.361 2.253 20 5 DEBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)CO1 ZINC000174882252 402760991 /nfs/dbraw/zinc/76/09/91/402760991.db2.gz FWKSDVRIIQERFF-BBRMVZONSA-N 1 2 316.361 2.253 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000175069385 402776240 /nfs/dbraw/zinc/77/62/40/402776240.db2.gz KXPMQMXYWGOKJB-CQSZACIVSA-N 1 2 321.377 2.046 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000175069385 402776243 /nfs/dbraw/zinc/77/62/43/402776243.db2.gz KXPMQMXYWGOKJB-CQSZACIVSA-N 1 2 321.377 2.046 20 5 DEBDLO CCN(CCO)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267228158 403027109 /nfs/dbraw/zinc/02/71/09/403027109.db2.gz PJSDCRIUZLVBFL-UHFFFAOYSA-N 1 2 302.334 2.179 20 5 DEBDLO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277375754 403211043 /nfs/dbraw/zinc/21/10/43/403211043.db2.gz FYYASIXPVLVWEQ-LALWHOCMSA-N 1 2 308.403 2.308 20 5 DEBDLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277375754 403211045 /nfs/dbraw/zinc/21/10/45/403211045.db2.gz FYYASIXPVLVWEQ-LALWHOCMSA-N 1 2 308.403 2.308 20 5 DEBDLO O=C(CCn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270734617 403218711 /nfs/dbraw/zinc/21/87/11/403218711.db2.gz VLALJMYWZBMIOZ-UHFFFAOYSA-N 1 2 314.345 2.373 20 5 DEBDLO Cc1cc(N(C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292286065 403344254 /nfs/dbraw/zinc/34/42/54/403344254.db2.gz JZYMDEZEAVCPCC-NSHDSACASA-N 1 2 302.334 2.177 20 5 DEBDLO COC(=O)c1cnoc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285642560 403346563 /nfs/dbraw/zinc/34/65/63/403346563.db2.gz OAJVBKBVXHGSME-VIFPVBQESA-N 1 2 305.290 2.220 20 5 DEBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331790485 403455657 /nfs/dbraw/zinc/45/56/57/403455657.db2.gz GSDAGEBRJDKSEL-CQSZACIVSA-N 1 2 302.334 2.371 20 5 DEBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331790485 403455660 /nfs/dbraw/zinc/45/56/60/403455660.db2.gz GSDAGEBRJDKSEL-CQSZACIVSA-N 1 2 302.334 2.371 20 5 DEBDLO CNc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000301867735 403693503 /nfs/dbraw/zinc/69/35/03/403693503.db2.gz GMJKKVXDFWARLJ-UHFFFAOYSA-N 1 2 322.346 2.179 20 5 DEBDLO COc1cc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000302752859 403720778 /nfs/dbraw/zinc/72/07/78/403720778.db2.gz HTHGVLBUCPNBKI-UHFFFAOYSA-N 1 2 304.306 2.201 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000354577664 403885332 /nfs/dbraw/zinc/88/53/32/403885332.db2.gz XPFYTFMPXVCZNV-UHFFFAOYSA-N 1 2 316.365 2.278 20 5 DEBDLO CN(C)c1nccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344317546 404053669 /nfs/dbraw/zinc/05/36/69/404053669.db2.gz ATYOOLBEBRAXGF-UHFFFAOYSA-N 1 2 321.768 2.394 20 5 DEBDLO CC[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000290177364 404070564 /nfs/dbraw/zinc/07/05/64/404070564.db2.gz NFRORESOQIVCDI-LSDHHAIUSA-N 1 2 318.377 2.432 20 5 DEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000341721372 404134447 /nfs/dbraw/zinc/13/44/47/404134447.db2.gz RZHPWZVMBXDHPF-NSHDSACASA-N 1 2 306.347 2.271 20 5 DEBDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364296108 404335766 /nfs/dbraw/zinc/33/57/66/404335766.db2.gz TUWXEUMRQKJUPJ-DZGCQCFKSA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364296108 404335768 /nfs/dbraw/zinc/33/57/68/404335768.db2.gz TUWXEUMRQKJUPJ-DZGCQCFKSA-N 1 2 304.346 2.165 20 5 DEBDLO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000364302842 404339858 /nfs/dbraw/zinc/33/98/58/404339858.db2.gz INBQGUFXLIPUFD-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC=C(F)C1 ZINC000352783378 404618546 /nfs/dbraw/zinc/61/85/46/404618546.db2.gz JVIQSUDDDVCJAW-UHFFFAOYSA-N 1 2 321.308 2.452 20 5 DEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC=C(F)C1 ZINC000352783378 404618552 /nfs/dbraw/zinc/61/85/52/404618552.db2.gz JVIQSUDDDVCJAW-UHFFFAOYSA-N 1 2 321.308 2.452 20 5 DEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894492 404684561 /nfs/dbraw/zinc/68/45/61/404684561.db2.gz SWKSYAHWHKTCRV-OLZOCXBDSA-N 1 2 323.368 2.029 20 5 DEBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000360678244 404833830 /nfs/dbraw/zinc/83/38/30/404833830.db2.gz CMKCXKRGUMXQTP-LLVKDONJSA-N 1 2 302.334 2.111 20 5 DEBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000360678244 404833833 /nfs/dbraw/zinc/83/38/33/404833833.db2.gz CMKCXKRGUMXQTP-LLVKDONJSA-N 1 2 302.334 2.111 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000375928846 404773948 /nfs/dbraw/zinc/77/39/48/404773948.db2.gz BXWNDLJZEBWUQQ-GFCCVEGCSA-N 1 2 314.345 2.348 20 5 DEBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)C[NH+]1CCCC1 ZINC000436603570 405108997 /nfs/dbraw/zinc/10/89/97/405108997.db2.gz LZEBSJUNPSFQNH-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452037290 405134574 /nfs/dbraw/zinc/13/45/74/405134574.db2.gz KODCNOMHKRVMBL-GFCCVEGCSA-N 1 2 307.350 2.034 20 5 DEBDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452037290 405134580 /nfs/dbraw/zinc/13/45/80/405134580.db2.gz KODCNOMHKRVMBL-GFCCVEGCSA-N 1 2 307.350 2.034 20 5 DEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCO1 ZINC000439471509 405280701 /nfs/dbraw/zinc/28/07/01/405280701.db2.gz RNGRQOHJDWGSRF-CYBMUJFWSA-N 1 2 321.377 2.343 20 5 DEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCO1 ZINC000439471509 405280704 /nfs/dbraw/zinc/28/07/04/405280704.db2.gz RNGRQOHJDWGSRF-CYBMUJFWSA-N 1 2 321.377 2.343 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000492074317 405479414 /nfs/dbraw/zinc/47/94/14/405479414.db2.gz STTKAGCASIBEDT-HWKANZROSA-N 1 2 304.281 2.095 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](F)C1 ZINC000569937456 406323747 /nfs/dbraw/zinc/32/37/47/406323747.db2.gz UZJXHXDWEKVYEN-GFCCVEGCSA-N 1 2 318.308 2.355 20 5 DEBDLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000570340607 292477645 /nfs/dbraw/zinc/47/76/45/292477645.db2.gz WSUYTLINXWQDEH-UHFFFAOYSA-N 1 2 302.334 2.302 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nccs3)CC2)cc1 ZINC000134957575 196435143 /nfs/dbraw/zinc/43/51/43/196435143.db2.gz NCTRCMWKVINGBF-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cn4ccccc4[nH+]3)c21 ZINC000347436682 425012556 /nfs/dbraw/zinc/01/25/56/425012556.db2.gz UFUYWRGBEWGNBD-UHFFFAOYSA-N 1 2 320.312 2.798 20 5 DEBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCNc1cccc[nH+]1 ZINC000352366658 425044691 /nfs/dbraw/zinc/04/46/91/425044691.db2.gz HLVHTAQUHLNONT-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DEBDLO CO[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000488117268 277299683 /nfs/dbraw/zinc/29/96/83/277299683.db2.gz YWDPOYDAOBBXTN-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO CO[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000488117268 277299684 /nfs/dbraw/zinc/29/96/84/277299684.db2.gz YWDPOYDAOBBXTN-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184679229 278341221 /nfs/dbraw/zinc/34/12/21/278341221.db2.gz KXOWXGYMKRLRRP-UHFFFAOYSA-N 1 2 321.377 2.293 20 5 DEBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362854421 294385445 /nfs/dbraw/zinc/38/54/45/294385445.db2.gz XWWLYVCGGQSZDL-ZDUSSCGKSA-N 1 2 303.366 2.394 20 5 DEBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362854421 294385449 /nfs/dbraw/zinc/38/54/49/294385449.db2.gz XWWLYVCGGQSZDL-ZDUSSCGKSA-N 1 2 303.366 2.394 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000575925790 326256722 /nfs/dbraw/zinc/25/67/22/326256722.db2.gz SGFIHEAHMNANOH-FZMZJTMJSA-N 1 2 312.391 2.426 20 5 DEBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000575925790 326256721 /nfs/dbraw/zinc/25/67/21/326256721.db2.gz SGFIHEAHMNANOH-FZMZJTMJSA-N 1 2 312.391 2.426 20 5 DEBDLO C[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CO1 ZINC000575987910 326261191 /nfs/dbraw/zinc/26/11/91/326261191.db2.gz RHRVYCUPOOMIKF-KYOSRNDESA-N 1 2 316.361 2.185 20 5 DEBDLO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CO1 ZINC000575987911 326261282 /nfs/dbraw/zinc/26/12/82/326261282.db2.gz RHRVYCUPOOMIKF-OSAQELSMSA-N 1 2 316.361 2.185 20 5 DEBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000193971298 534068273 /nfs/dbraw/zinc/06/82/73/534068273.db2.gz SVNVCJSNGOOXHU-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339192103 524024171 /nfs/dbraw/zinc/02/41/71/524024171.db2.gz KLUVPGDCARFQNI-RLTXXFFMSA-N 1 2 304.346 2.156 20 5 DEBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339192103 524024174 /nfs/dbraw/zinc/02/41/74/524024174.db2.gz KLUVPGDCARFQNI-RLTXXFFMSA-N 1 2 304.346 2.156 20 5 DEBDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000246001749 524667092 /nfs/dbraw/zinc/66/70/92/524667092.db2.gz DVTMRYMVNCOKSQ-FZMZJTMJSA-N 1 2 321.402 2.137 20 5 DEBDLO C[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000246001749 524667097 /nfs/dbraw/zinc/66/70/97/524667097.db2.gz DVTMRYMVNCOKSQ-FZMZJTMJSA-N 1 2 321.402 2.137 20 5 DEBDLO CC(C)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000189778325 528071302 /nfs/dbraw/zinc/07/13/02/528071302.db2.gz AOWXYAQXTCCVJF-UHFFFAOYSA-N 1 2 302.334 2.414 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000456366275 536122302 /nfs/dbraw/zinc/12/23/02/536122302.db2.gz ZRMJZIDYCDEXIF-NSHDSACASA-N 1 2 302.334 2.231 20 5 DEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000178064229 625125146 /nfs/dbraw/zinc/12/51/46/625125146.db2.gz SMZCYAIZWVALPO-UHFFFAOYSA-N 1 2 314.276 2.312 20 5 DEBDLO Cc1nc(N2CC[NH+](Cc3cncs3)CC2)ccc1[N+](=O)[O-] ZINC000894848363 637253505 /nfs/dbraw/zinc/25/35/05/637253505.db2.gz NSERPWWQLAXUDN-UHFFFAOYSA-N 1 2 319.390 2.077 20 5 DEBDLO CN(CCCF)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000895300407 637902111 /nfs/dbraw/zinc/90/21/11/637902111.db2.gz LDSWHDWFPDXVFD-UHFFFAOYSA-N 1 2 306.297 2.212 20 5 DEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742195379 638044646 /nfs/dbraw/zinc/04/46/46/638044646.db2.gz HCYKYBBDCIDERC-NWDGAFQWSA-N 1 2 323.418 2.238 20 5 DEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742195379 638044651 /nfs/dbraw/zinc/04/46/51/638044651.db2.gz HCYKYBBDCIDERC-NWDGAFQWSA-N 1 2 323.418 2.238 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCn2nncc2C1 ZINC000895756650 638183015 /nfs/dbraw/zinc/18/30/15/638183015.db2.gz JVLPXNIJNZNYPD-UHFFFAOYSA-N 1 2 301.350 2.209 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCn2nncc2C1 ZINC000895756650 638183021 /nfs/dbraw/zinc/18/30/21/638183021.db2.gz JVLPXNIJNZNYPD-UHFFFAOYSA-N 1 2 301.350 2.209 20 5 DEBDLO Nc1ccc(CCC(=O)OCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000759812492 640121446 /nfs/dbraw/zinc/12/14/46/640121446.db2.gz SJNMCGJYCZUBRX-UHFFFAOYSA-N 1 2 301.302 2.248 20 5 DEBDLO CC[C@@H]1C(=O)NCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000898541440 641698390 /nfs/dbraw/zinc/69/83/90/641698390.db2.gz KQSORWRNCGQZDY-LHRNQBEKSA-N 1 2 303.362 2.209 20 5 DEBDLO CC[C@@H]1C(=O)NCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000898541440 641698393 /nfs/dbraw/zinc/69/83/93/641698393.db2.gz KQSORWRNCGQZDY-LHRNQBEKSA-N 1 2 303.362 2.209 20 5 DEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900347732 642343107 /nfs/dbraw/zinc/34/31/07/642343107.db2.gz AMZVBIFXSQFPGK-UHFFFAOYSA-N 1 2 302.334 2.298 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779886012 642554378 /nfs/dbraw/zinc/55/43/78/642554378.db2.gz SEEMBRKZLGHOQQ-CQSZACIVSA-N 1 2 316.361 2.458 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779886012 642554383 /nfs/dbraw/zinc/55/43/83/642554383.db2.gz SEEMBRKZLGHOQQ-CQSZACIVSA-N 1 2 316.361 2.458 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc3n2CCC3)cc1Cl ZINC000783594132 643025410 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20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910027597 645287977 /nfs/dbraw/zinc/28/79/77/645287977.db2.gz LRGPQMHDSLHGIO-LSDHHAIUSA-N 1 2 315.329 2.218 20 5 DEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000843805799 651033020 /nfs/dbraw/zinc/03/30/20/651033020.db2.gz UNWSEALCQJTEMF-SNVBAGLBSA-N 1 2 320.324 2.305 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCC(C)(C)C1=O ZINC000840080287 645891499 /nfs/dbraw/zinc/89/14/99/645891499.db2.gz PFPPQNLOBKCASU-UHFFFAOYSA-N 1 2 305.378 2.285 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCC(C)(C)C1=O ZINC000840080287 645891502 /nfs/dbraw/zinc/89/15/02/645891502.db2.gz PFPPQNLOBKCASU-UHFFFAOYSA-N 1 2 305.378 2.285 20 5 DEBDLO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809577328 646240455 /nfs/dbraw/zinc/24/04/55/646240455.db2.gz OBWCPOACOVWBKP-ZDUSSCGKSA-N 1 2 300.742 2.020 20 5 DEBDLO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809577328 646240463 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O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000338269876 296508189 /nfs/dbraw/zinc/50/81/89/296508189.db2.gz CCIXGMROLFMPDO-YUELXQCFSA-N 1 2 304.346 2.348 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000287116626 296511611 /nfs/dbraw/zinc/51/16/11/296511611.db2.gz WEYYMJDGMXNZDO-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000348320632 146254325 /nfs/dbraw/zinc/25/43/25/146254325.db2.gz GWQIBPAKTQPHRJ-UHFFFAOYSA-N 1 2 301.302 2.237 20 5 DEBDLO CCN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000348413773 146268431 /nfs/dbraw/zinc/26/84/31/146268431.db2.gz XHBCCYCWSOIADN-HNNXBMFYSA-N 1 2 315.377 2.197 20 5 DEBDLO CCN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000348413773 146268433 /nfs/dbraw/zinc/26/84/33/146268433.db2.gz XHBCCYCWSOIADN-HNNXBMFYSA-N 1 2 315.377 2.197 20 5 DEBDLO CCn1ncnc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000359067625 147256501 /nfs/dbraw/zinc/25/65/01/147256501.db2.gz JWXWLUWCCLRJNI-CQSZACIVSA-N 1 2 301.350 2.373 20 5 DEBDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000112644752 401752645 /nfs/dbraw/zinc/75/26/45/401752645.db2.gz DXQBNYZRUNSMBJ-WDEREUQCSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000112644752 401752648 /nfs/dbraw/zinc/75/26/48/401752648.db2.gz DXQBNYZRUNSMBJ-WDEREUQCSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153418407 402144035 /nfs/dbraw/zinc/14/40/35/402144035.db2.gz GUZDORVYDPJVKQ-YBJDMEARSA-N 1 2 314.345 2.257 20 5 DEBDLO Cc1cccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000153496335 402148679 /nfs/dbraw/zinc/14/86/79/402148679.db2.gz VZBBACNBIBVQLR-NSHDSACASA-N 1 2 302.334 2.166 20 5 DEBDLO Cc1c[nH+]ccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067306158 402156335 /nfs/dbraw/zinc/15/63/35/402156335.db2.gz PZNBVESTHUOEMV-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068477773 402199644 /nfs/dbraw/zinc/19/96/44/402199644.db2.gz KBVNQEZNFVTDHI-NEPJUHHUSA-N 1 2 321.377 2.421 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068477773 402199647 /nfs/dbraw/zinc/19/96/47/402199647.db2.gz KBVNQEZNFVTDHI-NEPJUHHUSA-N 1 2 321.377 2.421 20 5 DEBDLO COc1cc(OCC(=O)Nc2cc[nH+]c(C)c2)ccc1[N+](=O)[O-] ZINC000069126341 402214200 /nfs/dbraw/zinc/21/42/00/402214200.db2.gz RHTMBDOXSRXPBJ-UHFFFAOYSA-N 1 2 317.301 2.324 20 5 DEBDLO CSc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000070980988 402268649 /nfs/dbraw/zinc/26/86/49/402268649.db2.gz FNIQNDSUTXVKBR-UHFFFAOYSA-N 1 2 306.347 2.312 20 5 DEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000126184831 402268643 /nfs/dbraw/zinc/26/86/43/402268643.db2.gz BAOVZYFYCFUCPL-LBPRGKRZSA-N 1 2 307.350 2.034 20 5 DEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000126184831 402268646 /nfs/dbraw/zinc/26/86/46/402268646.db2.gz BAOVZYFYCFUCPL-LBPRGKRZSA-N 1 2 307.350 2.034 20 5 DEBDLO COCC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185895146 402387007 /nfs/dbraw/zinc/38/70/07/402387007.db2.gz QYASLUIHSUQXBP-LBPRGKRZSA-N 1 2 319.361 2.200 20 5 DEBDLO COCC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185895146 402387009 /nfs/dbraw/zinc/38/70/09/402387009.db2.gz QYASLUIHSUQXBP-LBPRGKRZSA-N 1 2 319.361 2.200 20 5 DEBDLO COC(=O)C[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245521036 402468170 /nfs/dbraw/zinc/46/81/70/402468170.db2.gz KHLKJSQALJHSPA-JSGCOSHPSA-N 1 2 322.361 2.228 20 5 DEBDLO COC(=O)C[C@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245521036 402468172 /nfs/dbraw/zinc/46/81/72/402468172.db2.gz KHLKJSQALJHSPA-JSGCOSHPSA-N 1 2 322.361 2.228 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000178419865 402496515 /nfs/dbraw/zinc/49/65/15/402496515.db2.gz ZNNLTNXHHMVHJX-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO CCOC(=O)[C@H](C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190845193 402626801 /nfs/dbraw/zinc/62/68/01/402626801.db2.gz NEDUTRYBCPNXBH-LBPRGKRZSA-N 1 2 322.361 2.390 20 5 DEBDLO CCOC(=O)[C@H](C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190845193 402626804 /nfs/dbraw/zinc/62/68/04/402626804.db2.gz NEDUTRYBCPNXBH-LBPRGKRZSA-N 1 2 322.361 2.390 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171702240 402611916 /nfs/dbraw/zinc/61/19/16/402611916.db2.gz UMOKIPUCQSNNHB-QWRGUYRKSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@@H](C)C1 ZINC000171702240 402611918 /nfs/dbraw/zinc/61/19/18/402611918.db2.gz UMOKIPUCQSNNHB-QWRGUYRKSA-N 1 2 309.391 2.359 20 5 DEBDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000171750871 402618469 /nfs/dbraw/zinc/61/84/69/402618469.db2.gz KNPKNDVSMJITDB-UHFFFAOYSA-N 1 2 320.374 2.091 20 5 DEBDLO Cc1ncsc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000171750871 402618471 /nfs/dbraw/zinc/61/84/71/402618471.db2.gz KNPKNDVSMJITDB-UHFFFAOYSA-N 1 2 320.374 2.091 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1O ZINC000250096618 402644561 /nfs/dbraw/zinc/64/45/61/402644561.db2.gz QUVGKOLTEABRMR-BXKDBHETSA-N 1 2 316.304 2.399 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1O ZINC000250096618 402644562 /nfs/dbraw/zinc/64/45/62/402644562.db2.gz QUVGKOLTEABRMR-BXKDBHETSA-N 1 2 316.304 2.399 20 5 DEBDLO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182061568 402665957 /nfs/dbraw/zinc/66/59/57/402665957.db2.gz XPZAIIRZYONGEH-LBPRGKRZSA-N 1 2 321.377 2.104 20 5 DEBDLO COc1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1[N+](=O)[O-] ZINC000264371335 402871977 /nfs/dbraw/zinc/87/19/77/402871977.db2.gz VDAMZIBLTYLORC-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO Cc1[nH]ncc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271492915 402876558 /nfs/dbraw/zinc/87/65/58/402876558.db2.gz MACOAIIKWNGBFS-SNVBAGLBSA-N 1 2 317.349 2.133 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282109833 403123477 /nfs/dbraw/zinc/12/34/77/403123477.db2.gz JASSXNMLTVSWBX-DGCLKSJQSA-N 1 2 312.391 2.083 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282109833 403123479 /nfs/dbraw/zinc/12/34/79/403123479.db2.gz JASSXNMLTVSWBX-DGCLKSJQSA-N 1 2 312.391 2.083 20 5 DEBDLO COCC1(O)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000270419533 403189993 /nfs/dbraw/zinc/18/99/93/403189993.db2.gz ZMYYOEFCVRMXIA-UHFFFAOYSA-N 1 2 314.769 2.222 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343155775 403480274 /nfs/dbraw/zinc/48/02/74/403480274.db2.gz CKGHTFBRDFXPHI-JTQLQIEISA-N 1 2 314.301 2.356 20 5 DEBDLO C[C@@H](O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332279110 403538410 /nfs/dbraw/zinc/53/84/10/403538410.db2.gz WIPPAUFOAYBJTK-SNVBAGLBSA-N 1 2 304.350 2.064 20 5 DEBDLO Cn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000345818402 403496385 /nfs/dbraw/zinc/49/63/85/403496385.db2.gz PKLDIRLPUQAYKF-UHFFFAOYSA-N 1 2 312.276 2.220 20 5 DEBDLO CC1(C)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299060148 403511140 /nfs/dbraw/zinc/51/11/40/403511140.db2.gz ORLNPPHFYDUFHP-CYBMUJFWSA-N 1 2 300.318 2.309 20 5 DEBDLO Cc1cc(N2CCC[C@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301415666 403626029 /nfs/dbraw/zinc/62/60/29/403626029.db2.gz QUWVHNXEPZBBKF-AWEZNQCLSA-N 1 2 314.345 2.321 20 5 DEBDLO Cc1[nH]c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000351627835 403813466 /nfs/dbraw/zinc/81/34/66/403813466.db2.gz LDFRTGVFCVOVIF-UHFFFAOYSA-N 1 2 308.725 2.252 20 5 DEBDLO CCN(CCOC)c1cccc(Cn2c(C)ncc2[N+](=O)[O-])[nH+]1 ZINC000351656368 403833614 /nfs/dbraw/zinc/83/36/14/403833614.db2.gz STLOPNUFSKWRTC-UHFFFAOYSA-N 1 2 319.365 2.016 20 5 DEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000341717643 404131966 /nfs/dbraw/zinc/13/19/66/404131966.db2.gz IWXUWTGGEJZOHI-NSHDSACASA-N 1 2 306.347 2.271 20 5 DEBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296229586 404154686 /nfs/dbraw/zinc/15/46/86/404154686.db2.gz XFDZNALXWROTBG-CQSZACIVSA-N 1 2 321.377 2.280 20 5 DEBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296229586 404154688 /nfs/dbraw/zinc/15/46/88/404154688.db2.gz XFDZNALXWROTBG-CQSZACIVSA-N 1 2 321.377 2.280 20 5 DEBDLO O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355147527 404245005 /nfs/dbraw/zinc/24/50/05/404245005.db2.gz IOAFVKYKHHWLMV-UHFFFAOYSA-N 1 2 314.345 2.442 20 5 DEBDLO Cn1c[nH+]cc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000355253670 404312638 /nfs/dbraw/zinc/31/26/38/404312638.db2.gz IEDKDMFNCPNIGZ-UHFFFAOYSA-N 1 2 316.342 2.473 20 5 DEBDLO COC1(C)CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000342185488 404428595 /nfs/dbraw/zinc/42/85/95/404428595.db2.gz WIBBLTIPMYMXAB-UHFFFAOYSA-N 1 2 321.377 2.343 20 5 DEBDLO COCCC1(C)C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000297305664 404545950 /nfs/dbraw/zinc/54/59/50/404545950.db2.gz BXENZKDUKFQQEF-UHFFFAOYSA-N 1 2 324.377 2.470 20 5 DEBDLO Cc1nn(C)c(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000352902046 404687709 /nfs/dbraw/zinc/68/77/09/404687709.db2.gz ZCXDHFBDRCXDFE-UHFFFAOYSA-N 1 2 314.305 2.074 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000365618196 404700878 /nfs/dbraw/zinc/70/08/78/404700878.db2.gz DZJOCCGMHSIEES-CYBMUJFWSA-N 1 2 314.345 2.348 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352991170 404713191 /nfs/dbraw/zinc/71/31/91/404713191.db2.gz SHKDNFPZSKSDHK-ZOWXZIJZSA-N 1 2 324.402 2.083 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352991170 404713196 /nfs/dbraw/zinc/71/31/96/404713196.db2.gz SHKDNFPZSKSDHK-ZOWXZIJZSA-N 1 2 324.402 2.083 20 5 DEBDLO CCC[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353521736 404856012 /nfs/dbraw/zinc/85/60/12/404856012.db2.gz SIEPKMCLLBCJEU-HUUCEWRRSA-N 1 2 318.377 2.168 20 5 DEBDLO Cc1ccc[nH+]c1CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420625417 405363413 /nfs/dbraw/zinc/36/34/13/405363413.db2.gz IICPKCDIMUNDOM-UHFFFAOYSA-N 1 2 314.345 2.442 20 5 DEBDLO Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000429554877 405436225 /nfs/dbraw/zinc/43/62/25/405436225.db2.gz UQWWUUYBJBVIPZ-GFCCVEGCSA-N 1 2 315.333 2.236 20 5 DEBDLO CN(C)C(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000449464148 405574446 /nfs/dbraw/zinc/57/44/46/405574446.db2.gz XQSADRCGWZPLRO-UHFFFAOYSA-N 1 2 321.377 2.181 20 5 DEBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559150646 405722416 /nfs/dbraw/zinc/72/24/16/405722416.db2.gz YMRWJFJBYPDIGT-CQSZACIVSA-N 1 2 318.329 2.132 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])c2cscn2)cc1[N+](=O)[O-] ZINC000423264608 405741914 /nfs/dbraw/zinc/74/19/14/405741914.db2.gz AJGRBILLZBJFTG-NOZJJQNGSA-N 1 2 320.374 2.237 20 5 DEBDLO Cc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000459509546 405935751 /nfs/dbraw/zinc/93/57/51/405935751.db2.gz MZSJLLIJLWYRNV-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO COc1c(C(=O)Nc2cc(C)[nH+]cc2C)cccc1[N+](=O)[O-] ZINC000518459705 406141622 /nfs/dbraw/zinc/14/16/22/406141622.db2.gz KHJJRRKHAFJRNH-UHFFFAOYSA-N 1 2 301.302 2.289 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC(n2cc[nH+]c2)C1 ZINC000535734858 406232096 /nfs/dbraw/zinc/23/20/96/406232096.db2.gz RSFSWWMSWHOBDB-UHFFFAOYSA-N 1 2 323.312 2.037 20 5 DEBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ncn1 ZINC000525644618 406492318 /nfs/dbraw/zinc/49/23/18/406492318.db2.gz PHQKTEWOOZKRGA-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000551332067 406619667 /nfs/dbraw/zinc/61/96/67/406619667.db2.gz FBTZLVZZZIPVHP-NXEZZACHSA-N 1 2 300.305 2.466 20 5 DEBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000551332067 406619670 /nfs/dbraw/zinc/61/96/70/406619670.db2.gz FBTZLVZZZIPVHP-NXEZZACHSA-N 1 2 300.305 2.466 20 5 DEBDLO CCO[C@@H]1C[C@H]1[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552055257 406679271 /nfs/dbraw/zinc/67/92/71/406679271.db2.gz GDWBVFYBEOCHKI-RBSFLKMASA-N 1 2 316.361 2.185 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CO)ccc1Br ZINC000132180280 196233314 /nfs/dbraw/zinc/23/33/14/196233314.db2.gz NIMDPEZGEKYUQL-SNVBAGLBSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CO)ccc1Br ZINC000132180280 196233316 /nfs/dbraw/zinc/23/33/16/196233316.db2.gz NIMDPEZGEKYUQL-SNVBAGLBSA-N 1 2 315.167 2.314 20 5 DEBDLO COC1(CO)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413263937 228298685 /nfs/dbraw/zinc/29/86/85/228298685.db2.gz LSCCMDCXESAFAJ-UHFFFAOYSA-N 1 2 317.345 2.121 20 5 DEBDLO CCn1cncc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000417738563 229083320 /nfs/dbraw/zinc/08/33/20/229083320.db2.gz XEBNQPZBGAWZNB-UHFFFAOYSA-N 1 2 315.377 2.133 20 5 DEBDLO CCn1c[nH+]cc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000417738563 229083323 /nfs/dbraw/zinc/08/33/23/229083323.db2.gz XEBNQPZBGAWZNB-UHFFFAOYSA-N 1 2 315.377 2.133 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CC(C)(C)OC1=O ZINC000495743799 269174043 /nfs/dbraw/zinc/17/40/43/269174043.db2.gz DYQYECBCQIGPDI-UHFFFAOYSA-N 1 2 307.350 2.257 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CC(C)(C)OC1=O ZINC000495743799 269174045 /nfs/dbraw/zinc/17/40/45/269174045.db2.gz DYQYECBCQIGPDI-UHFFFAOYSA-N 1 2 307.350 2.257 20 5 DEBDLO C[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284656849 274273460 /nfs/dbraw/zinc/27/34/60/274273460.db2.gz GGNBKHJDJBHFMA-MRVPVSSYSA-N 1 2 315.167 2.096 20 5 DEBDLO C[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284656849 274273461 /nfs/dbraw/zinc/27/34/61/274273461.db2.gz GGNBKHJDJBHFMA-MRVPVSSYSA-N 1 2 315.167 2.096 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375332789 275033403 /nfs/dbraw/zinc/03/34/03/275033403.db2.gz NLFNBQLCPAIFOA-GFCCVEGCSA-N 1 2 307.741 2.287 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375332789 275033405 /nfs/dbraw/zinc/03/34/05/275033405.db2.gz NLFNBQLCPAIFOA-GFCCVEGCSA-N 1 2 307.741 2.287 20 5 DEBDLO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000194335381 278341164 /nfs/dbraw/zinc/34/11/64/278341164.db2.gz VHQLKJRSLBZGLH-UHFFFAOYSA-N 1 2 321.377 2.293 20 5 DEBDLO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCCCC1 ZINC000123521557 281785883 /nfs/dbraw/zinc/78/58/83/281785883.db2.gz TZSQRNCYXMXLOA-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO Cc1nc(N2CC[NH+](Cc3ccsc3)CC2)ncc1[N+](=O)[O-] ZINC000574367525 326147170 /nfs/dbraw/zinc/14/71/70/326147170.db2.gz YYOXSUSXOXOIIT-UHFFFAOYSA-N 1 2 319.390 2.077 20 5 DEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCOCC4(CCC4)C3)nc2c1 ZINC000574886915 326196764 /nfs/dbraw/zinc/19/67/64/326196764.db2.gz XIXSEAJFMCQXBM-UHFFFAOYSA-N 1 2 316.361 2.474 20 5 DEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCOCC4(CCC4)C3)nc2c1 ZINC000574886915 326196767 /nfs/dbraw/zinc/19/67/67/326196767.db2.gz XIXSEAJFMCQXBM-UHFFFAOYSA-N 1 2 316.361 2.474 20 5 DEBDLO C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000153458814 524367712 /nfs/dbraw/zinc/36/77/12/524367712.db2.gz AYVPASFNYKEYIW-WXJAXGNASA-N 1 2 314.345 2.257 20 5 DEBDLO CC(=O)c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450793882 534823607 /nfs/dbraw/zinc/82/36/07/534823607.db2.gz QMMNMMJRRXFABZ-OKILXGFUSA-N 1 2 319.361 2.073 20 5 DEBDLO CC(=O)c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450793882 534823611 /nfs/dbraw/zinc/82/36/11/534823611.db2.gz QMMNMMJRRXFABZ-OKILXGFUSA-N 1 2 319.361 2.073 20 5 DEBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000358002839 536086195 /nfs/dbraw/zinc/08/61/95/536086195.db2.gz JFHZFLIKWGQLCR-UHFFFAOYSA-N 1 2 301.302 2.235 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000450835675 536118261 /nfs/dbraw/zinc/11/82/61/536118261.db2.gz XMJUOTLHXGVXFQ-SECBINFHSA-N 1 2 319.321 2.166 20 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/nfs/dbraw/zinc/77/07/63/636770763.db2.gz MCRDHCDNTTUGTE-GFCCVEGCSA-N 1 2 316.361 2.414 20 5 DEBDLO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339130287 636770766 /nfs/dbraw/zinc/77/07/66/636770766.db2.gz MCRDHCDNTTUGTE-GFCCVEGCSA-N 1 2 316.361 2.414 20 5 DEBDLO CC(C)[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000075666405 637062623 /nfs/dbraw/zinc/06/26/23/637062623.db2.gz FEUJMDYPKXCDKC-UHFFFAOYSA-N 1 2 303.318 2.021 20 5 DEBDLO CC(C)[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000075666405 637062626 /nfs/dbraw/zinc/06/26/26/637062626.db2.gz FEUJMDYPKXCDKC-UHFFFAOYSA-N 1 2 303.318 2.021 20 5 DEBDLO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC000895752447 638181202 /nfs/dbraw/zinc/18/12/02/638181202.db2.gz IXKVBFBIWTVUKX-OAHLLOKOSA-N 1 2 306.318 2.194 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747782918 638476978 /nfs/dbraw/zinc/47/69/78/638476978.db2.gz RJGIWGBTKAVJPO-UHFFFAOYSA-N 1 2 300.274 2.167 20 5 DEBDLO Cc1nn(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000758246381 639935986 /nfs/dbraw/zinc/93/59/86/639935986.db2.gz LGJRJNCCUDVPJM-UHFFFAOYSA-N 1 2 316.365 2.035 20 5 DEBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000763876574 640580244 /nfs/dbraw/zinc/58/02/44/640580244.db2.gz UZKNDWUYQJFARY-CYBMUJFWSA-N 1 2 316.785 2.466 20 5 DEBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000763876574 640580248 /nfs/dbraw/zinc/58/02/48/640580248.db2.gz UZKNDWUYQJFARY-CYBMUJFWSA-N 1 2 316.785 2.466 20 5 DEBDLO Cn1c[nH+]cc1CCCn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000902426512 643035268 /nfs/dbraw/zinc/03/52/68/643035268.db2.gz YQNVUVVAAOIADR-UHFFFAOYSA-N 1 2 312.329 2.276 20 5 DEBDLO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903338299 643318917 /nfs/dbraw/zinc/31/89/17/643318917.db2.gz POZKFFQDNIMUGL-JTQLQIEISA-N 1 2 320.349 2.196 20 5 DEBDLO C[N@H+](Cc1cscn1)Cc1cccc(NCC[N+](=O)[O-])c1 ZINC000905317708 643862219 /nfs/dbraw/zinc/86/22/19/643862219.db2.gz CJQINSQYFVKHBY-UHFFFAOYSA-N 1 2 306.391 2.464 20 5 DEBDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCC[N+](=O)[O-])c1 ZINC000905317708 643862223 /nfs/dbraw/zinc/86/22/23/643862223.db2.gz CJQINSQYFVKHBY-UHFFFAOYSA-N 1 2 306.391 2.464 20 5 DEBDLO CCC[NH+](CCC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794616823 644446310 /nfs/dbraw/zinc/44/63/10/644446310.db2.gz MBGYQOPWEQTCKG-UHFFFAOYSA-N 1 2 320.349 2.491 20 5 DEBDLO CSC[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635127 644449754 /nfs/dbraw/zinc/44/97/54/644449754.db2.gz TXNKVIIWHOJQPA-SNVBAGLBSA-N 1 2 323.374 2.288 20 5 DEBDLO CSC[C@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635127 644449758 /nfs/dbraw/zinc/44/97/58/644449758.db2.gz TXNKVIIWHOJQPA-SNVBAGLBSA-N 1 2 323.374 2.288 20 5 DEBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795557979 644596570 /nfs/dbraw/zinc/59/65/70/644596570.db2.gz YHAREIYKQPKGTF-LSDHHAIUSA-N 1 2 324.377 2.148 20 5 DEBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795557979 644596574 /nfs/dbraw/zinc/59/65/74/644596574.db2.gz YHAREIYKQPKGTF-LSDHHAIUSA-N 1 2 324.377 2.148 20 5 DEBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1F)n1cc[nH+]c1 ZINC000912614577 646119865 /nfs/dbraw/zinc/11/98/65/646119865.db2.gz BQHQMQOBRJNRHH-UHFFFAOYSA-N 1 2 306.297 2.096 20 5 DEBDLO O=C(Cc1[nH]cc[nH+]1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653758 646130743 /nfs/dbraw/zinc/13/07/43/646130743.db2.gz UQVSUPTUHWXHGY-UHFFFAOYSA-N 1 2 300.318 2.230 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824799538 648654179 /nfs/dbraw/zinc/65/41/79/648654179.db2.gz ORGVTTDSXOLFQX-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000833029608 649756338 /nfs/dbraw/zinc/75/63/38/649756338.db2.gz LKDYGQGBYQHGBT-AAEUAGOBSA-N 1 2 314.345 2.231 20 5 DEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844267789 651101354 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/nfs/dbraw/zinc/33/42/38/185334238.db2.gz OCDXZELSWIKFSU-KBPBESRZSA-N 1 2 303.362 2.146 20 5 DEBDLO Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000092703133 185334239 /nfs/dbraw/zinc/33/42/39/185334239.db2.gz OCDXZELSWIKFSU-KBPBESRZSA-N 1 2 303.362 2.146 20 5 DEBDLO CNC(=O)CCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413210700 529853159 /nfs/dbraw/zinc/85/31/59/529853159.db2.gz WPQRHYPADGECQG-UHFFFAOYSA-N 1 2 302.334 2.105 20 5 DEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000302153216 530027926 /nfs/dbraw/zinc/02/79/26/530027926.db2.gz LJHPURRDHGFMFG-UHFFFAOYSA-N 1 2 324.344 2.266 20 5 DEBDLO O=[N+]([O-])c1cc2c(ncnc2NCCCn2cc[nH+]c2)s1 ZINC000287019054 219272290 /nfs/dbraw/zinc/27/22/90/219272290.db2.gz QAMFCWRMWBHKAN-UHFFFAOYSA-N 1 2 304.335 2.298 20 5 DEBDLO C[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000255199363 282623157 /nfs/dbraw/zinc/62/31/57/282623157.db2.gz GUZDORVYDPJVKQ-FMFIFOJESA-N 1 2 314.345 2.257 20 5 DEBDLO C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000255317323 282628848 /nfs/dbraw/zinc/62/88/48/282628848.db2.gz MFZNEDXFZGUGBX-CFHLNLSMSA-N 1 2 314.345 2.257 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000042532370 354199060 /nfs/dbraw/zinc/19/90/60/354199060.db2.gz WNBHOAGVXPLCLX-JTQLQIEISA-N 1 2 320.374 2.332 20 5 DEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554121 355093117 /nfs/dbraw/zinc/09/31/17/355093117.db2.gz SMDPHNOYAQJPEZ-NSHDSACASA-N 1 2 300.318 2.338 20 5 DEBDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000076402041 355147308 /nfs/dbraw/zinc/14/73/08/355147308.db2.gz RHQOMORIEAIJRB-ZDUSSCGKSA-N 1 2 321.377 2.343 20 5 DEBDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000076402041 355147312 /nfs/dbraw/zinc/14/73/12/355147312.db2.gz RHQOMORIEAIJRB-ZDUSSCGKSA-N 1 2 321.377 2.343 20 5 DEBDLO Cc1ccc[nH+]c1CCc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000351135693 356620538 /nfs/dbraw/zinc/62/05/38/356620538.db2.gz ZUELYJZVYOPFTR-UHFFFAOYSA-N 1 2 313.317 2.472 20 5 DEBDLO CCOc1cc(C[N@H+](C)CC(=O)N(CC)CC)ccc1[N+](=O)[O-] ZINC000276890648 213157873 /nfs/dbraw/zinc/15/78/73/213157873.db2.gz KEVXBXMVSAYVJV-UHFFFAOYSA-N 1 2 323.393 2.294 20 5 DEBDLO CCOc1cc(C[N@@H+](C)CC(=O)N(CC)CC)ccc1[N+](=O)[O-] ZINC000276890648 213157875 /nfs/dbraw/zinc/15/78/75/213157875.db2.gz KEVXBXMVSAYVJV-UHFFFAOYSA-N 1 2 323.393 2.294 20 5 DEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000588070242 357392142 /nfs/dbraw/zinc/39/21/42/357392142.db2.gz VNUHZSDNBRREGO-NWDGAFQWSA-N 1 2 309.341 2.033 20 5 DEBDLO O=[N+]([O-])c1cncc(Cl)c1NCCc1cn2ccccc2[nH+]1 ZINC000589103720 357443050 /nfs/dbraw/zinc/44/30/50/357443050.db2.gz UTVCFEPMGVQRIH-UHFFFAOYSA-N 1 2 317.736 2.367 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000590053034 357515121 /nfs/dbraw/zinc/51/51/21/357515121.db2.gz UKFFJQBVYKOMPC-ZOHQOTHLSA-N 1 2 318.373 2.488 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000590053034 357515125 /nfs/dbraw/zinc/51/51/25/357515125.db2.gz UKFFJQBVYKOMPC-ZOHQOTHLSA-N 1 2 318.373 2.488 20 5 DEBDLO O=C1NCCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591183998 357686987 /nfs/dbraw/zinc/68/69/87/357686987.db2.gz WWFPMXOIFVKMAT-NSHDSACASA-N 1 2 300.318 2.081 20 5 DEBDLO O=C(NCC1CC=CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600231032 540264038 /nfs/dbraw/zinc/26/40/38/540264038.db2.gz ZMARIMYAKQBSIG-UHFFFAOYSA-N 1 2 312.329 2.477 20 5 DEBDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595011266 358377616 /nfs/dbraw/zinc/37/76/16/358377616.db2.gz KZBSYSASSVIIBU-JTQLQIEISA-N 1 2 305.338 2.066 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000595042185 358382315 /nfs/dbraw/zinc/38/23/15/358382315.db2.gz QIKKNRQTEAXOAI-VIFPVBQESA-N 1 2 317.349 2.450 20 5 DEBDLO CCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000595072432 358386735 /nfs/dbraw/zinc/38/67/35/358386735.db2.gz HLVIARUUJMDQNC-SNVBAGLBSA-N 1 2 305.338 2.066 20 5 DEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595287471 358412486 /nfs/dbraw/zinc/41/24/86/358412486.db2.gz IVOUVMXDUSONNR-IVMMDQJWSA-N 1 2 317.389 2.474 20 5 DEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595287471 358412488 /nfs/dbraw/zinc/41/24/88/358412488.db2.gz IVOUVMXDUSONNR-IVMMDQJWSA-N 1 2 317.389 2.474 20 5 DEBDLO CC(=O)c1ccc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596427328 358683948 /nfs/dbraw/zinc/68/39/48/358683948.db2.gz FQKDSDSYOYKREO-NEPJUHHUSA-N 1 2 321.377 2.319 20 5 DEBDLO CC(=O)c1ccc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596427328 358683952 /nfs/dbraw/zinc/68/39/52/358683952.db2.gz FQKDSDSYOYKREO-NEPJUHHUSA-N 1 2 321.377 2.319 20 5 DEBDLO CCc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598464335 359208088 /nfs/dbraw/zinc/20/80/88/359208088.db2.gz IGQXNIMQZGDOFI-JTQLQIEISA-N 1 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/nfs/dbraw/zinc/05/39/27/201053927.db2.gz UTPJXDIMJJXJAR-LLVKDONJSA-N 1 2 302.334 2.436 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000193452066 201053929 /nfs/dbraw/zinc/05/39/29/201053929.db2.gz UTPJXDIMJJXJAR-LLVKDONJSA-N 1 2 302.334 2.436 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585150 361427716 /nfs/dbraw/zinc/42/77/16/361427716.db2.gz CCJMGQDBKNMGNT-MJVIPROJSA-N 1 2 319.361 2.415 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585150 361427723 /nfs/dbraw/zinc/42/77/23/361427723.db2.gz CCJMGQDBKNMGNT-MJVIPROJSA-N 1 2 319.361 2.415 20 5 DEBDLO CCC(=O)c1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000619480732 363808775 /nfs/dbraw/zinc/80/87/75/363808775.db2.gz QMHJHSBVWWVTOM-UHFFFAOYSA-N 1 2 303.318 2.298 20 5 DEBDLO CC1(C)COCC[N@@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195263503 201369605 /nfs/dbraw/zinc/36/96/05/201369605.db2.gz HLWILUXIRFWLIG-UHFFFAOYSA-N 1 2 320.393 2.086 20 5 DEBDLO CC1(C)COCC[N@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195263503 201369607 /nfs/dbraw/zinc/36/96/07/201369607.db2.gz HLWILUXIRFWLIG-UHFFFAOYSA-N 1 2 320.393 2.086 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000456371907 247132385 /nfs/dbraw/zinc/13/23/85/247132385.db2.gz FAQLDGMJFVBSGZ-VIFPVBQESA-N 1 2 306.297 2.441 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493310155 249274556 /nfs/dbraw/zinc/27/45/56/249274556.db2.gz IMIGEJQVODJEHQ-ZJUUUORDSA-N 1 2 309.753 2.101 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493310155 249274559 /nfs/dbraw/zinc/27/45/59/249274559.db2.gz IMIGEJQVODJEHQ-ZJUUUORDSA-N 1 2 309.753 2.101 20 5 DEBDLO O=C(C=Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493753473 249385852 /nfs/dbraw/zinc/38/58/52/249385852.db2.gz KZKPRNWVGXHFGZ-KMSCOEIWSA-N 1 2 312.329 2.005 20 5 DEBDLO O=C(C=Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493753473 249385855 /nfs/dbraw/zinc/38/58/55/249385855.db2.gz KZKPRNWVGXHFGZ-KMSCOEIWSA-N 1 2 312.329 2.005 20 5 DEBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000113005040 194549693 /nfs/dbraw/zinc/54/96/93/194549693.db2.gz GKJBHAOCEDYMBK-NSHDSACASA-N 1 2 314.407 2.158 20 5 DEBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000113005040 194549695 /nfs/dbraw/zinc/54/96/95/194549695.db2.gz GKJBHAOCEDYMBK-NSHDSACASA-N 1 2 314.407 2.158 20 5 DEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000158794470 197301891 /nfs/dbraw/zinc/30/18/91/197301891.db2.gz IBIGRMORQCOPPO-LLVKDONJSA-N 1 2 302.277 2.153 20 5 DEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000158794470 197301892 /nfs/dbraw/zinc/30/18/92/197301892.db2.gz IBIGRMORQCOPPO-LLVKDONJSA-N 1 2 302.277 2.153 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCC3)CCC2 ZINC000278306038 285145270 /nfs/dbraw/zinc/14/52/70/285145270.db2.gz 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Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000353433480 404829563 /nfs/dbraw/zinc/82/95/63/404829563.db2.gz GLFBDTOHFFSWRR-GJZGRUSLSA-N 1 2 316.361 2.186 20 5 DEBDLO CC[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000353557729 404865700 /nfs/dbraw/zinc/86/57/00/404865700.db2.gz IHPNYKAHYMUTMG-LSDHHAIUSA-N 1 2 318.377 2.432 20 5 DEBDLO CN(C)c1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000353586013 404872611 /nfs/dbraw/zinc/87/26/11/404872611.db2.gz BQRICNHBIWYIMU-UHFFFAOYSA-N 1 2 313.361 2.009 20 5 DEBDLO CN(C)c1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000353586013 404872615 /nfs/dbraw/zinc/87/26/15/404872615.db2.gz BQRICNHBIWYIMU-UHFFFAOYSA-N 1 2 313.361 2.009 20 5 DEBDLO CO[C@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353685880 404919420 /nfs/dbraw/zinc/91/94/20/404919420.db2.gz VNISZIDONRZFPI-RISCZKNCSA-N 1 2 304.350 2.042 20 5 DEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367251674 404981161 /nfs/dbraw/zinc/98/11/61/404981161.db2.gz HBXPCABBHSSKCP-LLVKDONJSA-N 1 2 319.296 2.017 20 5 DEBDLO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454280780 405321876 /nfs/dbraw/zinc/32/18/76/405321876.db2.gz RAGRDAPGLRUNDZ-PWSUYJOCSA-N 1 2 315.333 2.297 20 5 DEBDLO CC[N@@H+]1CCO[C@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)C1 ZINC000420479615 405356467 /nfs/dbraw/zinc/35/64/67/405356467.db2.gz GXIRTIINFFWKET-ZDUSSCGKSA-N 1 2 318.333 2.346 20 5 DEBDLO CC[N@H+]1CCO[C@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)C1 ZINC000420479615 405356469 /nfs/dbraw/zinc/35/64/69/405356469.db2.gz GXIRTIINFFWKET-ZDUSSCGKSA-N 1 2 318.333 2.346 20 5 DEBDLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)C1 ZINC000420479612 405356833 /nfs/dbraw/zinc/35/68/33/405356833.db2.gz GXIRTIINFFWKET-CYBMUJFWSA-N 1 2 318.333 2.346 20 5 DEBDLO CC[N@H+]1CCO[C@@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)C1 ZINC000420479612 405356835 /nfs/dbraw/zinc/35/68/35/405356835.db2.gz GXIRTIINFFWKET-CYBMUJFWSA-N 1 2 318.333 2.346 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456383558 405542779 /nfs/dbraw/zinc/54/27/79/405542779.db2.gz NLKMHYDLXJCZSI-BXKDBHETSA-N 1 2 316.317 2.236 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000431701750 405664829 /nfs/dbraw/zinc/66/48/29/405664829.db2.gz HWERZPFNWXUWAA-UHFFFAOYSA-N 1 2 320.280 2.459 20 5 DEBDLO C[NH+](C)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000457292026 405782575 /nfs/dbraw/zinc/78/25/75/405782575.db2.gz NUIDOAGJCILKJH-UHFFFAOYSA-N 1 2 312.376 2.427 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(c2nc(C)no2)C1 ZINC000459576378 405964721 /nfs/dbraw/zinc/96/47/21/405964721.db2.gz AZRGLBOAWUFNRK-UHFFFAOYSA-N 1 2 318.333 2.284 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491291104 406562508 /nfs/dbraw/zinc/56/25/08/406562508.db2.gz LRDSNGZRCNRQPV-MZBZXASESA-N 1 2 318.308 2.149 20 5 DEBDLO COC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000133854841 196340576 /nfs/dbraw/zinc/34/05/76/196340576.db2.gz BREUYZBGTWZYCY-UHFFFAOYSA-N 1 2 308.334 2.049 20 5 DEBDLO COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000291238409 222248296 /nfs/dbraw/zinc/24/82/96/222248296.db2.gz KZSWALNHGHFHAX-NSHDSACASA-N 1 2 316.304 2.053 20 5 DEBDLO COc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000291238409 222248300 /nfs/dbraw/zinc/24/83/00/222248300.db2.gz KZSWALNHGHFHAX-NSHDSACASA-N 1 2 316.304 2.053 20 5 DEBDLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000291284277 222286310 /nfs/dbraw/zinc/28/63/10/222286310.db2.gz NVDYOUNXSGOOAU-LLVKDONJSA-N 1 2 315.333 2.078 20 5 DEBDLO C[C@H]1C[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000530542822 421604735 /nfs/dbraw/zinc/60/47/35/421604735.db2.gz HNZBZZGDYBQZJE-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@H]1C[N@@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000530542822 421604739 /nfs/dbraw/zinc/60/47/39/421604739.db2.gz HNZBZZGDYBQZJE-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000530542821 421604938 /nfs/dbraw/zinc/60/49/38/421604938.db2.gz HNZBZZGDYBQZJE-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000530542821 421604939 /nfs/dbraw/zinc/60/49/39/421604939.db2.gz HNZBZZGDYBQZJE-GFCCVEGCSA-N 1 2 316.361 2.276 20 5 DEBDLO O=[N+]([O-])c1ccc(CO)c(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000600784271 422412569 /nfs/dbraw/zinc/41/25/69/422412569.db2.gz ZMEIPVUTAMAYEI-UHFFFAOYSA-N 1 2 317.345 2.334 20 5 DEBDLO O=[N+]([O-])c1ccc(CNc2ccc(-n3cncn3)c[nH+]2)c(F)c1 ZINC000616204790 422501898 /nfs/dbraw/zinc/50/18/98/422501898.db2.gz BDSRSJUXPDHGEK-UHFFFAOYSA-N 1 2 314.280 2.322 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(F)c1 ZINC000425515570 269117491 /nfs/dbraw/zinc/11/74/91/269117491.db2.gz RCFDERGUOBJJBV-SNVBAGLBSA-N 1 2 323.303 2.302 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(F)c1 ZINC000425515570 269117492 /nfs/dbraw/zinc/11/74/92/269117492.db2.gz RCFDERGUOBJJBV-SNVBAGLBSA-N 1 2 323.303 2.302 20 5 DEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000348246360 279049505 /nfs/dbraw/zinc/04/95/05/279049505.db2.gz LOULEWZGIBLDHV-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000348246360 279049506 /nfs/dbraw/zinc/04/95/06/279049506.db2.gz LOULEWZGIBLDHV-XHDPSFHLSA-N 1 2 310.325 2.114 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000296619714 280360532 /nfs/dbraw/zinc/36/05/32/280360532.db2.gz KTJLAAXNHKRAGJ-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)S1 ZINC000287344868 288315238 /nfs/dbraw/zinc/31/52/38/288315238.db2.gz PCXSXDGIOHDWQE-SNVBAGLBSA-N 1 2 324.381 2.347 20 5 DEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000286495812 297266780 /nfs/dbraw/zinc/26/67/80/297266780.db2.gz XSWMBQIUZBHRPB-VXGBXAGGSA-N 1 2 309.341 2.033 20 5 DEBDLO Cc1cc(C(=O)NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000007798883 524110285 /nfs/dbraw/zinc/11/02/85/524110285.db2.gz LZHGQKOFTYHHLJ-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC3CCS(=O)CC3)c2c1 ZINC000413218151 534885072 /nfs/dbraw/zinc/88/50/72/534885072.db2.gz HHDVHRXKTGBSOU-UHFFFAOYSA-N 1 2 305.359 2.466 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000413187168 534888742 /nfs/dbraw/zinc/88/87/42/534888742.db2.gz DEJFWVMERQCNFH-LBPRGKRZSA-N 1 2 304.281 2.182 20 5 DEBDLO CSc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000339147201 525969240 /nfs/dbraw/zinc/96/92/40/525969240.db2.gz ARWABASYMHRFQH-SNVBAGLBSA-N 1 2 320.374 2.332 20 5 DEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364269890 526984036 /nfs/dbraw/zinc/98/40/36/526984036.db2.gz HWQQAXOCZISIDI-CABCVRRESA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364269890 526984046 /nfs/dbraw/zinc/98/40/46/526984046.db2.gz HWQQAXOCZISIDI-CABCVRRESA-N 1 2 304.346 2.165 20 5 DEBDLO O=[N+]([O-])c1ccc(Cl)cc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001327503520 1148570952 /nfs/dbraw/zinc/57/09/52/1148570952.db2.gz LFJKOBWPNRHXBY-TXEJJXNPSA-N 1 2 312.753 2.490 20 5 DEBDLO O=[N+]([O-])c1ccc(Cl)cc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001327503520 1148570968 /nfs/dbraw/zinc/57/09/68/1148570968.db2.gz LFJKOBWPNRHXBY-TXEJJXNPSA-N 1 2 312.753 2.490 20 5 DEBDLO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)c1[nH]cc[nH+]1 ZINC000317118936 535800915 /nfs/dbraw/zinc/80/09/15/535800915.db2.gz FADZVDUVYVIHSZ-SNVBAGLBSA-N 1 2 304.306 2.208 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000456353935 536121779 /nfs/dbraw/zinc/12/17/79/536121779.db2.gz MZTDROXRASQZLC-NSHDSACASA-N 1 2 302.334 2.231 20 5 DEBDLO COc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456375809 536774922 /nfs/dbraw/zinc/77/49/22/536774922.db2.gz KDOWQATZUJRJAB-ONGXEEELSA-N 1 2 316.317 2.236 20 5 DEBDLO C[C@@H](O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235248056 625043914 /nfs/dbraw/zinc/04/39/14/625043914.db2.gz OFUOHVYRLNCHIB-MRVPVSSYSA-N 1 2 303.156 2.170 20 5 DEBDLO C[C@@H](O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235248056 625043924 /nfs/dbraw/zinc/04/39/24/625043924.db2.gz OFUOHVYRLNCHIB-MRVPVSSYSA-N 1 2 303.156 2.170 20 5 DEBDLO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)CC1 ZINC001025799437 625772986 /nfs/dbraw/zinc/77/29/86/625772986.db2.gz IAISQZYLQSCLBZ-PJXYFTJBSA-N 1 2 321.402 2.003 20 5 DEBDLO CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)CC1 ZINC001025799437 625772993 /nfs/dbraw/zinc/77/29/93/625772993.db2.gz IAISQZYLQSCLBZ-PJXYFTJBSA-N 1 2 321.402 2.003 20 5 DEBDLO COc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000745079399 625840237 /nfs/dbraw/zinc/84/02/37/625840237.db2.gz KMFJJASWVZCPRO-GFCCVEGCSA-N 1 2 308.334 2.131 20 5 DEBDLO COc1ccc(COC(=O)[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000745079399 625840243 /nfs/dbraw/zinc/84/02/43/625840243.db2.gz KMFJJASWVZCPRO-GFCCVEGCSA-N 1 2 308.334 2.131 20 5 DEBDLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029178223 637305850 /nfs/dbraw/zinc/30/58/50/637305850.db2.gz FCNFPZUMHRVLIW-OKILXGFUSA-N 1 2 303.362 2.180 20 5 DEBDLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029178223 637305853 /nfs/dbraw/zinc/30/58/53/637305853.db2.gz FCNFPZUMHRVLIW-OKILXGFUSA-N 1 2 303.362 2.180 20 5 DEBDLO COc1cc(C(=O)OCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000838053196 637427848 /nfs/dbraw/zinc/42/78/48/637427848.db2.gz HFDWNAQCESCJME-UHFFFAOYSA-N 1 2 323.280 2.186 20 5 DEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000895802143 638205397 /nfs/dbraw/zinc/20/53/97/638205397.db2.gz YXIGNSFNOGODTM-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C3([NH+](C)C)CC3)n2)c1 ZINC000896241938 638431523 /nfs/dbraw/zinc/43/15/23/638431523.db2.gz ALVCEMZQDZPUEV-UHFFFAOYSA-N 1 2 318.333 2.128 20 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COc1ccc2c(c1)C[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595294852 358414949 /nfs/dbraw/zinc/41/49/49/358414949.db2.gz RTSCJXPTAIBHMW-UHFFFAOYSA-N 1 2 303.318 2.458 20 5 DEBDLO NC(=O)c1ccc(C[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000036647723 283376408 /nfs/dbraw/zinc/37/64/08/283376408.db2.gz NQGSKYOIOSREKJ-UHFFFAOYSA-N 1 2 317.370 2.314 20 5 DEBDLO NC(=O)c1ccc(C[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000036647723 283376412 /nfs/dbraw/zinc/37/64/12/283376412.db2.gz NQGSKYOIOSREKJ-UHFFFAOYSA-N 1 2 317.370 2.314 20 5 DEBDLO Cc1c(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000596630301 358728012 /nfs/dbraw/zinc/72/80/12/358728012.db2.gz JNTYFARIDOCZRQ-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO COc1cccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185361221 199843721 /nfs/dbraw/zinc/84/37/21/199843721.db2.gz RITNRLOIVCUDTG-NWDGAFQWSA-N 1 2 309.366 2.125 20 5 DEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000598332902 359165910 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20 5 DEBDLO CCC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675851 643261281 /nfs/dbraw/zinc/26/12/81/643261281.db2.gz NHZNPNUJJNPKHS-JTQLQIEISA-N 1 2 317.301 2.305 20 5 DEBDLO CCN1CCC[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000903389446 643339201 /nfs/dbraw/zinc/33/92/01/643339201.db2.gz VLSOHSJBCGKTMN-JQWIXIFHSA-N 1 2 309.341 2.395 20 5 DEBDLO Cc1c(C[N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000790418883 643850625 /nfs/dbraw/zinc/85/06/25/643850625.db2.gz ZOWZRSSDZUGVGU-UHFFFAOYSA-N 1 2 314.349 2.076 20 5 DEBDLO Cc1c(C[N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000790418883 643850630 /nfs/dbraw/zinc/85/06/30/643850630.db2.gz ZOWZRSSDZUGVGU-UHFFFAOYSA-N 1 2 314.349 2.076 20 5 DEBDLO COC(=O)[C@@H](C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000792348083 644107098 /nfs/dbraw/zinc/10/70/98/644107098.db2.gz MQRTVURRKZWADA-IAQYHMDHSA-N 1 2 322.361 2.044 20 5 DEBDLO COC(=O)[C@@H](C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000792348083 644107100 /nfs/dbraw/zinc/10/71/00/644107100.db2.gz MQRTVURRKZWADA-IAQYHMDHSA-N 1 2 322.361 2.044 20 5 DEBDLO Cc1nn(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000793749741 644296875 /nfs/dbraw/zinc/29/68/75/644296875.db2.gz VLWKNLZTPSQBNJ-CQSZACIVSA-N 1 2 308.382 2.114 20 5 DEBDLO Cc1nn(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000793749741 644296880 /nfs/dbraw/zinc/29/68/80/644296880.db2.gz VLWKNLZTPSQBNJ-CQSZACIVSA-N 1 2 308.382 2.114 20 5 DEBDLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794621726 644447368 /nfs/dbraw/zinc/44/73/68/644447368.db2.gz XWJNGKPDPYGTGM-NSHDSACASA-N 1 2 320.349 2.345 20 5 DEBDLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794621726 644447372 /nfs/dbraw/zinc/44/73/72/644447372.db2.gz XWJNGKPDPYGTGM-NSHDSACASA-N 1 2 320.349 2.345 20 5 DEBDLO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCS1 ZINC000794644803 644451925 /nfs/dbraw/zinc/45/19/25/644451925.db2.gz KWSVKZLKTFNIMK-SNVBAGLBSA-N 1 2 323.374 2.288 20 5 DEBDLO C[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCS1 ZINC000794644803 644451929 /nfs/dbraw/zinc/45/19/29/644451929.db2.gz KWSVKZLKTFNIMK-SNVBAGLBSA-N 1 2 323.374 2.288 20 5 DEBDLO COc1c(C(=O)OCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000796311456 644716500 /nfs/dbraw/zinc/71/65/00/644716500.db2.gz WDBUGSZCKQSNPL-UHFFFAOYSA-N 1 2 305.290 2.047 20 5 DEBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801544787 645411832 /nfs/dbraw/zinc/41/18/32/645411832.db2.gz UPUMXQJHCJVRBB-SNVBAGLBSA-N 1 2 311.357 2.469 20 5 DEBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801544787 645411836 /nfs/dbraw/zinc/41/18/36/645411836.db2.gz UPUMXQJHCJVRBB-SNVBAGLBSA-N 1 2 311.357 2.469 20 5 DEBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000802237333 645506284 /nfs/dbraw/zinc/50/62/84/645506284.db2.gz CWSXPHKCPYANOB-NSHDSACASA-N 1 2 321.308 2.277 20 5 DEBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000802237333 645506286 /nfs/dbraw/zinc/50/62/86/645506286.db2.gz CWSXPHKCPYANOB-NSHDSACASA-N 1 2 321.308 2.277 20 5 DEBDLO CNc1c(C(=O)OCCCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000802783319 645557368 /nfs/dbraw/zinc/55/73/68/645557368.db2.gz NHOQESCCDGJCOX-UHFFFAOYSA-N 1 2 318.333 2.160 20 5 DEBDLO CC(C)(CNC(=O)c1c(F)cccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000912615083 646120904 /nfs/dbraw/zinc/12/09/04/646120904.db2.gz VHOZNTBFQRHCDY-UHFFFAOYSA-N 1 2 306.297 2.096 20 5 DEBDLO CO[C@H]1C[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000809107193 646183950 /nfs/dbraw/zinc/18/39/50/646183950.db2.gz IVPRIWNZEVETHT-TXEJJXNPSA-N 1 2 317.301 2.115 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(C)c1Cl ZINC000815123392 646974685 /nfs/dbraw/zinc/97/46/85/646974685.db2.gz FJZZZOSCGFOBJL-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c(N)c([N+](=O)[O-])c1 ZINC000817619186 647330585 /nfs/dbraw/zinc/33/05/85/647330585.db2.gz NGXVORAJSQXENC-UHFFFAOYSA-N 1 2 314.345 2.427 20 5 DEBDLO COc1ccc(COC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000845282791 651227590 /nfs/dbraw/zinc/22/75/90/651227590.db2.gz YUJQLJOSLOEQJL-NSHDSACASA-N 1 2 319.317 2.494 20 5 DEBDLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000847059525 651372627 /nfs/dbraw/zinc/37/26/27/651372627.db2.gz WINIGBNEBHVVPM-TVQRCGJNSA-N 1 2 306.322 2.013 20 5 DEBDLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000847059525 651372629 /nfs/dbraw/zinc/37/26/29/651372629.db2.gz WINIGBNEBHVVPM-TVQRCGJNSA-N 1 2 306.322 2.013 20 5 DEBDLO Cc1cc(Cl)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000857884444 652196023 /nfs/dbraw/zinc/19/60/23/652196023.db2.gz BRYAPWXFVPBPTQ-VIFPVBQESA-N 1 2 320.736 2.108 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857989625 652232535 /nfs/dbraw/zinc/23/25/35/652232535.db2.gz RPAAWEHGUVJBJB-NSHDSACASA-N 1 2 318.358 2.388 20 5 DEBDLO C[C@@H]1CN(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000851869346 652266252 /nfs/dbraw/zinc/26/62/52/652266252.db2.gz DQMAZEWHRLDKEO-OKILXGFUSA-N 1 2 319.405 2.062 20 5 DEBDLO C[C@@H]1CN(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000851869346 652266257 /nfs/dbraw/zinc/26/62/57/652266257.db2.gz DQMAZEWHRLDKEO-OKILXGFUSA-N 1 2 319.405 2.062 20 5 DEBDLO COC(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000852571290 652422964 /nfs/dbraw/zinc/42/29/64/652422964.db2.gz NJGPOEAEBBRJGQ-UHFFFAOYSA-N 1 2 315.757 2.378 20 5 DEBDLO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000852571290 652422965 /nfs/dbraw/zinc/42/29/65/652422965.db2.gz NJGPOEAEBBRJGQ-UHFFFAOYSA-N 1 2 315.757 2.378 20 5 DEBDLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000119796170 684087298 /nfs/dbraw/zinc/08/72/98/684087298.db2.gz GYOOEVFRXTYZQQ-CQSZACIVSA-N 1 2 315.377 2.479 20 5 DEBDLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000119796170 684087300 /nfs/dbraw/zinc/08/73/00/684087300.db2.gz GYOOEVFRXTYZQQ-CQSZACIVSA-N 1 2 315.377 2.479 20 5 DEBDLO CC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929513996 693971097 /nfs/dbraw/zinc/97/10/97/693971097.db2.gz OPFAWWRJOWWMBV-UHFFFAOYSA-N 1 2 303.156 2.172 20 5 DEBDLO CC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929513996 693971101 /nfs/dbraw/zinc/97/11/01/693971101.db2.gz OPFAWWRJOWWMBV-UHFFFAOYSA-N 1 2 303.156 2.172 20 5 DEBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930124975 694095495 /nfs/dbraw/zinc/09/54/95/694095495.db2.gz LPTWVXICHYTTIC-RKDXNWHRSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930124975 694095499 /nfs/dbraw/zinc/09/54/99/694095499.db2.gz LPTWVXICHYTTIC-RKDXNWHRSA-N 1 2 315.167 2.312 20 5 DEBDLO O=[N+]([O-])c1cc(CO)c(N2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000865595766 687271315 /nfs/dbraw/zinc/27/13/15/687271315.db2.gz FWPMAEODLMUZSW-UHFFFAOYSA-N 1 2 320.324 2.333 20 5 DEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000878794505 690501221 /nfs/dbraw/zinc/50/12/21/690501221.db2.gz BZZJHVHDRVDPKY-CYBMUJFWSA-N 1 2 312.753 2.163 20 5 DEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC=C(Cl)C2)c1 ZINC000878794505 690501223 /nfs/dbraw/zinc/50/12/23/690501223.db2.gz BZZJHVHDRVDPKY-CYBMUJFWSA-N 1 2 312.753 2.163 20 5 DEBDLO C[C@@](CO)([NH2+]Cc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000879270813 690607351 /nfs/dbraw/zinc/60/73/51/690607351.db2.gz BCGKZLUMOSUGGE-HNNXBMFYSA-N 1 2 305.309 2.126 20 5 DEBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886201881 692022359 /nfs/dbraw/zinc/02/23/59/692022359.db2.gz VDRXVGCXVFNKCV-ZDUSSCGKSA-N 1 2 322.365 2.090 20 5 DEBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886201881 692022360 /nfs/dbraw/zinc/02/23/60/692022360.db2.gz VDRXVGCXVFNKCV-ZDUSSCGKSA-N 1 2 322.365 2.090 20 5 DEBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000932061638 694539494 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305.290 2.177 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447280922 1184703708 /nfs/dbraw/zinc/70/37/08/1184703708.db2.gz AEMFISBHIANGHA-MRVPVSSYSA-N 1 2 314.305 2.012 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447280922 1184703714 /nfs/dbraw/zinc/70/37/14/1184703714.db2.gz AEMFISBHIANGHA-MRVPVSSYSA-N 1 2 314.305 2.012 20 5 DEBDLO COc1cnc(NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC001169002951 784999006 /nfs/dbraw/zinc/99/90/06/784999006.db2.gz UYCXHQKVLPLDQQ-UHFFFAOYSA-N 1 2 313.317 2.301 20 5 DEBDLO O=[N+]([O-])c1cc(NCCc2cn3ccccc3[nH+]2)cnc1F ZINC001169008410 785002500 /nfs/dbraw/zinc/00/25/00/785002500.db2.gz CMQWLKYUJJGPES-UHFFFAOYSA-N 1 2 301.281 2.431 20 5 DEBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169651912 785284058 /nfs/dbraw/zinc/28/40/58/785284058.db2.gz BKLKTDTXKBEHMH-NSHDSACASA-N 1 2 320.324 2.025 20 5 DEBDLO C[N@H+]1CCOC[C@@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169651912 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ZINC000187009651 200047316 /nfs/dbraw/zinc/04/73/16/200047316.db2.gz YLHSBJVJEVRZLA-UHFFFAOYSA-N 1 2 319.361 2.418 20 5 DEBDLO CCOC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000600201499 359686928 /nfs/dbraw/zinc/68/69/28/359686928.db2.gz OWLVTWTVOIVPFT-ZQMJAJRESA-N 1 2 306.362 2.345 20 5 DEBDLO CCOC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000600201499 359686934 /nfs/dbraw/zinc/68/69/34/359686934.db2.gz OWLVTWTVOIVPFT-ZQMJAJRESA-N 1 2 306.362 2.345 20 5 DEBDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000188678904 200287091 /nfs/dbraw/zinc/28/70/91/200287091.db2.gz QATMDNOZTRYFOQ-LLVKDONJSA-N 1 2 302.334 2.138 20 5 DEBDLO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000189269220 200373631 /nfs/dbraw/zinc/37/36/31/200373631.db2.gz XNTGTQGCWCVROL-UHFFFAOYSA-N 1 2 309.366 2.104 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000602764551 360541388 /nfs/dbraw/zinc/54/13/88/360541388.db2.gz ZFSUADVQWGRCHT-OAHLLOKOSA-N 1 2 316.361 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DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000043149860 183341559 /nfs/dbraw/zinc/34/15/59/183341559.db2.gz DXBADNQWGVLIMG-UHFFFAOYSA-N 1 2 303.322 2.312 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCCC1=O ZINC000538730682 285053521 /nfs/dbraw/zinc/05/35/21/285053521.db2.gz FOBDSJBSJITULI-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCCC1=O ZINC000538730682 285053524 /nfs/dbraw/zinc/05/35/24/285053524.db2.gz FOBDSJBSJITULI-UHFFFAOYSA-N 1 2 321.377 2.048 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1c[nH+]cn1C ZINC000543409480 285284472 /nfs/dbraw/zinc/28/44/72/285284472.db2.gz SMSFXEGPQKFKRO-UHFFFAOYSA-N 1 2 316.361 2.226 20 5 DEBDLO COCC[N@H+](Cc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355807300 133049554 /nfs/dbraw/zinc/04/95/54/133049554.db2.gz YXQXURZCVXPIBY-UHFFFAOYSA-N 1 2 310.379 2.038 20 5 DEBDLO COCC[N@@H+](Cc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355807300 133049555 /nfs/dbraw/zinc/04/95/55/133049555.db2.gz 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Cc1cc(N[C@@H]2CO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000564905289 292119824 /nfs/dbraw/zinc/11/98/24/292119824.db2.gz JXAUMUJAANRKTE-AAEUAGOBSA-N 1 2 314.345 2.371 20 5 DEBDLO Cc1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000348832374 146316835 /nfs/dbraw/zinc/31/68/35/146316835.db2.gz FYYYHJCBHXHKDJ-UHFFFAOYSA-N 1 2 300.318 2.084 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349237254 146360997 /nfs/dbraw/zinc/36/09/97/146360997.db2.gz FAXZGCHXBKEWNV-SNVBAGLBSA-N 1 2 304.306 2.181 20 5 DEBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccon1 ZINC000349250195 146362938 /nfs/dbraw/zinc/36/29/38/146362938.db2.gz YKCPSXUDRNBFHO-HZMBPMFUSA-N 1 2 316.317 2.039 20 5 DEBDLO Cc1c([C@@H](C)[NH2+]Cc2nnnn2CC2CC2)cccc1[N+](=O)[O-] ZINC000349355052 146371263 /nfs/dbraw/zinc/37/12/63/146371263.db2.gz NMJYKNILRWZXAX-LLVKDONJSA-N 1 2 316.365 2.151 20 5 DEBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1n1cc[nH+]c1 ZINC000126436542 401694308 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CCC[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093771397 402020275 /nfs/dbraw/zinc/02/02/75/402020275.db2.gz VOTZDPLBQPLJMN-SBJJXXPASA-N 1 2 303.362 2.209 20 5 DEBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000122620530 402087932 /nfs/dbraw/zinc/08/79/32/402087932.db2.gz YIQKLIJALKDENP-UHFFFAOYSA-N 1 2 320.324 2.022 20 5 DEBDLO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCCCC1 ZINC000123521770 402132379 /nfs/dbraw/zinc/13/23/79/402132379.db2.gz TZSQRNCYXMXLOA-GFCCVEGCSA-N 1 2 321.377 2.295 20 5 DEBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])o3)cn21 ZINC000068570428 402202810 /nfs/dbraw/zinc/20/28/10/402202810.db2.gz CYPUCNILVGLZRN-UHFFFAOYSA-N 1 2 300.274 2.074 20 5 DEBDLO Cc1nn(CCC(=O)Nc2cc[nH+]c(C)c2)c(C)c1[N+](=O)[O-] ZINC000069370439 402220609 /nfs/dbraw/zinc/22/06/09/402220609.db2.gz ZVQAQZOTLPBWBG-UHFFFAOYSA-N 1 2 303.322 2.140 20 5 DEBDLO Cn1cc[nH+]c1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000071274344 402272062 /nfs/dbraw/zinc/27/20/62/402272062.db2.gz 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319.405 2.371 20 5 DEBDLO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCC1 ZINC000436947553 405166522 /nfs/dbraw/zinc/16/65/22/405166522.db2.gz YZYCVLDCSQSGTK-UHFFFAOYSA-N 1 2 321.377 2.295 20 5 DEBDLO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1C ZINC000436984385 405173831 /nfs/dbraw/zinc/17/38/31/405173831.db2.gz AWIIABYMWSUARL-NEPJUHHUSA-N 1 2 321.377 2.245 20 5 DEBDLO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1C ZINC000436984385 405173839 /nfs/dbraw/zinc/17/38/39/405173839.db2.gz AWIIABYMWSUARL-NEPJUHHUSA-N 1 2 321.377 2.245 20 5 DEBDLO CC(C)Cn1cc[nH+]c1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439153560 405268487 /nfs/dbraw/zinc/26/84/87/405268487.db2.gz KIZFTQNNISIDKN-UHFFFAOYSA-N 1 2 317.349 2.158 20 5 DEBDLO Cc1cc(C)c(CNC(=O)COc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000456843129 405587685 /nfs/dbraw/zinc/58/76/85/405587685.db2.gz GUWYUQSIDZJSPW-UHFFFAOYSA-N 1 2 315.329 2.302 20 5 DEBDLO CNc1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000559045007 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20 5 DEBDLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000551332069 406619272 /nfs/dbraw/zinc/61/92/72/406619272.db2.gz FBTZLVZZZIPVHP-VHSXEESVSA-N 1 2 300.305 2.466 20 5 DEBDLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000551332069 406619276 /nfs/dbraw/zinc/61/92/76/406619276.db2.gz FBTZLVZZZIPVHP-VHSXEESVSA-N 1 2 300.305 2.466 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459779286 287052315 /nfs/dbraw/zinc/05/23/15/287052315.db2.gz FNJIWFAEOURASO-WDEREUQCSA-N 1 2 317.349 2.006 20 5 DEBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000413196480 228289324 /nfs/dbraw/zinc/28/93/24/228289324.db2.gz DZLWHXKHQSLNMV-SNVBAGLBSA-N 1 2 303.297 2.215 20 5 DEBDLO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CCc2ccccc2)nc1 ZINC000302146866 230125346 /nfs/dbraw/zinc/12/53/46/230125346.db2.gz IIEDMYRVDRCPPJ-UHFFFAOYSA-N 1 2 324.344 2.436 20 5 DEBDLO O=C1OCCN1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000496868113 421329362 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NC(=O)C[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413184425 534360664 /nfs/dbraw/zinc/36/06/64/534360664.db2.gz NZGHKVOPSRIPHN-LLVKDONJSA-N 1 2 314.345 2.235 20 5 DEBDLO CCOC(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000158372285 520951085 /nfs/dbraw/zinc/95/10/85/520951085.db2.gz FVFIXLGEBQMOAA-FNORWQNLSA-N 1 2 319.361 2.382 20 5 DEBDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000248949573 523576858 /nfs/dbraw/zinc/57/68/58/523576858.db2.gz PKTRWEZHNATHFC-MLGOLLRUSA-N 1 2 321.377 2.423 20 5 DEBDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000248949573 523576865 /nfs/dbraw/zinc/57/68/65/523576865.db2.gz PKTRWEZHNATHFC-MLGOLLRUSA-N 1 2 321.377 2.423 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000366298996 526061952 /nfs/dbraw/zinc/06/19/52/526061952.db2.gz LITYEIDHIKYMCF-UHFFFAOYSA-N 1 2 310.317 2.491 20 5 DEBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188918950 528581368 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COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000892908883 625708554 /nfs/dbraw/zinc/70/85/54/625708554.db2.gz IJRQWRWOMJUIIG-DGCLKSJQSA-N 1 2 317.349 2.282 20 5 DEBDLO COc1c(O)ccc(C[NH2+]Cc2nc(C)cs2)c1[N+](=O)[O-] ZINC000892533204 625110748 /nfs/dbraw/zinc/11/07/48/625110748.db2.gz HQKOPKRGXNJLJP-UHFFFAOYSA-N 1 2 309.347 2.364 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922962775 636887785 /nfs/dbraw/zinc/88/77/85/636887785.db2.gz RQOYZWMHVBIIOG-UHFFFAOYSA-N 1 2 305.359 2.414 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(NCc2nc(C[NH+](C)C)cs2)n1 ZINC000895484598 638054005 /nfs/dbraw/zinc/05/40/05/638054005.db2.gz OVPDAISKCXMKPX-UHFFFAOYSA-N 1 2 307.379 2.428 20 5 DEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000747526447 638447145 /nfs/dbraw/zinc/44/71/45/638447145.db2.gz RHZKLNQELLGGJJ-UHFFFAOYSA-N 1 2 316.273 2.189 20 5 DEBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])c(CO)c2)cc[nH+]1 ZINC000757987981 639904467 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C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000842615254 650782635 /nfs/dbraw/zinc/78/26/35/650782635.db2.gz NCWLBEZCAAVSKU-VXGBXAGGSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000842615254 650782639 /nfs/dbraw/zinc/78/26/39/650782639.db2.gz NCWLBEZCAAVSKU-VXGBXAGGSA-N 1 2 324.381 2.049 20 5 DEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCSCC1 ZINC000807972369 646014321 /nfs/dbraw/zinc/01/43/21/646014321.db2.gz PYYWKPNIZHGADP-UHFFFAOYSA-N 1 2 309.391 2.258 20 5 DEBDLO C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC(C)(C)C1 ZINC000840167403 646212978 /nfs/dbraw/zinc/21/29/78/646212978.db2.gz UGMRULITVRSTNN-UHFFFAOYSA-N 1 2 317.345 2.269 20 5 DEBDLO C[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC(C)(C)C1 ZINC000840167403 646212984 /nfs/dbraw/zinc/21/29/84/646212984.db2.gz UGMRULITVRSTNN-UHFFFAOYSA-N 1 2 317.345 2.269 20 5 DEBDLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)O1 ZINC000924004124 647422885 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315.167 2.312 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000825103057 648703602 /nfs/dbraw/zinc/70/36/02/648703602.db2.gz BSAYEVXJCZWRGQ-PRHODGIISA-N 1 2 315.167 2.312 20 5 DEBDLO CC(C)CC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000828615751 649202899 /nfs/dbraw/zinc/20/28/99/649202899.db2.gz RQKBGFBKCHEKCT-UHFFFAOYSA-N 1 2 320.393 2.117 20 5 DEBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC=CCC1 ZINC000848483347 651462084 /nfs/dbraw/zinc/46/20/84/651462084.db2.gz CXQGGGAYFDHCIU-HNNXBMFYSA-N 1 2 301.346 2.130 20 5 DEBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC=CCC1 ZINC000848483347 651462086 /nfs/dbraw/zinc/46/20/86/651462086.db2.gz CXQGGGAYFDHCIU-HNNXBMFYSA-N 1 2 301.346 2.130 20 5 DEBDLO Cc1cc(F)cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857986133 652230145 /nfs/dbraw/zinc/23/01/45/652230145.db2.gz MIFKGTDYKASUQO-NSHDSACASA-N 1 2 304.281 2.114 20 5 DEBDLO CCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857990812 652232678 /nfs/dbraw/zinc/23/26/78/652232678.db2.gz AGUFVXKRPJUAOZ-LLVKDONJSA-N 1 2 316.317 2.065 20 5 DEBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852113265 652343782 /nfs/dbraw/zinc/34/37/82/652343782.db2.gz YGYLVFGDOGFYBY-GFCCVEGCSA-N 1 2 311.313 2.006 20 5 DEBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852113265 652343789 /nfs/dbraw/zinc/34/37/89/652343789.db2.gz YGYLVFGDOGFYBY-GFCCVEGCSA-N 1 2 311.313 2.006 20 5 DEBDLO COC(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000852769593 652453826 /nfs/dbraw/zinc/45/38/26/652453826.db2.gz YBGNIDWEHWZNSR-UHFFFAOYSA-N 1 2 311.313 2.054 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000853592886 652575519 /nfs/dbraw/zinc/57/55/19/652575519.db2.gz AAHPZZCWBGKZLR-CQSZACIVSA-N 1 2 302.334 2.211 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000853592886 652575521 /nfs/dbraw/zinc/57/55/21/652575521.db2.gz AAHPZZCWBGKZLR-CQSZACIVSA-N 1 2 302.334 2.211 20 5 DEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC2(CCC2)C1 ZINC000121919258 684111478 /nfs/dbraw/zinc/11/14/78/684111478.db2.gz UDMRYQKETPSHQZ-UHFFFAOYSA-N 1 2 315.329 2.024 20 5 DEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC2(CCC2)C1 ZINC000121919258 684111480 /nfs/dbraw/zinc/11/14/80/684111480.db2.gz UDMRYQKETPSHQZ-UHFFFAOYSA-N 1 2 315.329 2.024 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930652689 694210698 /nfs/dbraw/zinc/21/06/98/694210698.db2.gz MBTLGDZYPZDWNG-PRHODGIISA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930652689 694210701 /nfs/dbraw/zinc/21/07/01/694210701.db2.gz MBTLGDZYPZDWNG-PRHODGIISA-N 1 2 315.167 2.312 20 5 DEBDLO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044600 688918634 /nfs/dbraw/zinc/91/86/34/688918634.db2.gz CTCCJCLKOZZMHJ-UWVGGRQHSA-N 1 2 318.370 2.208 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879619770 690689475 /nfs/dbraw/zinc/68/94/75/690689475.db2.gz BKAITUBFIPTJJO-VXGBXAGGSA-N 1 2 321.377 2.015 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879619770 690689478 /nfs/dbraw/zinc/68/94/78/690689478.db2.gz BKAITUBFIPTJJO-VXGBXAGGSA-N 1 2 321.377 2.015 20 5 DEBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886002102 691981461 /nfs/dbraw/zinc/98/14/61/691981461.db2.gz QSCPQQCLLQOQTH-GFCCVEGCSA-N 1 2 322.365 2.089 20 5 DEBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886002102 691981465 /nfs/dbraw/zinc/98/14/65/691981465.db2.gz QSCPQQCLLQOQTH-GFCCVEGCSA-N 1 2 322.365 2.089 20 5 DEBDLO C[NH+](C)Cc1csc(CNC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000927770756 693670599 /nfs/dbraw/zinc/67/05/99/693670599.db2.gz JCMWDPALEDEYRS-UHFFFAOYSA-N 1 2 320.374 2.043 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932344243 694597154 /nfs/dbraw/zinc/59/71/54/694597154.db2.gz REPTVTBWDZOGLO-RYUDHWBXSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932344243 694597157 /nfs/dbraw/zinc/59/71/57/694597157.db2.gz REPTVTBWDZOGLO-RYUDHWBXSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001332836954 1149898534 /nfs/dbraw/zinc/89/85/34/1149898534.db2.gz BNUHSKZJGRXQCJ-KCPJHIHWSA-N 1 2 314.345 2.100 20 5 DEBDLO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCc1cc[nH+]c(N)c1 ZINC001167618372 777395365 /nfs/dbraw/zinc/39/53/65/777395365.db2.gz HYENLHAQKMMZGG-UHFFFAOYSA-N 1 2 316.317 2.279 20 5 DEBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170330062 786911134 /nfs/dbraw/zinc/91/11/34/786911134.db2.gz XPULTOAXPXLXCW-CYBMUJFWSA-N 1 2 319.405 2.314 20 5 DEBDLO COc1ccc(C[C@H](C)[N@H+]2C[C@H](F)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328373 786911210 /nfs/dbraw/zinc/91/12/10/786911210.db2.gz KEVLUNULSKIMHY-XEGUGMAKSA-N 1 2 312.341 2.203 20 5 DEBDLO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](F)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328373 786911217 /nfs/dbraw/zinc/91/12/17/786911217.db2.gz KEVLUNULSKIMHY-XEGUGMAKSA-N 1 2 312.341 2.203 20 5 DEBDLO CC(C)(C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1c[nH+]c[nH]1 ZINC001118824971 795230884 /nfs/dbraw/zinc/23/08/84/795230884.db2.gz UNAFAFMVIIZFMC-UHFFFAOYSA-N 1 2 300.318 2.138 20 5 DEBDLO CC(C)(COC(=O)COc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001123054794 795844824 /nfs/dbraw/zinc/84/48/24/795844824.db2.gz IYKPICFIHKCWTN-UHFFFAOYSA-N 1 2 319.317 2.149 20 5 DEBDLO O=[N+]([O-])c1ccnc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001158623858 798439928 /nfs/dbraw/zinc/43/99/28/798439928.db2.gz JNUVAHVJZGYXKI-LBPRGKRZSA-N 1 2 312.320 2.300 20 5 DEBDLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1Cl ZINC001229976535 801345021 /nfs/dbraw/zinc/34/50/21/801345021.db2.gz YGDRARHUKMJCHQ-JTQLQIEISA-N 1 2 300.742 2.266 20 5 DEBDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1Cl ZINC001229976535 801345030 /nfs/dbraw/zinc/34/50/30/801345030.db2.gz YGDRARHUKMJCHQ-JTQLQIEISA-N 1 2 300.742 2.266 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001216537726 801986172 /nfs/dbraw/zinc/98/61/72/801986172.db2.gz JLDWGTBHQJJYGN-NSHDSACASA-N 1 2 315.333 2.155 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3Cl)[C@H]1CC(=O)C2 ZINC001226810055 803163164 /nfs/dbraw/zinc/16/31/64/803163164.db2.gz KCCQMXPSHQFBOC-MRCXROJRSA-N 1 2 310.737 2.431 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3Cl)[C@H]1CC(=O)C2 ZINC001226810055 803163169 /nfs/dbraw/zinc/16/31/69/803163169.db2.gz KCCQMXPSHQFBOC-MRCXROJRSA-N 1 2 310.737 2.431 20 5 DEBDLO COC(=O)c1cccc(OC2C[NH+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001227893869 803292737 /nfs/dbraw/zinc/29/27/37/803292737.db2.gz JHGBSMNOLVBOTB-UHFFFAOYSA-N 1 2 308.334 2.243 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c[nH+]1 ZINC001331603228 1149551172 /nfs/dbraw/zinc/55/11/72/1149551172.db2.gz MAGNWPSYTZUGJK-UHFFFAOYSA-N 1 2 314.345 2.377 20 5 DEBDLO O=C(NCCn1cc[nH+]c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001540772381 1072428402 /nfs/dbraw/zinc/42/84/02/1072428402.db2.gz UWBIKSPFXLMCKB-UHFFFAOYSA-N 1 2 312.688 2.014 20 5 DEBDLO COc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])c(Br)c1 ZINC001459863700 1058225326 /nfs/dbraw/zinc/22/53/26/1058225326.db2.gz QETASLMRLZIAKH-QMMMGPOBSA-N 1 2 303.156 2.385 20 5 DEBDLO COc1ccc(C[NH2+]Cc2csc(N(C)C)n2)cc1[N+](=O)[O-] ZINC001461261488 1058624930 /nfs/dbraw/zinc/62/49/30/1058624930.db2.gz COQNKZXBBMZOOH-UHFFFAOYSA-N 1 2 322.390 2.416 20 5 DEBDLO C[C@@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC001466635832 1059509632 /nfs/dbraw/zinc/50/96/32/1059509632.db2.gz NBBBAGRVOXZLBB-VIFPVBQESA-N 1 2 314.305 2.257 20 5 DEBDLO COc1c(O)ccc(C[NH2+][C@@H](CCO)c2ccco2)c1[N+](=O)[O-] ZINC001474467418 1060874524 /nfs/dbraw/zinc/87/45/24/1060874524.db2.gz XUIUPRQYVWUHJL-NSHDSACASA-N 1 2 322.317 2.115 20 5 DEBDLO O=[N+]([O-])c1cc(CO)c(NCCNc2cccc[nH+]2)cc1F ZINC001611740021 1078105176 /nfs/dbraw/zinc/10/51/76/1078105176.db2.gz VWKNFUDVQIORAO-UHFFFAOYSA-N 1 2 306.297 2.145 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC=C(F)C1 ZINC001632807651 1078391644 /nfs/dbraw/zinc/39/16/44/1078391644.db2.gz HIIMBFWISMRMDJ-UHFFFAOYSA-N 1 2 316.292 2.480 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001637288171 1078512641 /nfs/dbraw/zinc/51/26/41/1078512641.db2.gz HKMSMVCEHQGEDO-UHFFFAOYSA-N 1 2 300.318 2.148 20 5 DEBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001519060791 1069030979 /nfs/dbraw/zinc/03/09/79/1069030979.db2.gz SZDDJBPNXAFCSN-UHFFFAOYSA-N 1 2 314.345 2.348 20 5 DEBDLO CC(C)c1[nH]cc(CNC(=O)CNc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001597807001 1077101564 /nfs/dbraw/zinc/10/15/64/1077101564.db2.gz VFMWVBKHHHQAKZ-UHFFFAOYSA-N 1 2 317.349 2.170 20 5 DEBDLO CC(C)c1[nH]c(CNC(=O)CNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001597807001 1077101568 /nfs/dbraw/zinc/10/15/68/1077101568.db2.gz VFMWVBKHHHQAKZ-UHFFFAOYSA-N 1 2 317.349 2.170 20 5 DEBDLO Cc1c(C[NH2+]Cc2nc(C(F)(F)F)n[nH]2)cccc1[N+](=O)[O-] ZINC001665965742 1081104067 /nfs/dbraw/zinc/10/40/67/1081104067.db2.gz RXGPRAHCNJCDCV-UHFFFAOYSA-N 1 2 315.255 2.330 20 5 DEBDLO C[N@H+](CC(N)=O)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319933839 1140805272 /nfs/dbraw/zinc/80/52/72/1140805272.db2.gz QHTNZXOSAGBYGB-UHFFFAOYSA-N 1 2 323.736 2.425 20 5 DEBDLO C[N@@H+](CC(N)=O)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319933839 1140805273 /nfs/dbraw/zinc/80/52/73/1140805273.db2.gz QHTNZXOSAGBYGB-UHFFFAOYSA-N 1 2 323.736 2.425 20 5 DEBDLO O=C(c1cccc2[nH+]ccn21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001320093923 1140820644 /nfs/dbraw/zinc/82/06/44/1140820644.db2.gz GEOTVOWACASJHL-UHFFFAOYSA-N 1 2 322.324 2.441 20 5 DEBDLO C[C@@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001320954013 1141006387 /nfs/dbraw/zinc/00/63/87/1141006387.db2.gz VFAICWXBSDNGON-OAHLLOKOSA-N 1 2 304.350 2.066 20 5 DEBDLO C[C@@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001320954013 1141006397 /nfs/dbraw/zinc/00/63/97/1141006397.db2.gz VFAICWXBSDNGON-OAHLLOKOSA-N 1 2 304.350 2.066 20 5 DEBDLO C[C@H](O)[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249073557 1141848409 /nfs/dbraw/zinc/84/84/09/1141848409.db2.gz AADAOODPUBKLKI-ZANVPECISA-N 1 2 321.340 2.214 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1(CO)CCCC1)C2 ZINC001336769795 1142566484 /nfs/dbraw/zinc/56/64/84/1142566484.db2.gz DJLHLAKMPZYFNX-MRXNPFEDSA-N 1 2 320.389 2.214 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1(CO)CCCC1)C2 ZINC001336769795 1142566499 /nfs/dbraw/zinc/56/64/99/1142566499.db2.gz DJLHLAKMPZYFNX-MRXNPFEDSA-N 1 2 320.389 2.214 20 5 DEBDLO C[N@H+](Cc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612584781 361865767 /nfs/dbraw/zinc/86/57/67/361865767.db2.gz PWOGADOTQAYKIV-UHFFFAOYSA-N 1 2 315.329 2.393 20 5 DEBDLO C[N@@H+](Cc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612584781 361865774 /nfs/dbraw/zinc/86/57/74/361865774.db2.gz PWOGADOTQAYKIV-UHFFFAOYSA-N 1 2 315.329 2.393 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccnc1 ZINC000159743128 186139450 /nfs/dbraw/zinc/13/94/50/186139450.db2.gz GVZGPYZRZTXCRY-GFCCVEGCSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccnc1 ZINC000159743128 186139451 /nfs/dbraw/zinc/13/94/51/186139451.db2.gz GVZGPYZRZTXCRY-GFCCVEGCSA-N 1 2 314.345 2.449 20 5 DEBDLO Cc1noc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595484571 358462071 /nfs/dbraw/zinc/46/20/71/358462071.db2.gz RMJVZCWTEYRWGG-LLVKDONJSA-N 1 2 323.271 2.171 20 5 DEBDLO Cc1noc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595484571 358462072 /nfs/dbraw/zinc/46/20/72/358462072.db2.gz RMJVZCWTEYRWGG-LLVKDONJSA-N 1 2 323.271 2.171 20 5 DEBDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595551873 358481799 /nfs/dbraw/zinc/48/17/99/358481799.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595551873 358481802 /nfs/dbraw/zinc/48/18/02/358481802.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595551873 358481807 /nfs/dbraw/zinc/48/18/07/358481807.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595551873 358481811 /nfs/dbraw/zinc/48/18/11/358481811.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595551873 358481814 /nfs/dbraw/zinc/48/18/14/358481814.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595551873 358481819 /nfs/dbraw/zinc/48/18/19/358481819.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 1 2 305.313 2.150 20 5 DEBDLO Cc1ncc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000047258900 354311351 /nfs/dbraw/zinc/31/13/51/354311351.db2.gz WESZPIOOBXRYRM-UHFFFAOYSA-N 1 2 320.374 2.091 20 5 DEBDLO Cc1ncc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000047258900 354311352 /nfs/dbraw/zinc/31/13/52/354311352.db2.gz WESZPIOOBXRYRM-UHFFFAOYSA-N 1 2 320.374 2.091 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000052723213 354411232 /nfs/dbraw/zinc/41/12/32/354411232.db2.gz YJHJRWPQVZXSNM-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000052851972 354415068 /nfs/dbraw/zinc/41/50/68/354415068.db2.gz XDLMTPFOQJYZBH-ZDUSSCGKSA-N 1 2 315.329 2.317 20 5 DEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000052851972 354415070 /nfs/dbraw/zinc/41/50/70/354415070.db2.gz XDLMTPFOQJYZBH-ZDUSSCGKSA-N 1 2 315.329 2.317 20 5 DEBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000054149129 354455105 /nfs/dbraw/zinc/45/51/05/354455105.db2.gz CKFDBORXPVQLAN-UHFFFAOYSA-N 1 2 314.276 2.312 20 5 DEBDLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000056357240 354530121 /nfs/dbraw/zinc/53/01/21/354530121.db2.gz MAACLZBVDGWXJR-UHFFFAOYSA-N 1 2 303.322 2.393 20 5 DEBDLO CN(CC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055520139 354502056 /nfs/dbraw/zinc/50/20/56/354502056.db2.gz FWGZHEKGJLVFQJ-UHFFFAOYSA-N 1 2 300.318 2.263 20 5 DEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857450 355109451 /nfs/dbraw/zinc/10/94/51/355109451.db2.gz FTIHCVUNLACYGP-CYBMUJFWSA-N 1 2 316.361 2.462 20 5 DEBDLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000119301711 355786299 /nfs/dbraw/zinc/78/62/99/355786299.db2.gz DKNZSEOTOHYVCR-CYBMUJFWSA-N 1 2 310.350 2.151 20 5 DEBDLO COCCc1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180416540 356050551 /nfs/dbraw/zinc/05/05/51/356050551.db2.gz IGEWHJSYMXAMIE-JTQLQIEISA-N 1 2 306.322 2.018 20 5 DEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000184102056 356185787 /nfs/dbraw/zinc/18/57/87/356185787.db2.gz IMPXJKGBSNMZJP-UHFFFAOYSA-N 1 2 324.300 2.214 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)on1 ZINC000198361787 356261910 /nfs/dbraw/zinc/26/19/10/356261910.db2.gz DIDBIFBABKGGKQ-UHFFFAOYSA-N 1 2 320.324 2.353 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1c[nH+]cn1C ZINC000291728171 356381671 /nfs/dbraw/zinc/38/16/71/356381671.db2.gz WRQALFNBKRLAAN-UHFFFAOYSA-N 1 2 302.334 2.184 20 5 DEBDLO CC1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412533393 283166415 /nfs/dbraw/zinc/16/64/15/283166415.db2.gz WYCCCTMEFYYRHC-ZDUSSCGKSA-N 1 2 300.318 2.309 20 5 DEBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000578906348 356890750 /nfs/dbraw/zinc/89/07/50/356890750.db2.gz NOCLLIJLLXHNBD-VIFPVBQESA-N 1 2 322.752 2.466 20 5 DEBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000578906348 356890753 /nfs/dbraw/zinc/89/07/53/356890753.db2.gz NOCLLIJLLXHNBD-VIFPVBQESA-N 1 2 322.752 2.466 20 5 DEBDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595011267 358377850 /nfs/dbraw/zinc/37/78/50/358377850.db2.gz KZBSYSASSVIIBU-SNVBAGLBSA-N 1 2 305.338 2.066 20 5 DEBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595297036 358415923 /nfs/dbraw/zinc/41/59/23/358415923.db2.gz AHKFKMDJOYJRDI-ZDUSSCGKSA-N 1 2 309.341 2.225 20 5 DEBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595297036 358415924 /nfs/dbraw/zinc/41/59/24/358415924.db2.gz AHKFKMDJOYJRDI-ZDUSSCGKSA-N 1 2 309.341 2.225 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000595343608 358426510 /nfs/dbraw/zinc/42/65/10/358426510.db2.gz BUADIGGDTKVXLD-UHFFFAOYSA-N 1 2 305.309 2.123 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000595343608 358426513 /nfs/dbraw/zinc/42/65/13/358426513.db2.gz BUADIGGDTKVXLD-UHFFFAOYSA-N 1 2 305.309 2.123 20 5 DEBDLO Cc1noc(C[N@H+](CCCO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595355689 358429479 /nfs/dbraw/zinc/42/94/79/358429479.db2.gz WMVIPGZGYZNSSV-UHFFFAOYSA-N 1 2 305.334 2.276 20 5 DEBDLO Cc1noc(C[N@@H+](CCCO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595355689 358429481 /nfs/dbraw/zinc/42/94/81/358429481.db2.gz WMVIPGZGYZNSSV-UHFFFAOYSA-N 1 2 305.334 2.276 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H]2C[C@@H]2C1 ZINC000596512591 358703710 /nfs/dbraw/zinc/70/37/10/358703710.db2.gz WKHSKPMRNYWAGJ-HUUCEWRRSA-N 1 2 317.389 2.273 20 5 DEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000598332903 359165941 /nfs/dbraw/zinc/16/59/41/359165941.db2.gz VBJGGIKDONBKOS-DGCLKSJQSA-N 1 2 312.329 2.263 20 5 DEBDLO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459546 359207400 /nfs/dbraw/zinc/20/74/00/359207400.db2.gz IATOSPFLSJWXHE-NSHDSACASA-N 1 2 317.349 2.008 20 5 DEBDLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000598945431 359363507 /nfs/dbraw/zinc/36/35/07/359363507.db2.gz BTSRDPCOGMVNAI-YPMHNXCESA-N 1 2 314.345 2.026 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947821 359364286 /nfs/dbraw/zinc/36/42/86/359364286.db2.gz NQWVTFUIHVEPQH-LBPRGKRZSA-N 1 2 314.345 2.153 20 5 DEBDLO NC(=O)C[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054157 359391168 /nfs/dbraw/zinc/39/11/68/359391168.db2.gz KFOJESSWDFNCCZ-NSHDSACASA-N 1 2 314.345 2.235 20 5 DEBDLO COc1cc(CN2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1F ZINC000599423142 359493589 /nfs/dbraw/zinc/49/35/89/359493589.db2.gz UMYRZJXSFNPTDG-UHFFFAOYSA-N 1 2 306.297 2.024 20 5 DEBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599689895 359573424 /nfs/dbraw/zinc/57/34/24/359573424.db2.gz LLEILSOGHUCDFO-AWEZNQCLSA-N 1 2 309.341 2.225 20 5 DEBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599689895 359573427 /nfs/dbraw/zinc/57/34/27/359573427.db2.gz LLEILSOGHUCDFO-AWEZNQCLSA-N 1 2 309.341 2.225 20 5 DEBDLO COc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000602550218 360428472 /nfs/dbraw/zinc/42/84/72/360428472.db2.gz KVDKJHVCSRELND-UHFFFAOYSA-N 1 2 309.347 2.358 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000602826588 360575037 /nfs/dbraw/zinc/57/50/37/360575037.db2.gz CBRVOPLTPGAQDQ-ZDUSSCGKSA-N 1 2 304.354 2.050 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000602826588 360575038 /nfs/dbraw/zinc/57/50/38/360575038.db2.gz CBRVOPLTPGAQDQ-ZDUSSCGKSA-N 1 2 304.354 2.050 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccn1 ZINC000602826993 360575087 /nfs/dbraw/zinc/57/50/87/360575087.db2.gz BVKBNOBQRZKDMO-UHFFFAOYSA-N 1 2 314.345 2.103 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccn1 ZINC000602826993 360575089 /nfs/dbraw/zinc/57/50/89/360575089.db2.gz BVKBNOBQRZKDMO-UHFFFAOYSA-N 1 2 314.345 2.103 20 5 DEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCn1cc[nH+]c1 ZINC000604528419 360913506 /nfs/dbraw/zinc/91/35/06/360913506.db2.gz DHFMQICORHWVHU-UHFFFAOYSA-N 1 2 302.334 2.230 20 5 DEBDLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000604527901 360914329 /nfs/dbraw/zinc/91/43/29/360914329.db2.gz MOSYRDZSFHFWII-LBPRGKRZSA-N 1 2 302.334 2.449 20 5 DEBDLO Cc1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000292604264 223168476 /nfs/dbraw/zinc/16/84/76/223168476.db2.gz WGTOSWMOZZBGJU-UHFFFAOYSA-N 1 2 317.349 2.065 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131340 361281451 /nfs/dbraw/zinc/28/14/51/361281451.db2.gz NNYMZTIZGCSWSU-JTQLQIEISA-N 1 2 306.347 2.330 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC000611336490 361581313 /nfs/dbraw/zinc/58/13/13/361581313.db2.gz HEGKMOPWTTXUIC-JTQLQIEISA-N 1 2 302.338 2.075 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1C ZINC000281905600 216623170 /nfs/dbraw/zinc/62/31/70/216623170.db2.gz IJNFBFWLLLUZID-UHFFFAOYSA-N 1 2 319.321 2.049 20 5 DEBDLO CNC(=O)c1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450834760 242290958 /nfs/dbraw/zinc/29/09/58/242290958.db2.gz VLQOLUVJCAWVID-SKDRFNHKSA-N 1 2 315.333 2.269 20 5 DEBDLO CCCc1[nH]nc(C(=O)Nc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000452331592 244151516 /nfs/dbraw/zinc/15/15/16/244151516.db2.gz DSPJKCLMQPHELR-UHFFFAOYSA-N 1 2 318.337 2.056 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000370348354 284155707 /nfs/dbraw/zinc/15/57/07/284155707.db2.gz KNIRTLXXWDFLSU-ZFWWWQNUSA-N 1 2 322.361 2.056 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000370348354 284155710 /nfs/dbraw/zinc/15/57/10/284155710.db2.gz KNIRTLXXWDFLSU-ZFWWWQNUSA-N 1 2 322.361 2.056 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000456348808 247112580 /nfs/dbraw/zinc/11/25/80/247112580.db2.gz INXBBBNNKZLNPE-JTQLQIEISA-N 1 2 317.349 2.344 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456433632 247190650 /nfs/dbraw/zinc/19/06/50/247190650.db2.gz UIPIMVIWRPXPNH-GXFFZTMASA-N 1 2 300.318 2.156 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292397758 296240673 /nfs/dbraw/zinc/24/06/73/296240673.db2.gz YNGZNPNVUUTGGT-RYUDHWBXSA-N 1 2 312.391 2.022 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292397758 296240674 /nfs/dbraw/zinc/24/06/74/296240674.db2.gz YNGZNPNVUUTGGT-RYUDHWBXSA-N 1 2 312.391 2.022 20 5 DEBDLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000060493508 184150174 /nfs/dbraw/zinc/15/01/74/184150174.db2.gz SWSBLVWUFSOSPF-LBPRGKRZSA-N 1 2 321.377 2.423 20 5 DEBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559150644 291910511 /nfs/dbraw/zinc/91/05/11/291910511.db2.gz YMRWJFJBYPDIGT-AWEZNQCLSA-N 1 2 318.329 2.132 20 5 DEBDLO COc1cc[nH+]cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000353845715 133006583 /nfs/dbraw/zinc/00/65/83/133006583.db2.gz MRDCCMWFVFCGAL-UHFFFAOYSA-N 1 2 303.274 2.259 20 5 DEBDLO CC[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000357776369 133099463 /nfs/dbraw/zinc/09/94/63/133099463.db2.gz UXXURIKZKKZNPK-CQSZACIVSA-N 1 2 323.393 2.264 20 5 DEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccc(C)[nH+]1 ZINC000359845136 133148871 /nfs/dbraw/zinc/14/88/71/133148871.db2.gz LPIXQBHRFMKUIG-UHFFFAOYSA-N 1 2 314.345 2.312 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000246316193 145098674 /nfs/dbraw/zinc/09/86/74/145098674.db2.gz RGSPCBZLPNQJQY-GDBMZVCRSA-N 1 2 318.329 2.295 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000246316193 145098677 /nfs/dbraw/zinc/09/86/77/145098677.db2.gz RGSPCBZLPNQJQY-GDBMZVCRSA-N 1 2 318.329 2.295 20 5 DEBDLO Cc1cccn2cc(CNC(=O)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000346402749 146076024 /nfs/dbraw/zinc/07/60/24/146076024.db2.gz UXBPMDOCOGGFNU-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO CCN1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000348362670 146260573 /nfs/dbraw/zinc/26/05/73/146260573.db2.gz CRESCECNFOWGSO-LBPRGKRZSA-N 1 2 321.406 2.258 20 5 DEBDLO Cc1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000374331118 148232031 /nfs/dbraw/zinc/23/20/31/148232031.db2.gz KFVDMNXRIXCXBJ-CYBMUJFWSA-N 1 2 314.345 2.266 20 5 DEBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127492293 401737149 /nfs/dbraw/zinc/73/71/49/401737149.db2.gz LLFAWQKWMRUPMH-LLVKDONJSA-N 1 2 314.345 2.282 20 5 DEBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127492293 401737150 /nfs/dbraw/zinc/73/71/50/401737150.db2.gz LLFAWQKWMRUPMH-LLVKDONJSA-N 1 2 314.345 2.282 20 5 DEBDLO O=C(Nc1nccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014461544 401812191 /nfs/dbraw/zinc/81/21/91/401812191.db2.gz RXEXAXAITBQNEV-UHFFFAOYSA-N 1 2 315.314 2.489 20 5 DEBDLO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000119981645 401973416 /nfs/dbraw/zinc/97/34/16/401973416.db2.gz CTGPWSMBNIYSDR-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000119981645 401973419 /nfs/dbraw/zinc/97/34/19/401973419.db2.gz CTGPWSMBNIYSDR-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO 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20 5 DEBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000270960354 403245637 /nfs/dbraw/zinc/24/56/37/403245637.db2.gz UWOZRNWDUONRFQ-CYBMUJFWSA-N 1 2 323.780 2.445 20 5 DEBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000270960357 403245828 /nfs/dbraw/zinc/24/58/28/403245828.db2.gz UWOZRNWDUONRFQ-ZDUSSCGKSA-N 1 2 323.780 2.445 20 5 DEBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000270960357 403245830 /nfs/dbraw/zinc/24/58/30/403245830.db2.gz UWOZRNWDUONRFQ-ZDUSSCGKSA-N 1 2 323.780 2.445 20 5 DEBDLO CC(=O)N1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000271201145 403277780 /nfs/dbraw/zinc/27/77/80/403277780.db2.gz ULWLPAQDCXGMOF-VUDGCMKMSA-N 1 2 303.362 2.161 20 5 DEBDLO CC(=O)N1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000271201145 403277782 /nfs/dbraw/zinc/27/77/82/403277782.db2.gz ULWLPAQDCXGMOF-VUDGCMKMSA-N 1 2 303.362 2.161 20 5 DEBDLO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nncn1C ZINC000285492140 403310226 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COCCC[N@@H+](CCOC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285914352 403410201 /nfs/dbraw/zinc/41/02/01/403410201.db2.gz HOTKYQGAJTTXCT-UHFFFAOYSA-N 1 2 318.320 2.358 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340159116 403566396 /nfs/dbraw/zinc/56/63/96/403566396.db2.gz FAISMYRZKLWFCD-UHFFFAOYSA-N 1 2 313.317 2.000 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000332730291 403608404 /nfs/dbraw/zinc/60/84/04/403608404.db2.gz UCXCBNSPEIADQP-SECBINFHSA-N 1 2 306.288 2.491 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000332730291 403608410 /nfs/dbraw/zinc/60/84/10/403608410.db2.gz UCXCBNSPEIADQP-SECBINFHSA-N 1 2 306.288 2.491 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC(F)(F)F)CC2 ZINC000332737167 403609041 /nfs/dbraw/zinc/60/90/41/403609041.db2.gz WAZMHVLYNYBBEA-GFCCVEGCSA-N 1 2 304.268 2.266 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC(F)(F)F)CC2 ZINC000332737167 403609046 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DEBDLO COc1cc(C(=O)OCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000783348916 642996910 /nfs/dbraw/zinc/99/69/10/642996910.db2.gz DQDBHFOULSTBLL-UHFFFAOYSA-N 1 2 305.290 2.047 20 5 DEBDLO Cn1c[nH+]cc1CCCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000902455057 643047416 /nfs/dbraw/zinc/04/74/16/643047416.db2.gz IUXBQUHZSYKQLR-UHFFFAOYSA-N 1 2 316.361 2.002 20 5 DEBDLO O=C(OCCCn1cc[nH+]c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000784053877 643089043 /nfs/dbraw/zinc/08/90/43/643089043.db2.gz HQPIBKPYFXBTMF-UHFFFAOYSA-N 1 2 311.244 2.317 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000793256609 644217197 /nfs/dbraw/zinc/21/71/97/644217197.db2.gz BKHQCJAOCBJQMN-UHFFFAOYSA-N 1 2 321.358 2.206 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000793257642 644218242 /nfs/dbraw/zinc/21/82/42/644218242.db2.gz XHCLDWFFXCMSIW-UHFFFAOYSA-N 1 2 303.318 2.047 20 5 DEBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000794967354 644501019 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324.402 2.464 20 5 DEBDLO CS[C@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172844 646743052 /nfs/dbraw/zinc/74/30/52/646743052.db2.gz RDBRZDYDUHLTIJ-RISCZKNCSA-N 1 2 324.402 2.464 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nccc(C(F)F)n2)c1 ZINC000819314726 647632390 /nfs/dbraw/zinc/63/23/90/647632390.db2.gz IWRJQHQOYYUBJX-LBPRGKRZSA-N 1 2 324.287 2.146 20 5 DEBDLO CC(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000830148110 649401078 /nfs/dbraw/zinc/40/10/78/649401078.db2.gz GMYQHDDDOUQJCK-UHFFFAOYSA-N 1 2 320.176 2.470 20 5 DEBDLO CC(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000830148110 649401081 /nfs/dbraw/zinc/40/10/81/649401081.db2.gz GMYQHDDDOUQJCK-UHFFFAOYSA-N 1 2 320.176 2.470 20 5 DEBDLO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccccc1[N+](=O)[O-] ZINC000857977852 652227227 /nfs/dbraw/zinc/22/72/27/652227227.db2.gz HZYJISMKFFEMMH-LBPRGKRZSA-N 1 2 314.345 2.330 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983521 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/nfs/dbraw/zinc/74/78/97/355747897.db2.gz KBZMTKDBKZWIFT-GFCCVEGCSA-N 1 2 321.352 2.321 20 5 DEBDLO COC(=O)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000152539969 355933504 /nfs/dbraw/zinc/93/35/04/355933504.db2.gz HRHXJEYLQBQYKD-CYBMUJFWSA-N 1 2 310.350 2.151 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000290657715 356379105 /nfs/dbraw/zinc/37/91/05/356379105.db2.gz FZJAXRHLUMVYKI-LLVKDONJSA-N 1 2 317.349 2.197 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](CCO)C2)c(F)c1 ZINC000586763281 357365872 /nfs/dbraw/zinc/36/58/72/357365872.db2.gz QKDQKAWFWSWPPH-SNVBAGLBSA-N 1 2 300.305 2.467 20 5 DEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](CCO)C2)c(F)c1 ZINC000586763281 357365875 /nfs/dbraw/zinc/36/58/75/357365875.db2.gz QKDQKAWFWSWPPH-SNVBAGLBSA-N 1 2 300.305 2.467 20 5 DEBDLO O=[N+]([O-])c1cc(NCC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000589102725 357443003 /nfs/dbraw/zinc/44/30/03/357443003.db2.gz KDRMLANVKMBZBK-UHFFFAOYSA-N 1 2 319.283 2.358 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2[nH]c[nH+]c2C1 ZINC000590379250 357538476 /nfs/dbraw/zinc/53/84/76/357538476.db2.gz NHQUYZRPDOQPPQ-UHFFFAOYSA-N 1 2 323.312 2.065 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2[nH+]c[nH]c2C1 ZINC000590379250 357538480 /nfs/dbraw/zinc/53/84/80/357538480.db2.gz NHQUYZRPDOQPPQ-UHFFFAOYSA-N 1 2 323.312 2.065 20 5 DEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC1CC1 ZINC000179519718 199049936 /nfs/dbraw/zinc/04/99/36/199049936.db2.gz GHZGHUAUFPLFLP-UHFFFAOYSA-N 1 2 303.362 2.085 20 5 DEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC1CC1 ZINC000179519718 199049939 /nfs/dbraw/zinc/04/99/39/199049939.db2.gz GHZGHUAUFPLFLP-UHFFFAOYSA-N 1 2 303.362 2.085 20 5 DEBDLO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000593168990 358025454 /nfs/dbraw/zinc/02/54/54/358025454.db2.gz FPWDIXRQRPNJCG-BXKDBHETSA-N 1 2 318.308 2.295 20 5 DEBDLO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595105358 358390700 /nfs/dbraw/zinc/39/07/00/358390700.db2.gz FFGNLNQTZDHGJV-FMKPAKJESA-N 1 2 316.361 2.185 20 5 DEBDLO COc1cccc2c1CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595425067 358444741 /nfs/dbraw/zinc/44/47/41/358444741.db2.gz KCADSXGSUBYTGO-UHFFFAOYSA-N 1 2 303.318 2.458 20 5 DEBDLO COc1cccc2c1CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595425067 358444744 /nfs/dbraw/zinc/44/47/44/358444744.db2.gz KCADSXGSUBYTGO-UHFFFAOYSA-N 1 2 303.318 2.458 20 5 DEBDLO Cc1noc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595345177 358426815 /nfs/dbraw/zinc/42/68/15/358426815.db2.gz NOJXHUOXWZYNJF-LLVKDONJSA-N 1 2 323.271 2.026 20 5 DEBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000595861089 358566609 /nfs/dbraw/zinc/56/66/09/358566609.db2.gz RSOQFTNYUBDJCS-LKFCYVNXSA-N 1 2 300.305 2.323 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000595861089 358566613 /nfs/dbraw/zinc/56/66/13/358566613.db2.gz RSOQFTNYUBDJCS-LKFCYVNXSA-N 1 2 300.305 2.323 20 5 DEBDLO COc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000596115806 358614576 /nfs/dbraw/zinc/61/45/76/358614576.db2.gz VNNURLCNYBPZRG-QWHCGFSZSA-N 1 2 323.393 2.433 20 5 DEBDLO Cc1nccnc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000598677851 359288185 /nfs/dbraw/zinc/28/81/85/359288185.db2.gz BTNFYOMEHRMBPI-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598950628 359365872 /nfs/dbraw/zinc/36/58/72/359365872.db2.gz UCDCJAPMAQFBGI-SECBINFHSA-N 1 2 320.736 2.190 20 5 DEBDLO Cc1[nH]c(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)[nH+]c1C ZINC000600165106 359670882 /nfs/dbraw/zinc/67/08/82/359670882.db2.gz NRDKQKKSXDQPOC-UHFFFAOYSA-N 1 2 302.334 2.198 20 5 DEBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000609039101 361276922 /nfs/dbraw/zinc/27/69/22/361276922.db2.gz ICXOERHQKZPDSN-UHFFFAOYSA-N 1 2 314.345 2.018 20 5 DEBDLO COc1ccc[nH+]c1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609288200 361297401 /nfs/dbraw/zinc/29/74/01/361297401.db2.gz GVQXJPNJYWVHSN-UHFFFAOYSA-N 1 2 314.345 2.325 20 5 DEBDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000611463190 361602543 /nfs/dbraw/zinc/60/25/43/361602543.db2.gz RNCCEVNWVDRBNG-UHFFFAOYSA-N 1 2 317.389 2.428 20 5 DEBDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000611463190 361602547 /nfs/dbraw/zinc/60/25/47/361602547.db2.gz RNCCEVNWVDRBNG-UHFFFAOYSA-N 1 2 317.389 2.428 20 5 DEBDLO Cn1cc[nH+]c1[C@H](NCc1cocn1)c1ccc([N+](=O)[O-])cc1 ZINC000611560927 361632245 /nfs/dbraw/zinc/63/22/45/361632245.db2.gz NHQLCNVYSBHTKZ-CQSZACIVSA-N 1 2 313.317 2.196 20 5 DEBDLO COc1cccnc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449745138 241019229 /nfs/dbraw/zinc/01/92/29/241019229.db2.gz BBTHJZWWEJBORB-UHFFFAOYSA-N 1 2 303.318 2.297 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000450822531 242272098 /nfs/dbraw/zinc/27/20/98/242272098.db2.gz BIAOKXCDIOJWFA-PSASIEDQSA-N 1 2 317.305 2.091 20 5 DEBDLO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271680213 209121314 /nfs/dbraw/zinc/12/13/14/209121314.db2.gz BJHYGKRRSUYGQI-NSHDSACASA-N 1 2 301.293 2.017 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000158736559 291645533 /nfs/dbraw/zinc/64/55/33/291645533.db2.gz HAYRMNLZOMWCCI-BQYQJAHWSA-N 1 2 300.318 2.141 20 5 DEBDLO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043783980 183385669 /nfs/dbraw/zinc/38/56/69/183385669.db2.gz BUBIHZGRZXXJTL-LBPRGKRZSA-N 1 2 305.378 2.474 20 5 DEBDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043783980 183385670 /nfs/dbraw/zinc/38/56/70/183385670.db2.gz BUBIHZGRZXXJTL-LBPRGKRZSA-N 1 2 305.378 2.474 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nccs1 ZINC000285217906 218337395 /nfs/dbraw/zinc/33/73/95/218337395.db2.gz FAZDBLQZDMJPJY-UHFFFAOYSA-N 1 2 320.374 2.164 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nccs1 ZINC000285217906 218337397 /nfs/dbraw/zinc/33/73/97/218337397.db2.gz FAZDBLQZDMJPJY-UHFFFAOYSA-N 1 2 320.374 2.164 20 5 DEBDLO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000110560056 194339253 /nfs/dbraw/zinc/33/92/53/194339253.db2.gz IFEZHSWUYWMYBM-UHFFFAOYSA-N 1 2 313.785 2.407 20 5 DEBDLO CCOc1cccc(NCC[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000359711273 133140404 /nfs/dbraw/zinc/14/04/04/133140404.db2.gz ZASQZWRPVOVGAT-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO CCOc1cccc(NCC[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000359711273 133140405 /nfs/dbraw/zinc/14/04/05/133140405.db2.gz ZASQZWRPVOVGAT-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO Cc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c(C)[nH+]1 ZINC000368469817 133274312 /nfs/dbraw/zinc/27/43/12/133274312.db2.gz JIPYRUPJNIEUMT-UHFFFAOYSA-N 1 2 316.365 2.348 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346179746 146032830 /nfs/dbraw/zinc/03/28/30/146032830.db2.gz RNHSHKKRPKLTMM-VIFPVBQESA-N 1 2 308.725 2.263 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000348290932 146250110 /nfs/dbraw/zinc/25/01/10/146250110.db2.gz FSBYBNWSMREVKN-UHFFFAOYSA-N 1 2 314.345 2.369 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000348290932 146250112 /nfs/dbraw/zinc/25/01/12/146250112.db2.gz FSBYBNWSMREVKN-UHFFFAOYSA-N 1 2 314.345 2.369 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349237252 146360896 /nfs/dbraw/zinc/36/08/96/146360896.db2.gz FAXZGCHXBKEWNV-JTQLQIEISA-N 1 2 304.306 2.181 20 5 DEBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1n1cc[nH+]c1 ZINC000126436760 401694657 /nfs/dbraw/zinc/69/46/57/401694657.db2.gz MGKOEQAQGUESAS-QWRGUYRKSA-N 1 2 304.306 2.108 20 5 DEBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC000088605209 401934227 /nfs/dbraw/zinc/93/42/27/401934227.db2.gz ZTBUNZAQPITCHZ-UHFFFAOYSA-N 1 2 303.362 2.012 20 5 DEBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC000088605209 401934229 /nfs/dbraw/zinc/93/42/29/401934229.db2.gz ZTBUNZAQPITCHZ-UHFFFAOYSA-N 1 2 303.362 2.012 20 5 DEBDLO CN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000079961032 401884654 /nfs/dbraw/zinc/88/46/54/401884654.db2.gz PZNRAMAZDWDLNG-UHFFFAOYSA-N 1 2 319.283 2.047 20 5 DEBDLO CN(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000079961032 401884656 /nfs/dbraw/zinc/88/46/56/401884656.db2.gz PZNRAMAZDWDLNG-UHFFFAOYSA-N 1 2 319.283 2.047 20 5 DEBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813076 401974447 /nfs/dbraw/zinc/97/44/47/401974447.db2.gz YQINKANHYMABRN-GJZGRUSLSA-N 1 2 322.361 2.046 20 5 DEBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813076 401974450 /nfs/dbraw/zinc/97/44/50/401974450.db2.gz YQINKANHYMABRN-GJZGRUSLSA-N 1 2 322.361 2.046 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC(F)(F)CO)C1CC1 ZINC000184696054 402292687 /nfs/dbraw/zinc/29/26/87/402292687.db2.gz DLNYAZTXAXTKQS-LBPRGKRZSA-N 1 2 300.305 2.133 20 5 DEBDLO C[C@]1(O)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000219828855 402299542 /nfs/dbraw/zinc/29/95/42/402299542.db2.gz ZKQHVAAUZSXYPF-LBPRGKRZSA-N 1 2 315.167 2.314 20 5 DEBDLO C[C@]1(O)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000219828855 402299545 /nfs/dbraw/zinc/29/95/45/402299545.db2.gz ZKQHVAAUZSXYPF-LBPRGKRZSA-N 1 2 315.167 2.314 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000185123535 402326323 /nfs/dbraw/zinc/32/63/23/402326323.db2.gz IUGAECOFJXLTLJ-ZDUSSCGKSA-N 1 2 306.318 2.410 20 5 DEBDLO Cc1ccc(C[NH2+][C@H](C)c2nnc3n2CCC3)cc1[N+](=O)[O-] ZINC000237482448 402409391 /nfs/dbraw/zinc/40/93/91/402409391.db2.gz NUTHCTDODMHQOJ-LLVKDONJSA-N 1 2 301.350 2.292 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171065563 402553977 /nfs/dbraw/zinc/55/39/77/402553977.db2.gz VIJHZLPJEWDFRM-UHFFFAOYSA-N 1 2 306.347 2.330 20 5 DEBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000171701096 402611963 /nfs/dbraw/zinc/61/19/63/402611963.db2.gz BSRBNAJYJMMQRN-JTQLQIEISA-N 1 2 310.375 2.399 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000171701096 402611965 /nfs/dbraw/zinc/61/19/65/402611965.db2.gz BSRBNAJYJMMQRN-JTQLQIEISA-N 1 2 310.375 2.399 20 5 DEBDLO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274829882 403091913 /nfs/dbraw/zinc/09/19/13/403091913.db2.gz RPXUWYDWZRSQLD-LLVKDONJSA-N 1 2 321.377 2.103 20 5 DEBDLO C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277624016 403238289 /nfs/dbraw/zinc/23/82/89/403238289.db2.gz MMFFKHNJTRHBPD-LALWHOCMSA-N 1 2 308.403 2.451 20 5 DEBDLO C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277624016 403238290 /nfs/dbraw/zinc/23/82/90/403238290.db2.gz MMFFKHNJTRHBPD-LALWHOCMSA-N 1 2 308.403 2.451 20 5 DEBDLO C[N@@H+]1CCO[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284297049 403260558 /nfs/dbraw/zinc/26/05/58/403260558.db2.gz INKQKTXTLFLVHK-XQTSXYSPSA-N 1 2 317.389 2.013 20 5 DEBDLO C[N@H+]1CCO[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284297049 403260559 /nfs/dbraw/zinc/26/05/59/403260559.db2.gz INKQKTXTLFLVHK-XQTSXYSPSA-N 1 2 317.389 2.013 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000330592902 403284450 /nfs/dbraw/zinc/28/44/50/403284450.db2.gz PBZCHLSWAKMZRZ-NSHDSACASA-N 1 2 309.391 2.279 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000330592902 403284451 /nfs/dbraw/zinc/28/44/51/403284451.db2.gz PBZCHLSWAKMZRZ-NSHDSACASA-N 1 2 309.391 2.279 20 5 DEBDLO Cc1cc(NC(=O)N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000298705092 403443806 /nfs/dbraw/zinc/44/38/06/403443806.db2.gz KQBOTIYEBATAST-UHFFFAOYSA-N 1 2 303.322 2.301 20 5 DEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000343084930 403458124 /nfs/dbraw/zinc/45/81/24/403458124.db2.gz OIJPIZMXLPJHFO-UHFFFAOYSA-N 1 2 311.357 2.281 20 5 DEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000343084930 403458128 /nfs/dbraw/zinc/45/81/28/403458128.db2.gz OIJPIZMXLPJHFO-UHFFFAOYSA-N 1 2 311.357 2.281 20 5 DEBDLO Cc1cc(N(C)[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286383741 403513375 /nfs/dbraw/zinc/51/33/75/403513375.db2.gz IWINDBODYHDQSL-LLVKDONJSA-N 1 2 302.334 2.177 20 5 DEBDLO C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000287875677 403684447 /nfs/dbraw/zinc/68/44/47/403684447.db2.gz MVGRFJSCOUDJRZ-LLVKDONJSA-N 1 2 312.801 2.296 20 5 DEBDLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341022334 403739930 /nfs/dbraw/zinc/73/99/30/403739930.db2.gz VNVKGAGZBNITQJ-JTQLQIEISA-N 1 2 320.349 2.196 20 5 DEBDLO CC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000343827643 403749834 /nfs/dbraw/zinc/74/98/34/403749834.db2.gz QZCVZSQGTGFPFS-AWEZNQCLSA-N 1 2 316.365 2.232 20 5 DEBDLO CC(C)COC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000347644680 403789603 /nfs/dbraw/zinc/78/96/03/403789603.db2.gz WYJBLPYSTICVAO-GFCCVEGCSA-N 1 2 322.365 2.425 20 5 DEBDLO Cc1[nH]nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000354595187 403895711 /nfs/dbraw/zinc/89/57/11/403895711.db2.gz GTGCMZXSCXHRHZ-UHFFFAOYSA-N 1 2 312.289 2.064 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC)c1 ZINC000295529933 403974939 /nfs/dbraw/zinc/97/49/39/403974939.db2.gz JNBUUWRKQIMXCD-UHFFFAOYSA-N 1 2 318.333 2.140 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000324230321 404098984 /nfs/dbraw/zinc/09/89/84/404098984.db2.gz XKNQENHZYNOLCS-ZDUSSCGKSA-N 1 2 319.361 2.001 20 5 DEBDLO COc1ccc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064658 /nfs/dbraw/zinc/06/46/58/404064658.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 1 2 317.349 2.019 20 5 DEBDLO COc1ccc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064663 /nfs/dbraw/zinc/06/46/63/404064663.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 1 2 317.349 2.019 20 5 DEBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000296516251 404286157 /nfs/dbraw/zinc/28/61/57/404286157.db2.gz PRKOMNLRJAKGBH-VIFPVBQESA-N 1 2 304.354 2.269 20 5 DEBDLO CCn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000296787926 404321750 /nfs/dbraw/zinc/32/17/50/404321750.db2.gz DJCKQIULIHEJLZ-UHFFFAOYSA-N 1 2 322.752 2.324 20 5 DEBDLO Cc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000338397248 404368034 /nfs/dbraw/zinc/36/80/34/404368034.db2.gz KIQSTJDTYQUZAW-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000352467745 404392431 /nfs/dbraw/zinc/39/24/31/404392431.db2.gz NIQXZUCSIFLYGN-AWEZNQCLSA-N 1 2 319.365 2.219 20 5 DEBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccoc1 ZINC000345091050 404543937 /nfs/dbraw/zinc/54/39/37/404543937.db2.gz MMLFYVKOHIIWJC-UHFFFAOYSA-N 1 2 315.329 2.209 20 5 DEBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccoc1 ZINC000345091050 404543944 /nfs/dbraw/zinc/54/39/44/404543944.db2.gz MMLFYVKOHIIWJC-UHFFFAOYSA-N 1 2 315.329 2.209 20 5 DEBDLO Cc1cn2c([nH+]1)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)CCC2 ZINC000376636189 404826179 /nfs/dbraw/zinc/82/61/79/404826179.db2.gz FFKXNNIFDJOCIC-NSHDSACASA-N 1 2 304.354 2.131 20 5 DEBDLO Cc1c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000378261956 404911262 /nfs/dbraw/zinc/91/12/62/404911262.db2.gz CTQQGVMFAVWIRZ-LBPRGKRZSA-N 1 2 314.345 2.266 20 5 DEBDLO Cc1cc(=O)n(Cc2[nH+]ccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000434652070 404919740 /nfs/dbraw/zinc/91/97/40/404919740.db2.gz ZAHQONGQHWGFMM-UHFFFAOYSA-N 1 2 310.313 2.299 20 5 DEBDLO Cc1cc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421574582 405543198 /nfs/dbraw/zinc/54/31/98/405543198.db2.gz GTZZHAVDKORJBJ-UHFFFAOYSA-N 1 2 315.329 2.302 20 5 DEBDLO C[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450332240 405838876 /nfs/dbraw/zinc/83/88/76/405838876.db2.gz DIFRBHPSMWPGSE-HNNXBMFYSA-N 1 2 318.308 2.355 20 5 DEBDLO Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c[nH+]1 ZINC000534299431 406178684 /nfs/dbraw/zinc/17/86/84/406178684.db2.gz SCVSPSFMUGOYAU-UHFFFAOYSA-N 1 2 315.285 2.010 20 5 DEBDLO O=C(NC[C@@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000416081012 228772554 /nfs/dbraw/zinc/77/25/54/228772554.db2.gz XCVKWQCKRJDCTL-LBPRGKRZSA-N 1 2 312.329 2.310 20 5 DEBDLO C[C@H]1COCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000363480793 269065842 /nfs/dbraw/zinc/06/58/42/269065842.db2.gz ZQOGXBHDFCACAC-LLVKDONJSA-N 1 2 318.333 2.113 20 5 DEBDLO C[C@H]1COCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000363480793 269065843 /nfs/dbraw/zinc/06/58/43/269065843.db2.gz ZQOGXBHDFCACAC-LLVKDONJSA-N 1 2 318.333 2.113 20 5 DEBDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706360 279343566 /nfs/dbraw/zinc/34/35/66/279343566.db2.gz MZAHNTWUCFPXGW-LBPRGKRZSA-N 1 2 321.377 2.045 20 5 DEBDLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706360 279343567 /nfs/dbraw/zinc/34/35/67/279343567.db2.gz MZAHNTWUCFPXGW-LBPRGKRZSA-N 1 2 321.377 2.045 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449549822 280369043 /nfs/dbraw/zinc/36/90/43/280369043.db2.gz ASMSUWYEUNLDEL-MBNYWOFBSA-N 1 2 306.362 2.283 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449549822 280369045 /nfs/dbraw/zinc/36/90/45/280369045.db2.gz ASMSUWYEUNLDEL-MBNYWOFBSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1cccnc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295952469 292719979 /nfs/dbraw/zinc/71/99/79/292719979.db2.gz HOIVHDBUVPUTLK-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375766617 295139340 /nfs/dbraw/zinc/13/93/40/295139340.db2.gz WUMSWZZFGLRSMD-INIZCTEOSA-N 1 2 311.341 2.180 20 5 DEBDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375766617 295139342 /nfs/dbraw/zinc/13/93/42/295139342.db2.gz WUMSWZZFGLRSMD-INIZCTEOSA-N 1 2 311.341 2.180 20 5 DEBDLO Nc1c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000176291459 295344593 /nfs/dbraw/zinc/34/45/93/295344593.db2.gz WTEOHNBNABZZIU-GFCCVEGCSA-N 1 2 315.333 2.268 20 5 DEBDLO CNc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000584275725 332180829 /nfs/dbraw/zinc/18/08/29/332180829.db2.gz HMHKHRJTITYORF-CABZTGNLSA-N 1 2 315.333 2.269 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(C)c[nH+]2)n1 ZINC000413348095 534245304 /nfs/dbraw/zinc/24/53/04/534245304.db2.gz NGKFLOPQADONFZ-UHFFFAOYSA-N 1 2 316.317 2.134 20 5 DEBDLO Cc1nc2n(n1)C[C@H](Nc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413106512 534706494 /nfs/dbraw/zinc/70/64/94/534706494.db2.gz BCGYFPLRJDBPQU-GFCCVEGCSA-N 1 2 324.344 2.470 20 5 DEBDLO COc1cc[nH+]c(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000106588346 524837146 /nfs/dbraw/zinc/83/71/46/524837146.db2.gz PWSKPZAPHHBWRY-UHFFFAOYSA-N 1 2 313.111 2.006 20 5 DEBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccncc1F ZINC000338342352 525520394 /nfs/dbraw/zinc/52/03/94/525520394.db2.gz NVOGABODFITGIT-SECBINFHSA-N 1 2 318.308 2.079 20 5 DEBDLO Cc1c[nH+]ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000337329373 526013981 /nfs/dbraw/zinc/01/39/81/526013981.db2.gz SKANBFPRASZFTO-UHFFFAOYSA-N 1 2 310.313 2.314 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](C)C1 ZINC000246068757 526168363 /nfs/dbraw/zinc/16/83/63/526168363.db2.gz BJFIOFMDYFPPKM-GHMZBOCLSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@H](C)C1 ZINC000246068757 526168370 /nfs/dbraw/zinc/16/83/70/526168370.db2.gz BJFIOFMDYFPPKM-GHMZBOCLSA-N 1 2 309.391 2.359 20 5 DEBDLO CC(C)n1cnnc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292460288 528638853 /nfs/dbraw/zinc/63/88/53/528638853.db2.gz QHGZCBGOKXNFHY-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO CC(C)n1cnnc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292460288 528638854 /nfs/dbraw/zinc/63/88/54/528638854.db2.gz QHGZCBGOKXNFHY-UHFFFAOYSA-N 1 2 303.366 2.442 20 5 DEBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255071697 535239451 /nfs/dbraw/zinc/23/94/51/535239451.db2.gz CBKQEAOQOUIZJK-ZQMJAJRESA-N 1 2 303.362 2.064 20 5 DEBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255071697 535239459 /nfs/dbraw/zinc/23/94/59/535239459.db2.gz CBKQEAOQOUIZJK-ZQMJAJRESA-N 1 2 303.362 2.064 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000492406925 536105726 /nfs/dbraw/zinc/10/57/26/536105726.db2.gz IONUGWVAARMPIR-VOTSOKGWSA-N 1 2 300.318 2.141 20 5 DEBDLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1[N+](=O)[O-] ZINC000824613540 608429022 /nfs/dbraw/zinc/42/90/22/608429022.db2.gz UNTXMPGUIJCCEE-VIFPVBQESA-N 1 2 314.305 2.219 20 5 DEBDLO CN(C)c1nccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000893302534 625431355 /nfs/dbraw/zinc/43/13/55/625431355.db2.gz FFMLGTGEPAUMAE-UHFFFAOYSA-N 1 2 321.768 2.394 20 5 DEBDLO C[C@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000052085761 625109108 /nfs/dbraw/zinc/10/91/08/625109108.db2.gz AIDARZWNPVMRAP-NSHDSACASA-N 1 2 317.345 2.270 20 5 DEBDLO C[C@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000052085761 625109110 /nfs/dbraw/zinc/10/91/10/625109110.db2.gz AIDARZWNPVMRAP-NSHDSACASA-N 1 2 317.345 2.270 20 5 DEBDLO Cc1c(-c2noc([C@@H]3C[N@@H+](C)C[C@H](C)O3)n2)cccc1[N+](=O)[O-] ZINC000924092548 625138348 /nfs/dbraw/zinc/13/83/48/625138348.db2.gz FIWHJXDFJSWOKT-ZANVPECISA-N 1 2 318.333 2.345 20 5 DEBDLO Cc1c(-c2noc([C@@H]3C[N@H+](C)C[C@H](C)O3)n2)cccc1[N+](=O)[O-] ZINC000924092548 625138350 /nfs/dbraw/zinc/13/83/50/625138350.db2.gz FIWHJXDFJSWOKT-ZANVPECISA-N 1 2 318.333 2.345 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+](CCO)C2CC2)c1Br ZINC000236518155 625138663 /nfs/dbraw/zinc/13/86/63/625138663.db2.gz XUCZVYABHYRRIM-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@H+](CCO)C2CC2)c1Br ZINC000236518155 625138669 /nfs/dbraw/zinc/13/86/69/625138669.db2.gz XUCZVYABHYRRIM-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO Cc1n[nH]c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000893877980 636053829 /nfs/dbraw/zinc/05/38/29/636053829.db2.gz ONBQKUZSEAMHLZ-UHFFFAOYSA-N 1 2 315.377 2.257 20 5 DEBDLO C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895244972 637840481 /nfs/dbraw/zinc/84/04/81/637840481.db2.gz BNORTICFXOVUIV-IINYFYTJSA-N 1 2 312.801 2.294 20 5 DEBDLO C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895244972 637840487 /nfs/dbraw/zinc/84/04/87/637840487.db2.gz BNORTICFXOVUIV-IINYFYTJSA-N 1 2 312.801 2.294 20 5 DEBDLO CC(C)[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000755918263 639603543 /nfs/dbraw/zinc/60/35/43/639603543.db2.gz BZMPTAAVAICKFJ-LLVKDONJSA-N 1 2 317.345 2.126 20 5 DEBDLO CC(C)[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000755918263 639603545 /nfs/dbraw/zinc/60/35/45/639603545.db2.gz BZMPTAAVAICKFJ-LLVKDONJSA-N 1 2 317.345 2.126 20 5 DEBDLO Cc1cc(F)cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000758416163 639957717 /nfs/dbraw/zinc/95/77/17/639957717.db2.gz NSDOPFHPYCZPLS-SNVBAGLBSA-N 1 2 306.297 2.057 20 5 DEBDLO CC[N@H+](CCSC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000842644339 650793835 /nfs/dbraw/zinc/79/38/35/650793835.db2.gz MCCMKIMQUVSXLC-UHFFFAOYSA-N 1 2 323.216 2.196 20 5 DEBDLO CC[N@@H+](CCSC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000842644339 650793837 /nfs/dbraw/zinc/79/38/37/650793837.db2.gz MCCMKIMQUVSXLC-UHFFFAOYSA-N 1 2 323.216 2.196 20 5 DEBDLO CCOc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000782482370 642888095 /nfs/dbraw/zinc/88/80/95/642888095.db2.gz NOUUZPRKDXCFFK-UHFFFAOYSA-N 1 2 319.317 2.437 20 5 DEBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N)ccc2[nH+]1 ZINC000786856260 643418123 /nfs/dbraw/zinc/41/81/23/643418123.db2.gz FTUCWSHIEREPJF-UHFFFAOYSA-N 1 2 311.301 2.385 20 5 DEBDLO Cc1cnc(COC(=O)CCCn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000789670445 643761541 /nfs/dbraw/zinc/76/15/41/643761541.db2.gz CGRRUGOOHZSTEN-UHFFFAOYSA-N 1 2 318.333 2.327 20 5 DEBDLO Cc1cccc(C(=O)OCCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000789791196 643776690 /nfs/dbraw/zinc/77/66/90/643776690.db2.gz FSWFQAPNUCGFNT-UHFFFAOYSA-N 1 2 303.318 2.426 20 5 DEBDLO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C2CC2)O1 ZINC000794654293 644453946 /nfs/dbraw/zinc/45/39/46/644453946.db2.gz ONPCRADDIFYKBF-MEDUHNTESA-N 1 2 316.361 2.401 20 5 DEBDLO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C2CC2)O1 ZINC000794654293 644453951 /nfs/dbraw/zinc/45/39/51/644453951.db2.gz ONPCRADDIFYKBF-MEDUHNTESA-N 1 2 316.361 2.401 20 5 DEBDLO COc1ccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000907298373 644504177 /nfs/dbraw/zinc/50/41/77/644504177.db2.gz CPOZXJPYGFSRJC-UHFFFAOYSA-N 1 2 318.333 2.482 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c(OC(F)F)c1 ZINC000811858231 646585405 /nfs/dbraw/zinc/58/54/05/646585405.db2.gz SXDOFOILHHWYSF-UHFFFAOYSA-N 1 2 310.260 2.413 20 5 DEBDLO COC(=O)C1([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000154651557 648058310 /nfs/dbraw/zinc/05/83/10/648058310.db2.gz GKGGQCBKFYDMRN-AWEZNQCLSA-N 1 2 322.361 2.046 20 5 DEBDLO COC(=O)C1([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000154651557 648058316 /nfs/dbraw/zinc/05/83/16/648058316.db2.gz GKGGQCBKFYDMRN-AWEZNQCLSA-N 1 2 322.361 2.046 20 5 DEBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930126765 648222194 /nfs/dbraw/zinc/22/21/94/648222194.db2.gz SLDLGDSXQNPYLH-LDYMZIIASA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930126765 648222197 /nfs/dbraw/zinc/22/21/97/648222197.db2.gz SLDLGDSXQNPYLH-LDYMZIIASA-N 1 2 315.167 2.312 20 5 DEBDLO CCn1nnc(C)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000823996610 648509013 /nfs/dbraw/zinc/50/90/13/648509013.db2.gz LTSWYIAZBDDMNM-UHFFFAOYSA-N 1 2 309.757 2.458 20 5 DEBDLO O=C(Cc1[nH]cc[nH+]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000828706152 649210898 /nfs/dbraw/zinc/21/08/98/649210898.db2.gz DBOCXTRKLPXSAE-CQSZACIVSA-N 1 2 318.358 2.135 20 5 DEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000829006303 649258285 /nfs/dbraw/zinc/25/82/85/649258285.db2.gz QMDRVWSRUXTJAK-JTQLQIEISA-N 1 2 320.736 2.190 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844296008 651106565 /nfs/dbraw/zinc/10/65/65/651106565.db2.gz UEMXYBLCZSEWMR-SNVBAGLBSA-N 1 2 305.290 2.357 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000866119208 687453620 /nfs/dbraw/zinc/45/36/20/687453620.db2.gz BZYXAEDPPVIOIV-GFCCVEGCSA-N 1 2 310.329 2.150 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000866119208 687453624 /nfs/dbraw/zinc/45/36/24/687453624.db2.gz BZYXAEDPPVIOIV-GFCCVEGCSA-N 1 2 310.329 2.150 20 5 DEBDLO CCc1nn(C)c(NC[C@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866193565 687486226 /nfs/dbraw/zinc/48/62/26/687486226.db2.gz DJVOGFBBVVGGNI-AWEZNQCLSA-N 1 2 315.377 2.489 20 5 DEBDLO CCc1nn(C)c(NC[C@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866193565 687486231 /nfs/dbraw/zinc/48/62/31/687486231.db2.gz DJVOGFBBVVGGNI-AWEZNQCLSA-N 1 2 315.377 2.489 20 5 DEBDLO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035806 688917307 /nfs/dbraw/zinc/91/73/07/688917307.db2.gz ZBCCAIZZQNOGRV-CHWSQXEVSA-N 1 2 324.400 2.020 20 5 DEBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccnn1C ZINC000877762025 690218513 /nfs/dbraw/zinc/21/85/13/690218513.db2.gz XZPDUISHGHWQCR-SECBINFHSA-N 1 2 301.306 2.320 20 5 DEBDLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880293942 690861894 /nfs/dbraw/zinc/86/18/94/690861894.db2.gz GAVHKGDREDUQHJ-SECBINFHSA-N 1 2 315.732 2.478 20 5 DEBDLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880293942 690861898 /nfs/dbraw/zinc/86/18/98/690861898.db2.gz GAVHKGDREDUQHJ-SECBINFHSA-N 1 2 315.732 2.478 20 5 DEBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886040282 691990399 /nfs/dbraw/zinc/99/03/99/691990399.db2.gz VSNYPXBQHYSTTD-CQSZACIVSA-N 1 2 301.350 2.369 20 5 DEBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886040282 691990400 /nfs/dbraw/zinc/99/04/00/691990400.db2.gz VSNYPXBQHYSTTD-CQSZACIVSA-N 1 2 301.350 2.369 20 5 DEBDLO Cc1[nH]c(C2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886659810 692150856 /nfs/dbraw/zinc/15/08/56/692150856.db2.gz VZPDVMZFPUVTLH-UHFFFAOYSA-N 1 2 318.381 2.048 20 5 DEBDLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001354208449 1151877231 /nfs/dbraw/zinc/87/72/31/1151877231.db2.gz RVJUXCVYKCQBOV-LLVKDONJSA-N 1 2 315.333 2.078 20 5 DEBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167991866 779208414 /nfs/dbraw/zinc/20/84/14/779208414.db2.gz GBWVDGGYECASNP-UHFFFAOYSA-N 1 2 315.268 2.037 20 5 DEBDLO CCOc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001168374539 781683583 /nfs/dbraw/zinc/68/35/83/781683583.db2.gz PUJBGCOHXXOCFU-CYBMUJFWSA-N 1 2 321.377 2.269 20 5 DEBDLO CCOc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001168374539 781683586 /nfs/dbraw/zinc/68/35/86/781683586.db2.gz PUJBGCOHXXOCFU-CYBMUJFWSA-N 1 2 321.377 2.269 20 5 DEBDLO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1=O ZINC000824511323 783596789 /nfs/dbraw/zinc/59/67/89/783596789.db2.gz XFXOUHFWFUKWKB-UHFFFAOYSA-N 1 2 317.345 2.232 20 5 DEBDLO COc1c(C)[nH]cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1=O ZINC000824511323 783596792 /nfs/dbraw/zinc/59/67/92/783596792.db2.gz XFXOUHFWFUKWKB-UHFFFAOYSA-N 1 2 317.345 2.232 20 5 DEBDLO CC(C)[NH+]1CC(Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001157525587 786512949 /nfs/dbraw/zinc/51/29/49/786512949.db2.gz FTKIJQODUVCNHL-UHFFFAOYSA-N 1 2 306.153 2.196 20 5 DEBDLO COC(=O)[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329786 786910509 /nfs/dbraw/zinc/91/05/09/786910509.db2.gz ULZRDFHZMRAKIH-BXUZGUMPSA-N 1 2 322.361 2.172 20 5 DEBDLO COC(=O)[C@H]1CCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329786 786910518 /nfs/dbraw/zinc/91/05/18/786910518.db2.gz ULZRDFHZMRAKIH-BXUZGUMPSA-N 1 2 322.361 2.172 20 5 DEBDLO CN(C)c1cc(CSCCn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC001116636376 794974661 /nfs/dbraw/zinc/97/46/61/794974661.db2.gz WIWYBGNPXNTTQB-UHFFFAOYSA-N 1 2 307.379 2.186 20 5 DEBDLO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001117263832 795038283 /nfs/dbraw/zinc/03/82/83/795038283.db2.gz SHMWAYUNUDDLDU-CYBMUJFWSA-N 1 2 300.318 2.351 20 5 DEBDLO C/C(=C/C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001124044525 796027557 /nfs/dbraw/zinc/02/75/57/796027557.db2.gz VKZIYVPJBWKFQB-LCYFTJDESA-N 1 2 319.361 2.120 20 5 DEBDLO C/C(=C\C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001124044526 796027860 /nfs/dbraw/zinc/02/78/60/796027860.db2.gz VKZIYVPJBWKFQB-UKTHLTGXSA-N 1 2 319.361 2.120 20 5 DEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156892119 798102523 /nfs/dbraw/zinc/10/25/23/798102523.db2.gz ZMDDWFKOEBOCNC-UHFFFAOYSA-N 1 2 314.345 2.056 20 5 DEBDLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001158756317 798464058 /nfs/dbraw/zinc/46/40/58/798464058.db2.gz MRGSCXMVHBAZNN-CQSZACIVSA-N 1 2 306.366 2.448 20 5 DEBDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001158756317 798464059 /nfs/dbraw/zinc/46/40/59/798464059.db2.gz MRGSCXMVHBAZNN-CQSZACIVSA-N 1 2 306.366 2.448 20 5 DEBDLO Nc1cc([N+](=O)[O-])cnc1NCc1c[nH+]cn1CC1CCC1 ZINC001161533282 798878260 /nfs/dbraw/zinc/87/82/60/798878260.db2.gz LNGFTMKYTOUIFR-UHFFFAOYSA-N 1 2 302.338 2.181 20 5 DEBDLO COC(=O)Cc1ccc(NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001161688226 798912173 /nfs/dbraw/zinc/91/21/73/798912173.db2.gz LXGQFGOQLNWOEG-UHFFFAOYSA-N 1 2 318.333 2.009 20 5 DEBDLO COc1cc[nH+]c(C(C)(C)CNc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001162127944 799015303 /nfs/dbraw/zinc/01/53/03/799015303.db2.gz CELNKVLSXJSFBZ-UHFFFAOYSA-N 1 2 318.333 2.022 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001216537722 801986262 /nfs/dbraw/zinc/98/62/62/801986262.db2.gz JLDWGTBHQJJYGN-LLVKDONJSA-N 1 2 315.333 2.155 20 5 DEBDLO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CC2(F)F)c(Br)c1 ZINC001218231218 802158123 /nfs/dbraw/zinc/15/81/23/802158123.db2.gz IDZUJIVOSWBHAX-VIFPVBQESA-N 1 2 323.093 2.343 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)c(F)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225961625 803034831 /nfs/dbraw/zinc/03/48/31/803034831.db2.gz XZTOSCLUCVXWER-UPZJHPNMSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)c(F)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225961625 803034837 /nfs/dbraw/zinc/03/48/37/803034837.db2.gz XZTOSCLUCVXWER-UPZJHPNMSA-N 1 2 312.272 2.056 20 5 DEBDLO O=[N+]([O-])c1cncnc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001228654992 803388108 /nfs/dbraw/zinc/38/81/08/803388108.db2.gz OIOIMMAUYULHGN-ZDUSSCGKSA-N 1 2 311.301 2.082 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(CO1)CCOCC3)C2 ZINC001330660880 1149240553 /nfs/dbraw/zinc/24/05/53/1149240553.db2.gz DAMOTGIJUFCGJA-INIZCTEOSA-N 1 2 318.373 2.496 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC3(CO1)CCOCC3)C2 ZINC001330660880 1149240571 /nfs/dbraw/zinc/24/05/71/1149240571.db2.gz DAMOTGIJUFCGJA-INIZCTEOSA-N 1 2 318.373 2.496 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001345587102 1150897347 /nfs/dbraw/zinc/89/73/47/1150897347.db2.gz DAERZXJLOCOWPY-UHFFFAOYSA-N 1 2 319.317 2.106 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1Cl ZINC001454148808 1057447794 /nfs/dbraw/zinc/44/77/94/1057447794.db2.gz FWSAHOILXUUEFP-LLVKDONJSA-N 1 2 306.709 2.320 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001456247452 1057835563 /nfs/dbraw/zinc/83/55/63/1057835563.db2.gz LVRCIBCDIXPBFP-UHFFFAOYSA-N 1 2 314.345 2.056 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001612811219 1078113877 /nfs/dbraw/zinc/11/38/77/1078113877.db2.gz WUDIYWINLULLED-CYBMUJFWSA-N 1 2 312.333 2.378 20 5 DEBDLO Nc1ncc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001625354274 1078242879 /nfs/dbraw/zinc/24/28/79/1078242879.db2.gz XIIFVSKYRSDVEX-UHFFFAOYSA-N 1 2 324.300 2.010 20 5 DEBDLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001635274621 1078446834 /nfs/dbraw/zinc/44/68/34/1078446834.db2.gz KYTPZENSNZKIEN-CHWSQXEVSA-N 1 2 314.345 2.473 20 5 DEBDLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001635274621 1078446835 /nfs/dbraw/zinc/44/68/35/1078446835.db2.gz KYTPZENSNZKIEN-CHWSQXEVSA-N 1 2 314.345 2.473 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001642403117 1078753194 /nfs/dbraw/zinc/75/31/94/1078753194.db2.gz SJJCAEFODGICRG-LLVKDONJSA-N 1 2 312.285 2.412 20 5 DEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001642866202 1078775299 /nfs/dbraw/zinc/77/52/99/1078775299.db2.gz IUJIWKWEWIJOEA-JTQLQIEISA-N 1 2 312.301 2.349 20 5 DEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001642866202 1078775304 /nfs/dbraw/zinc/77/53/04/1078775304.db2.gz IUJIWKWEWIJOEA-JTQLQIEISA-N 1 2 312.301 2.349 20 5 DEBDLO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC001642956245 1078779507 /nfs/dbraw/zinc/77/95/07/1078779507.db2.gz JPRILILJOARZPR-WFASDCNBSA-N 1 2 324.377 2.292 20 5 DEBDLO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC001642956245 1078779513 /nfs/dbraw/zinc/77/95/13/1078779513.db2.gz JPRILILJOARZPR-WFASDCNBSA-N 1 2 324.377 2.292 20 5 DEBDLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001643836063 1078816881 /nfs/dbraw/zinc/81/68/81/1078816881.db2.gz UNXYXCAKKWFIQB-NSHDSACASA-N 1 2 302.334 2.121 20 5 DEBDLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC001643836063 1078816888 /nfs/dbraw/zinc/81/68/88/1078816888.db2.gz UNXYXCAKKWFIQB-NSHDSACASA-N 1 2 302.334 2.121 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001644672271 1078854953 /nfs/dbraw/zinc/85/49/53/1078854953.db2.gz KHAHBKBWLZLJOS-LLVKDONJSA-N 1 2 300.318 2.080 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001644672271 1078854964 /nfs/dbraw/zinc/85/49/64/1078854964.db2.gz KHAHBKBWLZLJOS-LLVKDONJSA-N 1 2 300.318 2.080 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1C ZINC001556727476 1075041608 /nfs/dbraw/zinc/04/16/08/1075041608.db2.gz QMWQBKILYSXYOA-STQMWFEESA-N 1 2 321.352 2.080 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1C ZINC001556727476 1075041613 /nfs/dbraw/zinc/04/16/13/1075041613.db2.gz QMWQBKILYSXYOA-STQMWFEESA-N 1 2 321.352 2.080 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001620678279 1076065730 /nfs/dbraw/zinc/06/57/30/1076065730.db2.gz PIWLALPXIDDFSC-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001620678279 1076065735 /nfs/dbraw/zinc/06/57/35/1076065735.db2.gz PIWLALPXIDDFSC-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO C[C@](CO)([NH2+]Cc1cnc(C2CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001656786089 1080124116 /nfs/dbraw/zinc/12/41/16/1080124116.db2.gz 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COc1cc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)ccc1[N+](=O)[O-] ZINC001304107986 1147346657 /nfs/dbraw/zinc/34/66/57/1147346657.db2.gz NAVNRCGBGCCXKY-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO COc1cc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC001304107986 1147346665 /nfs/dbraw/zinc/34/66/65/1147346665.db2.gz NAVNRCGBGCCXKY-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccnn1C ZINC001308016565 1147441850 /nfs/dbraw/zinc/44/18/50/1147441850.db2.gz OUOMBKKGGRCYSU-VIFPVBQESA-N 1 2 305.294 2.087 20 5 DEBDLO CC[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442816589 529595689 /nfs/dbraw/zinc/59/56/89/529595689.db2.gz XWAJWXDDCWQCOZ-LLVKDONJSA-N 1 2 317.349 2.022 20 5 DEBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000286609429 219079718 /nfs/dbraw/zinc/07/97/18/219079718.db2.gz BTRGSUKMPGHLNE-LLVKDONJSA-N 1 2 312.801 2.296 20 5 DEBDLO CNC(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413142379 529901064 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O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556306 355093192 /nfs/dbraw/zinc/09/31/92/355093192.db2.gz UVPDYJIHCKSOOH-ZDUSSCGKSA-N 1 2 314.345 2.267 20 5 DEBDLO CCOC(=O)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000092532543 355639134 /nfs/dbraw/zinc/63/91/34/355639134.db2.gz PFYYIBWCOFQRJT-UHFFFAOYSA-N 1 2 322.361 2.466 20 5 DEBDLO CCOC(=O)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000092532543 355639137 /nfs/dbraw/zinc/63/91/37/355639137.db2.gz PFYYIBWCOFQRJT-UHFFFAOYSA-N 1 2 322.361 2.466 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2CCOC[C@@H]21 ZINC000590053032 357515010 /nfs/dbraw/zinc/51/50/10/357515010.db2.gz UKFFJQBVYKOMPC-RKXUAZDKSA-N 1 2 318.373 2.488 20 5 DEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2CCOC[C@@H]21 ZINC000590053032 357515017 /nfs/dbraw/zinc/51/50/17/357515017.db2.gz UKFFJQBVYKOMPC-RKXUAZDKSA-N 1 2 318.373 2.488 20 5 DEBDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000178675299 198909862 /nfs/dbraw/zinc/90/98/62/198909862.db2.gz HUCRXBHVNPRRFL-UHFFFAOYSA-N 1 2 317.349 2.023 20 5 DEBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(C(F)F)C1)OCCO2 ZINC000590968815 357655159 /nfs/dbraw/zinc/65/51/59/357655159.db2.gz SYKIYHLBDSFTDL-UHFFFAOYSA-N 1 2 300.261 2.063 20 5 DEBDLO CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276679177 213041911 /nfs/dbraw/zinc/04/19/11/213041911.db2.gz VXFYUFNNPGXVHI-AWEZNQCLSA-N 1 2 318.333 2.210 20 5 DEBDLO O=C1NCC[C@]12CCC[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593998340 358186750 /nfs/dbraw/zinc/18/67/50/358186750.db2.gz HQUVNOIGXGQCDD-CQSZACIVSA-N 1 2 309.753 2.103 20 5 DEBDLO O=C1NCC[C@]12CCC[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593998340 358186756 /nfs/dbraw/zinc/18/67/56/358186756.db2.gz HQUVNOIGXGQCDD-CQSZACIVSA-N 1 2 309.753 2.103 20 5 DEBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375766618 283361435 /nfs/dbraw/zinc/36/14/35/283361435.db2.gz WUMSWZZFGLRSMD-MRXNPFEDSA-N 1 2 311.341 2.180 20 5 DEBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375766618 283361438 /nfs/dbraw/zinc/36/14/38/283361438.db2.gz WUMSWZZFGLRSMD-MRXNPFEDSA-N 1 2 311.341 2.180 20 5 DEBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293881 358414345 /nfs/dbraw/zinc/41/43/45/358414345.db2.gz TZUDRNUPUBAFGU-UHFFFAOYSA-N 1 2 309.341 2.178 20 5 DEBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293881 358414350 /nfs/dbraw/zinc/41/43/50/358414350.db2.gz TZUDRNUPUBAFGU-UHFFFAOYSA-N 1 2 309.341 2.178 20 5 DEBDLO COc1ccc2c(c1)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595760732 358542873 /nfs/dbraw/zinc/54/28/73/358542873.db2.gz WYXVUDXPDHMFJK-UHFFFAOYSA-N 1 2 303.318 2.458 20 5 DEBDLO COc1ccc2c(c1)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595760732 358542874 /nfs/dbraw/zinc/54/28/74/358542874.db2.gz WYXVUDXPDHMFJK-UHFFFAOYSA-N 1 2 303.318 2.458 20 5 DEBDLO O=c1[nH]ccc(NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000596240256 358649770 /nfs/dbraw/zinc/64/97/70/358649770.db2.gz VUBCHCVPUHZIQQ-UHFFFAOYSA-N 1 2 316.308 2.084 20 5 DEBDLO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000596248439 358651681 /nfs/dbraw/zinc/65/16/81/358651681.db2.gz XLAPJOFHFBHERK-LBPRGKRZSA-N 1 2 311.407 2.266 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596247568 358651735 /nfs/dbraw/zinc/65/17/35/358651735.db2.gz RAFLFJBGPCKJAR-ZDUSSCGKSA-N 1 2 309.341 2.035 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H](C)CO1 ZINC000596426462 358683468 /nfs/dbraw/zinc/68/34/68/358683468.db2.gz AFSGAGAWNVZHOP-NWDGAFQWSA-N 1 2 320.393 2.084 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H](C)CO1 ZINC000596426462 358683473 /nfs/dbraw/zinc/68/34/73/358683473.db2.gz AFSGAGAWNVZHOP-NWDGAFQWSA-N 1 2 320.393 2.084 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947820 359364288 /nfs/dbraw/zinc/36/42/88/359364288.db2.gz NQWVTFUIHVEPQH-GFCCVEGCSA-N 1 2 314.345 2.153 20 5 DEBDLO C[C@H]1OCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619154622 363719973 /nfs/dbraw/zinc/71/99/73/363719973.db2.gz XNCCABABFMMDBW-OCCSQVGLSA-N 1 2 321.377 2.016 20 5 DEBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]2CO)cc1Br ZINC000602449651 360378333 /nfs/dbraw/zinc/37/83/33/360378333.db2.gz QHBGHHSLFBJOFE-ZETCQYMHSA-N 1 2 321.196 2.376 20 5 DEBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000602449651 360378337 /nfs/dbraw/zinc/37/83/37/360378337.db2.gz QHBGHHSLFBJOFE-ZETCQYMHSA-N 1 2 321.196 2.376 20 5 DEBDLO CSC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602920107 360625562 /nfs/dbraw/zinc/62/55/62/360625562.db2.gz JVCCSNUVVSWYRT-UHFFFAOYSA-N 1 2 309.391 2.361 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000525410838 283653730 /nfs/dbraw/zinc/65/37/30/283653730.db2.gz MDBPETYSNYHKQR-UHFFFAOYSA-N 1 2 304.272 2.064 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000611349052 361584325 /nfs/dbraw/zinc/58/43/25/361584325.db2.gz SYFVYJXMUQWAMD-UONOGXRCSA-N 1 2 305.378 2.062 20 5 DEBDLO CO[C@H](C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282559238 217087909 /nfs/dbraw/zinc/08/79/09/217087909.db2.gz YFAVZIPVAFZVMC-LLVKDONJSA-N 1 2 320.349 2.360 20 5 DEBDLO CO[C@H](C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282559238 217087912 /nfs/dbraw/zinc/08/79/12/217087912.db2.gz YFAVZIPVAFZVMC-LLVKDONJSA-N 1 2 320.349 2.360 20 5 DEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000155454015 291606116 /nfs/dbraw/zinc/60/61/16/291606116.db2.gz QPMJXHPZPZWXEE-UHFFFAOYSA-N 1 2 306.347 2.360 20 5 DEBDLO C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456433631 247186898 /nfs/dbraw/zinc/18/68/98/247186898.db2.gz UIPIMVIWRPXPNH-GWCFXTLKSA-N 1 2 300.318 2.156 20 5 DEBDLO CC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000042616389 183291132 /nfs/dbraw/zinc/29/11/32/183291132.db2.gz GLHIMLBDVOBZLP-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO CC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000042616389 183291134 /nfs/dbraw/zinc/29/11/34/183291134.db2.gz GLHIMLBDVOBZLP-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO Cn1cccc1C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285359325 218396151 /nfs/dbraw/zinc/39/61/51/218396151.db2.gz QEPAWSQIUAXYOW-UHFFFAOYSA-N 1 2 301.346 2.291 20 5 DEBDLO Cn1cccc1C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285359325 218396153 /nfs/dbraw/zinc/39/61/53/218396153.db2.gz QEPAWSQIUAXYOW-UHFFFAOYSA-N 1 2 301.346 2.291 20 5 DEBDLO O=C(C1CC1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000535071215 284878906 /nfs/dbraw/zinc/87/89/06/284878906.db2.gz WEMAOBLORLLSST-HWKANZROSA-N 1 2 315.373 2.162 20 5 DEBDLO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000269610037 207677155 /nfs/dbraw/zinc/67/71/55/207677155.db2.gz DVNRCRSGSPVNEL-ZJUUUORDSA-N 1 2 315.320 2.394 20 5 DEBDLO O=[N+]([O-])c1cccnc1N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000276202186 285166548 /nfs/dbraw/zinc/16/65/48/285166548.db2.gz IZMLEKGKMUJQJS-UHFFFAOYSA-N 1 2 324.344 2.193 20 5 DEBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCn2c[nH+]cc2C1 ZINC000290684038 285171063 /nfs/dbraw/zinc/17/10/63/285171063.db2.gz LPEKXLNZFDVYGO-UHFFFAOYSA-N 1 2 313.239 2.225 20 5 DEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](c2ccsc2)O1 ZINC000120860235 195251879 /nfs/dbraw/zinc/25/18/79/195251879.db2.gz ACTHRLRNZVDIHR-BXUZGUMPSA-N 1 2 322.390 2.315 20 5 DEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](c2ccsc2)O1 ZINC000120860235 195251880 /nfs/dbraw/zinc/25/18/80/195251880.db2.gz ACTHRLRNZVDIHR-BXUZGUMPSA-N 1 2 322.390 2.315 20 5 DEBDLO Cc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C)c[nH+]1 ZINC000543707475 285304796 /nfs/dbraw/zinc/30/47/96/285304796.db2.gz BKEPMOXTPGMLBN-UHFFFAOYSA-N 1 2 315.285 2.010 20 5 DEBDLO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000436984389 285394712 /nfs/dbraw/zinc/39/47/12/285394712.db2.gz AWIIABYMWSUARL-RYUDHWBXSA-N 1 2 321.377 2.245 20 5 DEBDLO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000436984389 285394711 /nfs/dbraw/zinc/39/47/11/285394711.db2.gz AWIIABYMWSUARL-RYUDHWBXSA-N 1 2 321.377 2.245 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358135113 133123497 /nfs/dbraw/zinc/12/34/97/133123497.db2.gz DJICHUQCYQSSME-UHFFFAOYSA-N 1 2 320.324 2.393 20 5 DEBDLO CSc1cccc(C(=O)NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000188017367 145005993 /nfs/dbraw/zinc/00/59/93/145005993.db2.gz WSKWJCYRRPHGFQ-UHFFFAOYSA-N 1 2 320.374 2.333 20 5 DEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000348416241 146268476 /nfs/dbraw/zinc/26/84/76/146268476.db2.gz UHTVTWWCMUDLFY-UHFFFAOYSA-N 1 2 301.302 2.371 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349243597 146362017 /nfs/dbraw/zinc/36/20/17/146362017.db2.gz PYVWDFRXCOJBOB-SNVBAGLBSA-N 1 2 304.306 2.181 20 5 DEBDLO CCOC(=O)C(C)(C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000112356426 401740872 /nfs/dbraw/zinc/74/08/72/401740872.db2.gz BKHXCWJZBSCEDY-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO CCOC(=O)C(C)(C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000112356426 401740874 /nfs/dbraw/zinc/74/08/74/401740874.db2.gz BKHXCWJZBSCEDY-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114123794 401792552 /nfs/dbraw/zinc/79/25/52/401792552.db2.gz WNSBZXRDSRRRKK-VIFPVBQESA-N 1 2 306.347 2.115 20 5 DEBDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135608654 401947372 /nfs/dbraw/zinc/94/73/72/401947372.db2.gz KQABXHCNWWMMEJ-LRDDRELGSA-N 1 2 321.377 2.423 20 5 DEBDLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135608654 401947375 /nfs/dbraw/zinc/94/73/75/401947375.db2.gz KQABXHCNWWMMEJ-LRDDRELGSA-N 1 2 321.377 2.423 20 5 DEBDLO CC(C)=CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000051824139 402036630 /nfs/dbraw/zinc/03/66/30/402036630.db2.gz CXAAYHOBXGDPQZ-UHFFFAOYSA-N 1 2 309.391 2.380 20 5 DEBDLO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000097667630 402129173 /nfs/dbraw/zinc/12/91/73/402129173.db2.gz SFIBRLTYWMQKPO-VXGBXAGGSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000097667630 402129175 /nfs/dbraw/zinc/12/91/75/402129175.db2.gz SFIBRLTYWMQKPO-VXGBXAGGSA-N 1 2 321.377 2.151 20 5 DEBDLO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1[nH+]ccn1C ZINC000153396157 402142546 /nfs/dbraw/zinc/14/25/46/402142546.db2.gz PSVFWTVBONQUDL-UHFFFAOYSA-N 1 2 301.306 2.102 20 5 DEBDLO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000106919694 402222181 /nfs/dbraw/zinc/22/21/81/402222181.db2.gz SFBALZXEIODOKG-LBPRGKRZSA-N 1 2 319.361 2.047 20 5 DEBDLO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000106919694 402222185 /nfs/dbraw/zinc/22/21/85/402222185.db2.gz SFBALZXEIODOKG-LBPRGKRZSA-N 1 2 319.361 2.047 20 5 DEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154851737 402236079 /nfs/dbraw/zinc/23/60/79/402236079.db2.gz TWNFFRMMTWFIML-UHFFFAOYSA-N 1 2 306.297 2.093 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000070979516 402268366 /nfs/dbraw/zinc/26/83/66/402268366.db2.gz HIDBWVFAMBNSOP-UHFFFAOYSA-N 1 2 306.347 2.069 20 5 DEBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000071435468 402274948 /nfs/dbraw/zinc/27/49/48/402274948.db2.gz DXISTDVTPBINGX-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO COCC1=CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000185894748 402387082 /nfs/dbraw/zinc/38/70/82/402387082.db2.gz UHHXBXNOVCDZKQ-UHFFFAOYSA-N 1 2 319.361 2.120 20 5 DEBDLO COCC1=CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000185894748 402387084 /nfs/dbraw/zinc/38/70/84/402387084.db2.gz UHHXBXNOVCDZKQ-UHFFFAOYSA-N 1 2 319.361 2.120 20 5 DEBDLO COCC1=CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185819339 402379980 /nfs/dbraw/zinc/37/99/80/402379980.db2.gz BXKMMBRXAIILIA-GFCCVEGCSA-N 1 2 319.361 2.200 20 5 DEBDLO COCC1=CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185819339 402379982 /nfs/dbraw/zinc/37/99/82/402379982.db2.gz BXKMMBRXAIILIA-GFCCVEGCSA-N 1 2 319.361 2.200 20 5 DEBDLO CC[C@H](C)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177999431 402451130 /nfs/dbraw/zinc/45/11/30/402451130.db2.gz KFMQIHUMMRQJJA-LBPRGKRZSA-N 1 2 305.378 2.474 20 5 DEBDLO CC[C@H](C)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177999431 402451132 /nfs/dbraw/zinc/45/11/32/402451132.db2.gz KFMQIHUMMRQJJA-LBPRGKRZSA-N 1 2 305.378 2.474 20 5 DEBDLO CC(=O)N1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163263534 402445838 /nfs/dbraw/zinc/44/58/38/402445838.db2.gz LDMARXDCKFMNKQ-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO CC(=O)N1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163263534 402445839 /nfs/dbraw/zinc/44/58/39/402445839.db2.gz LDMARXDCKFMNKQ-UHFFFAOYSA-N 1 2 311.769 2.302 20 5 DEBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000170645538 402509989 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CC(C)CNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131515849 196176437 /nfs/dbraw/zinc/17/64/37/196176437.db2.gz FFPNKTOINUKZGZ-LBPRGKRZSA-N 1 2 305.378 2.114 20 5 DEBDLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131515849 196176439 /nfs/dbraw/zinc/17/64/39/196176439.db2.gz FFPNKTOINUKZGZ-LBPRGKRZSA-N 1 2 305.378 2.114 20 5 DEBDLO NC(=O)C[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413184427 228288123 /nfs/dbraw/zinc/28/81/23/228288123.db2.gz NZGHKVOPSRIPHN-NSHDSACASA-N 1 2 314.345 2.235 20 5 DEBDLO Cc1noc(CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1 ZINC000413119281 424942003 /nfs/dbraw/zinc/94/20/03/424942003.db2.gz NJCRYJBRHVFEIJ-UHFFFAOYSA-N 1 2 313.317 2.879 20 5 DEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(N)[nH+]c1 ZINC000343240493 424974436 /nfs/dbraw/zinc/97/44/36/424974436.db2.gz WWZZQSMMCIADFM-UHFFFAOYSA-N 1 2 316.317 2.279 20 5 DEBDLO CCC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000290713089 275949645 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309.341 2.033 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362592974 295255071 /nfs/dbraw/zinc/25/50/71/295255071.db2.gz VMJNPXKCHITWJF-LLVKDONJSA-N 1 2 323.393 2.338 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362592974 295255073 /nfs/dbraw/zinc/25/50/73/295255073.db2.gz VMJNPXKCHITWJF-LLVKDONJSA-N 1 2 323.393 2.338 20 5 DEBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000370685650 302026984 /nfs/dbraw/zinc/02/69/84/302026984.db2.gz GKNGOVAYLSPHBK-ZDUSSCGKSA-N 1 2 301.350 2.369 20 5 DEBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000370685650 302026985 /nfs/dbraw/zinc/02/69/85/302026985.db2.gz GKNGOVAYLSPHBK-ZDUSSCGKSA-N 1 2 301.350 2.369 20 5 DEBDLO Cc1ccc(CN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193400820 533872702 /nfs/dbraw/zinc/87/27/02/533872702.db2.gz DIWHITOQWACRLW-GASCZTMLSA-N 1 2 321.421 2.444 20 5 DEBDLO Cc1ccc(CN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193400820 533872712 /nfs/dbraw/zinc/87/27/12/533872712.db2.gz DIWHITOQWACRLW-GASCZTMLSA-N 1 2 321.421 2.444 20 5 DEBDLO Cc1ccc2[nH+]c(CNC(=O)CCC(C)(C)[N+](=O)[O-])cn2c1 ZINC000294537161 534497480 /nfs/dbraw/zinc/49/74/80/534497480.db2.gz MOYRKDVLNPCHKV-UHFFFAOYSA-N 1 2 304.350 2.094 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368971959 526987165 /nfs/dbraw/zinc/98/71/65/526987165.db2.gz DTXTXKPLNIIMSJ-BHYNMZESSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368971959 526987166 /nfs/dbraw/zinc/98/71/66/526987166.db2.gz DTXTXKPLNIIMSJ-BHYNMZESSA-N 1 2 323.780 2.334 20 5 DEBDLO CC[C@@H]1C[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCO1 ZINC000362673482 535858722 /nfs/dbraw/zinc/85/87/22/535858722.db2.gz XUDCZECWWKDKFF-GFCCVEGCSA-N 1 2 320.393 2.086 20 5 DEBDLO CC[C@@H]1C[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCO1 ZINC000362673482 535858725 /nfs/dbraw/zinc/85/87/25/535858725.db2.gz XUDCZECWWKDKFF-GFCCVEGCSA-N 1 2 320.393 2.086 20 5 DEBDLO COc1cc([N+](=O)[O-])cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000892158616 624806488 /nfs/dbraw/zinc/80/64/88/624806488.db2.gz BOZHMSNZRCZHMP-UHFFFAOYSA-N 1 2 303.322 2.036 20 5 DEBDLO Cc1cc(F)cc(C(=O)NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000176684291 624910678 /nfs/dbraw/zinc/91/06/78/624910678.db2.gz FLABUULSLHMXTF-UHFFFAOYSA-N 1 2 306.297 2.059 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCn3c[nH+]cc3C2)cc1Cl ZINC000836789490 650129811 /nfs/dbraw/zinc/12/98/11/650129811.db2.gz OBOMRNUTHHJJME-UHFFFAOYSA-N 1 2 320.736 2.409 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000896661032 638623332 /nfs/dbraw/zinc/62/33/32/638623332.db2.gz XSQHJJHTPMAPPW-UHFFFAOYSA-N 1 2 307.741 2.422 20 5 DEBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000749997873 638702076 /nfs/dbraw/zinc/70/20/76/638702076.db2.gz RXKYDMCNFZIFTN-UHFFFAOYSA-N 1 2 306.709 2.142 20 5 DEBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC(O)C1 ZINC000839557291 639750553 /nfs/dbraw/zinc/75/05/53/639750553.db2.gz UKPXLYGLIZHRDM-UHFFFAOYSA-N 1 2 315.167 2.312 20 5 DEBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC(O)C1 ZINC000839557291 639750555 /nfs/dbraw/zinc/75/05/55/639750555.db2.gz UKPXLYGLIZHRDM-UHFFFAOYSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1[C@H](C)C[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1C ZINC000841693006 650542976 /nfs/dbraw/zinc/54/29/76/650542976.db2.gz SZORGEJKHRKRJS-MXWKQRLJSA-N 1 2 317.345 2.125 20 5 DEBDLO C[C@@H]1[C@H](C)C[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1C ZINC000841693006 650542978 /nfs/dbraw/zinc/54/29/78/650542978.db2.gz SZORGEJKHRKRJS-MXWKQRLJSA-N 1 2 317.345 2.125 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1C ZINC000897731001 640923415 /nfs/dbraw/zinc/92/34/15/640923415.db2.gz VFGLWUHIFJIZBN-GFCCVEGCSA-N 1 2 314.345 2.153 20 5 DEBDLO COc1nn(C)cc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000898029574 641006157 /nfs/dbraw/zinc/00/61/57/641006157.db2.gz WPOQCVHBUMIEGL-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc2[nH+]ccn21 ZINC000771834806 641557986 /nfs/dbraw/zinc/55/79/86/641557986.db2.gz ZTDCOSNLQNFMLW-UHFFFAOYSA-N 1 2 310.313 2.215 20 5 DEBDLO O=C(CSc1ccccc1[N+](=O)[O-])OCCn1cc[nH+]c1 ZINC000771862965 641562396 /nfs/dbraw/zinc/56/23/96/641562396.db2.gz YQPDQHLICABUPY-UHFFFAOYSA-N 1 2 307.331 2.127 20 5 DEBDLO O=C(OCCn1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000771918176 641571247 /nfs/dbraw/zinc/57/12/47/641571247.db2.gz MGHVJUSLDLYSQF-UHFFFAOYSA-N 1 2 301.258 2.395 20 5 DEBDLO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000898907793 641845816 /nfs/dbraw/zinc/84/58/16/641845816.db2.gz ZSJITHBOPLNPNU-LBPRGKRZSA-N 1 2 316.361 2.446 20 5 DEBDLO CC1(O)CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774640087 641933196 /nfs/dbraw/zinc/93/31/96/641933196.db2.gz PHVWEAAXLWRWKX-UHFFFAOYSA-N 1 2 324.768 2.402 20 5 DEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000776275968 642152092 /nfs/dbraw/zinc/15/20/92/642152092.db2.gz JEFVFFXXUIIKEZ-CJNGLKHVSA-N 1 2 316.361 2.231 20 5 DEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000776275968 642152094 /nfs/dbraw/zinc/15/20/94/642152094.db2.gz JEFVFFXXUIIKEZ-CJNGLKHVSA-N 1 2 316.361 2.231 20 5 DEBDLO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCSCC3)c2)c1 ZINC000777955402 642325219 /nfs/dbraw/zinc/32/52/19/642325219.db2.gz QPTJEQXVLGGUCO-UHFFFAOYSA-N 1 2 304.375 2.465 20 5 DEBDLO CCCC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677950 643262371 /nfs/dbraw/zinc/26/23/71/643262371.db2.gz NZWNUECZDYANMS-UHFFFAOYSA-N 1 2 317.301 2.307 20 5 DEBDLO COc1nn(C)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903338300 643318456 /nfs/dbraw/zinc/31/84/56/643318456.db2.gz POZKFFQDNIMUGL-SNVBAGLBSA-N 1 2 320.349 2.196 20 5 DEBDLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028934 645288885 /nfs/dbraw/zinc/28/88/85/645288885.db2.gz XAVCXZGGUAEDGD-KBPBESRZSA-N 1 2 301.302 2.138 20 5 DEBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]([NH3+])C(F)F ZINC000912149704 645964890 /nfs/dbraw/zinc/96/48/90/645964890.db2.gz FYQVULJYCOKEOK-SNVBAGLBSA-N 1 2 321.711 2.189 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840160700 646191908 /nfs/dbraw/zinc/19/19/08/646191908.db2.gz RNYSIMBURANQQV-OAHLLOKOSA-N 1 2 324.381 2.111 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840160700 646191910 /nfs/dbraw/zinc/19/19/10/646191910.db2.gz RNYSIMBURANQQV-OAHLLOKOSA-N 1 2 324.381 2.111 20 5 DEBDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000809869453 646293328 /nfs/dbraw/zinc/29/33/28/646293328.db2.gz TXNAPWPQTWFFCW-UHFFFAOYSA-N 1 2 309.713 2.303 20 5 DEBDLO O=C(OC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000069199368 648550158 /nfs/dbraw/zinc/55/01/58/648550158.db2.gz OZBIEUXJHDEJGF-GFCCVEGCSA-N 1 2 317.301 2.116 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000857948859 652216563 /nfs/dbraw/zinc/21/65/63/652216563.db2.gz RWWIRSVWIKGAKR-VIFPVBQESA-N 1 2 320.736 2.190 20 5 DEBDLO CCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857990813 652232823 /nfs/dbraw/zinc/23/28/23/652232823.db2.gz AGUFVXKRPJUAOZ-NSHDSACASA-N 1 2 316.317 2.065 20 5 DEBDLO Cc1noc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1[N+](=O)[O-] ZINC000858045157 652243408 /nfs/dbraw/zinc/24/34/08/652243408.db2.gz PBTMLXIJUQVRQZ-LBPRGKRZSA-N 1 2 318.333 2.248 20 5 DEBDLO Cc1noc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1[N+](=O)[O-] ZINC000858045157 652243414 /nfs/dbraw/zinc/24/34/14/652243414.db2.gz PBTMLXIJUQVRQZ-LBPRGKRZSA-N 1 2 318.333 2.248 20 5 DEBDLO Cc1nn(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000853572267 652570759 /nfs/dbraw/zinc/57/07/59/652570759.db2.gz QXJRWPPBKSBESM-OAHLLOKOSA-N 1 2 308.382 2.338 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000928245706 693747469 /nfs/dbraw/zinc/74/74/69/693747469.db2.gz VURJZXIZFUITHE-DGCLKSJQSA-N 1 2 314.345 2.231 20 5 DEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1Cl ZINC000860980511 685982121 /nfs/dbraw/zinc/98/21/21/685982121.db2.gz WAJQAEYFYBJCHY-SECBINFHSA-N 1 2 320.736 2.190 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000876734271 689920642 /nfs/dbraw/zinc/92/06/42/689920642.db2.gz QTLOLKRHBVEIOR-LLVKDONJSA-N 1 2 314.407 2.077 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000876734271 689920644 /nfs/dbraw/zinc/92/06/44/689920644.db2.gz QTLOLKRHBVEIOR-LLVKDONJSA-N 1 2 314.407 2.077 20 5 DEBDLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877304508 690071235 /nfs/dbraw/zinc/07/12/35/690071235.db2.gz ZXQIOQAKPLURHR-HNNXBMFYSA-N 1 2 306.362 2.459 20 5 DEBDLO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000877818606 690240478 /nfs/dbraw/zinc/24/04/78/690240478.db2.gz LIIMZEDUIQPGCD-GFCCVEGCSA-N 1 2 322.361 2.466 20 5 DEBDLO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000877818606 690240480 /nfs/dbraw/zinc/24/04/80/690240480.db2.gz LIIMZEDUIQPGCD-GFCCVEGCSA-N 1 2 322.361 2.466 20 5 DEBDLO C[C@@H](CNC(=O)CNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000887399344 692354468 /nfs/dbraw/zinc/35/44/68/692354468.db2.gz SJVWYSCBVVZYRS-LBPRGKRZSA-N 1 2 314.345 2.322 20 5 DEBDLO Cn1ccc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000932130706 694555567 /nfs/dbraw/zinc/55/55/67/694555567.db2.gz NLWLBFWTXGKDDJ-LBPRGKRZSA-N 1 2 316.361 2.414 20 5 DEBDLO Cn1ccc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000932130706 694555568 /nfs/dbraw/zinc/55/55/68/694555568.db2.gz NLWLBFWTXGKDDJ-LBPRGKRZSA-N 1 2 316.361 2.414 20 5 DEBDLO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000932350193 694599256 /nfs/dbraw/zinc/59/92/56/694599256.db2.gz QNKHOVFJRRUDQQ-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000932350193 694599259 /nfs/dbraw/zinc/59/92/59/694599259.db2.gz QNKHOVFJRRUDQQ-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO Cc1cc(Cl)c(C(=O)NCCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC001350512759 1151365929 /nfs/dbraw/zinc/36/59/29/1151365929.db2.gz XXCIRFFYUBRNIX-UHFFFAOYSA-N 1 2 322.752 2.263 20 5 DEBDLO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC001443307886 1182916015 /nfs/dbraw/zinc/91/60/15/1182916015.db2.gz AZRBISHDTCAXGN-UHFFFAOYSA-N 1 2 312.289 2.064 20 5 DEBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCn3cc(C(F)(F)F)nc3C2)C1 ZINC001169030320 785010376 /nfs/dbraw/zinc/01/03/76/785010376.db2.gz YRWGCNJWRVFZFD-UWVGGRQHSA-N 1 2 318.299 2.163 20 5 DEBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCn3cc(C(F)(F)F)nc3C2)C1 ZINC001169030320 785010381 /nfs/dbraw/zinc/01/03/81/785010381.db2.gz YRWGCNJWRVFZFD-UWVGGRQHSA-N 1 2 318.299 2.163 20 5 DEBDLO C[C@@](CO)([NH2+]Cc1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC001175322305 794181962 /nfs/dbraw/zinc/18/19/62/794181962.db2.gz ABPOEMYOHGXGHG-INIZCTEOSA-N 1 2 317.345 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DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346669882 295136794 /nfs/dbraw/zinc/13/67/94/295136794.db2.gz JDZOZSRXHBTTDL-RBZYPMLTSA-N 1 2 323.780 2.334 20 5 DEBDLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574606459 326169943 /nfs/dbraw/zinc/16/99/43/326169943.db2.gz LZKVEAXMBNVEEG-NSHDSACASA-N 1 2 302.334 2.231 20 5 DEBDLO CCOCCO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000157849640 520035042 /nfs/dbraw/zinc/03/50/42/520035042.db2.gz DWJPTWMJNYAGAD-LBPRGKRZSA-N 1 2 300.380 2.284 20 5 DEBDLO CCOCCO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000157849640 520035051 /nfs/dbraw/zinc/03/50/51/520035051.db2.gz DWJPTWMJNYAGAD-LBPRGKRZSA-N 1 2 300.380 2.284 20 5 DEBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C(C)C ZINC000339209386 523962205 /nfs/dbraw/zinc/96/22/05/523962205.db2.gz ONPRZSKSFGNHKI-DZGCQCFKSA-N 1 2 322.361 2.320 20 5 DEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C(C)C ZINC000339209386 523962207 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CC[C@H]1C[N@H+](CCNc2nc(C)cc(C)c2[N+](=O)[O-])CCO1 ZINC000362681977 536150652 /nfs/dbraw/zinc/15/06/52/536150652.db2.gz VCACJZIKQYHPJX-ZDUSSCGKSA-N 1 2 308.382 2.129 20 5 DEBDLO CC[C@H]1C[N@@H+](CCNc2nc(C)cc(C)c2[N+](=O)[O-])CCO1 ZINC000362681977 536150655 /nfs/dbraw/zinc/15/06/55/536150655.db2.gz VCACJZIKQYHPJX-ZDUSSCGKSA-N 1 2 308.382 2.129 20 5 DEBDLO COCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835248037 649896364 /nfs/dbraw/zinc/89/63/64/649896364.db2.gz PZXHORCAWGQWEH-NSHDSACASA-N 1 2 319.317 2.362 20 5 DEBDLO Cc1nc([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)no1 ZINC000931948193 635841109 /nfs/dbraw/zinc/84/11/09/635841109.db2.gz IGPYKHJVXNYXDX-JTQLQIEISA-N 1 2 306.297 2.415 20 5 DEBDLO Cc1nc([C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)no1 ZINC000931948193 635841114 /nfs/dbraw/zinc/84/11/14/635841114.db2.gz IGPYKHJVXNYXDX-JTQLQIEISA-N 1 2 306.297 2.415 20 5 DEBDLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1nccc1[N+](=O)[O-])CC2 ZINC000755773214 639586403 /nfs/dbraw/zinc/58/64/03/639586403.db2.gz DWBPLLAKSYPWCB-UHFFFAOYSA-N 1 2 314.345 2.052 20 5 DEBDLO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1nccc1[N+](=O)[O-])CC2 ZINC000755773214 639586406 /nfs/dbraw/zinc/58/64/06/639586406.db2.gz DWBPLLAKSYPWCB-UHFFFAOYSA-N 1 2 314.345 2.052 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761087884 640267248 /nfs/dbraw/zinc/26/72/48/640267248.db2.gz CSKPDQLMEBFAGL-CWSCBRNRSA-N 1 2 305.334 2.025 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761087884 640267254 /nfs/dbraw/zinc/26/72/54/640267254.db2.gz CSKPDQLMEBFAGL-CWSCBRNRSA-N 1 2 305.334 2.025 20 5 DEBDLO CCOC(=O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000767877797 641028122 /nfs/dbraw/zinc/02/81/22/641028122.db2.gz XBCLTNZWUFKGCT-HNNXBMFYSA-N 1 2 322.361 2.046 20 5 DEBDLO CCOC(=O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000767877797 641028125 /nfs/dbraw/zinc/02/81/25/641028125.db2.gz XBCLTNZWUFKGCT-HNNXBMFYSA-N 1 2 322.361 2.046 20 5 DEBDLO CC1(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)OCCO1 ZINC000769399922 641233840 /nfs/dbraw/zinc/23/38/40/641233840.db2.gz YLHOGFVHGYHMCF-UHFFFAOYSA-N 1 2 322.361 2.275 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898507163 641685588 /nfs/dbraw/zinc/68/55/88/641685588.db2.gz LBIQOSOZWPYTRU-ZDUSSCGKSA-N 1 2 323.368 2.375 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898507163 641685592 /nfs/dbraw/zinc/68/55/92/641685592.db2.gz LBIQOSOZWPYTRU-ZDUSSCGKSA-N 1 2 323.368 2.375 20 5 DEBDLO CSc1cccc(C(=O)OCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000777322589 642253558 /nfs/dbraw/zinc/25/35/58/642253558.db2.gz BGIVSRAFRHBMDV-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO O=C1N(C[N@H+]2CC=CCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000778577458 642407782 /nfs/dbraw/zinc/40/77/82/642407782.db2.gz VICSCDFPKAWTQU-UHFFFAOYSA-N 1 2 302.334 2.056 20 5 DEBDLO O=C1N(C[N@@H+]2CC=CCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000778577458 642407786 /nfs/dbraw/zinc/40/77/86/642407786.db2.gz VICSCDFPKAWTQU-UHFFFAOYSA-N 1 2 302.334 2.056 20 5 DEBDLO O=C(OCC1(F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000789584957 643751570 /nfs/dbraw/zinc/75/15/70/643751570.db2.gz HIFABXNDYFGBQT-UHFFFAOYSA-N 1 2 305.265 2.439 20 5 DEBDLO C[C@H]1CCSCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794646909 644451630 /nfs/dbraw/zinc/45/16/30/644451630.db2.gz XSKGKMOPCLWEDR-JTQLQIEISA-N 1 2 323.374 2.288 20 5 DEBDLO C[C@H]1CCSCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794646909 644451636 /nfs/dbraw/zinc/45/16/36/644451636.db2.gz XSKGKMOPCLWEDR-JTQLQIEISA-N 1 2 323.374 2.288 20 5 DEBDLO CNC(=O)C1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000795954251 644664024 /nfs/dbraw/zinc/66/40/24/644664024.db2.gz HLICQPQBQPWEID-UHFFFAOYSA-N 1 2 313.304 2.021 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910027594 645288098 /nfs/dbraw/zinc/28/80/98/645288098.db2.gz LRGPQMHDSLHGIO-CABCVRRESA-N 1 2 315.329 2.218 20 5 DEBDLO C[C@@H](CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)n1cc[nH+]c1 ZINC000911473675 645713206 /nfs/dbraw/zinc/71/32/06/645713206.db2.gz VBADHUDYJTWUOO-VIFPVBQESA-N 1 2 324.287 2.337 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3C[C@@H]4C[C@H]3CS4)n2)cc1 ZINC000840168839 646214300 /nfs/dbraw/zinc/21/43/00/646214300.db2.gz NNSZUOSSWUNNED-STQMWFEESA-N 1 2 317.374 2.001 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3C[C@@H]4C[C@H]3CS4)n2)cc1 ZINC000840168839 646214304 /nfs/dbraw/zinc/21/43/04/646214304.db2.gz NNSZUOSSWUNNED-STQMWFEESA-N 1 2 317.374 2.001 20 5 DEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCCc1c[nH+]cn1C ZINC000830370228 649433634 /nfs/dbraw/zinc/43/36/34/649433634.db2.gz VXUQXVKHUGJZDG-UHFFFAOYSA-N 1 2 307.281 2.175 20 5 DEBDLO Cc1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc[nH+]1 ZINC000112496147 651533756 /nfs/dbraw/zinc/53/37/56/651533756.db2.gz FOJGNKDGLRTITK-UHFFFAOYSA-N 1 2 311.294 2.238 20 5 DEBDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850499472 651940528 /nfs/dbraw/zinc/94/05/28/651940528.db2.gz QFWQYMDKCZNZCM-AUTRQRHGSA-N 1 2 302.338 2.125 20 5 DEBDLO CSc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857981975 652229113 /nfs/dbraw/zinc/22/91/13/652229113.db2.gz KSAQIMBQIYXBNJ-SNVBAGLBSA-N 1 2 318.358 2.388 20 5 DEBDLO Cc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000852017887 652314790 /nfs/dbraw/zinc/31/47/90/652314790.db2.gz GGCHEZALTKHPBP-UHFFFAOYSA-N 1 2 320.305 2.474 20 5 DEBDLO Cc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000852017887 652314796 /nfs/dbraw/zinc/31/47/96/652314796.db2.gz GGCHEZALTKHPBP-UHFFFAOYSA-N 1 2 320.305 2.474 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]([NH3+])COC(C)C)n1 ZINC000854138992 652645816 /nfs/dbraw/zinc/64/58/16/652645816.db2.gz BJCPGSBDMPUHAH-LBPRGKRZSA-N 1 2 306.322 2.378 20 5 DEBDLO C[NH+](C)C1(C)CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000871360148 688779942 /nfs/dbraw/zinc/77/99/42/688779942.db2.gz JOSRYZWYOBEUQN-UHFFFAOYSA-N 1 2 321.377 2.293 20 5 DEBDLO CSC1CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000872627893 689052650 /nfs/dbraw/zinc/05/26/50/689052650.db2.gz LSFVRLDYWMWNPP-UHFFFAOYSA-N 1 2 323.374 2.288 20 5 DEBDLO CC(C)c1cc([C@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)[nH]n1 ZINC000872790149 689093944 /nfs/dbraw/zinc/09/39/44/689093944.db2.gz LOGMEHMQUORTIU-LBPRGKRZSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)[nH]n1 ZINC000872790149 689093949 /nfs/dbraw/zinc/09/39/49/689093949.db2.gz LOGMEHMQUORTIU-LBPRGKRZSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n[nH]1 ZINC000872790149 689093953 /nfs/dbraw/zinc/09/39/53/689093953.db2.gz LOGMEHMQUORTIU-LBPRGKRZSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n[nH]1 ZINC000872790149 689093958 /nfs/dbraw/zinc/09/39/58/689093958.db2.gz LOGMEHMQUORTIU-LBPRGKRZSA-N 1 2 318.381 2.475 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000876734272 689920709 /nfs/dbraw/zinc/92/07/09/689920709.db2.gz QTLOLKRHBVEIOR-NSHDSACASA-N 1 2 314.407 2.077 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000876734272 689920712 /nfs/dbraw/zinc/92/07/12/689920712.db2.gz QTLOLKRHBVEIOR-NSHDSACASA-N 1 2 314.407 2.077 20 5 DEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886040281 691990449 /nfs/dbraw/zinc/99/04/49/691990449.db2.gz VSNYPXBQHYSTTD-AWEZNQCLSA-N 1 2 301.350 2.369 20 5 DEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886040281 691990450 /nfs/dbraw/zinc/99/04/50/691990450.db2.gz VSNYPXBQHYSTTD-AWEZNQCLSA-N 1 2 301.350 2.369 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cs1 ZINC000886797309 692194009 /nfs/dbraw/zinc/19/40/09/692194009.db2.gz RICVBHYCQAHANK-JTQLQIEISA-N 1 2 310.297 2.403 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cs1 ZINC000886797309 692194012 /nfs/dbraw/zinc/19/40/12/692194012.db2.gz RICVBHYCQAHANK-JTQLQIEISA-N 1 2 310.297 2.403 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001347970970 1151110697 /nfs/dbraw/zinc/11/06/97/1151110697.db2.gz FRXNEQCTBYKFSX-UHFFFAOYSA-N 1 2 303.318 2.406 20 5 DEBDLO O=[N+]([O-])c1cnc(Cl)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167124216 776702161 /nfs/dbraw/zinc/70/21/61/776702161.db2.gz XMILVPZSVQULEO-UHFFFAOYSA-N 1 2 308.729 2.076 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC001143513107 778492468 /nfs/dbraw/zinc/49/24/68/778492468.db2.gz XXSSCXFWVBYTRC-NSHDSACASA-N 1 2 315.333 2.041 20 5 DEBDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC001170297747 786893054 /nfs/dbraw/zinc/89/30/54/786893054.db2.gz RHRCUMAMBBJDHU-NHYWBVRUSA-N 1 2 324.377 2.322 20 5 DEBDLO CCc1nocc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323314 794181904 /nfs/dbraw/zinc/18/19/04/794181904.db2.gz LDRLOAJOSFTKES-HNNXBMFYSA-N 1 2 305.334 2.143 20 5 DEBDLO Cn1c[nH+]cc1CCCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001122969340 795830504 /nfs/dbraw/zinc/83/05/04/795830504.db2.gz FXEAVHZHVDZRJJ-UHFFFAOYSA-N 1 2 303.318 2.047 20 5 DEBDLO CCN(CCn1cc[nH+]c1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001157466073 798211617 /nfs/dbraw/zinc/21/16/17/798211617.db2.gz GXTYAQNXCWRBRM-UHFFFAOYSA-N 1 2 312.333 2.261 20 5 DEBDLO Cc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001197815322 798247585 /nfs/dbraw/zinc/24/75/85/798247585.db2.gz JTDPEYNDAPLLPA-LLVKDONJSA-N 1 2 303.322 2.310 20 5 DEBDLO COc1cc[nH+]c(C(C)(C)CNc2ccc([N+](=O)[O-])c(N)n2)c1 ZINC001162130039 799016419 /nfs/dbraw/zinc/01/64/19/799016419.db2.gz VGSUCGNXVDJVJM-UHFFFAOYSA-N 1 2 317.349 2.365 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)c1 ZINC000933667189 800154382 /nfs/dbraw/zinc/15/43/82/800154382.db2.gz PFVVLBQOVLZYLL-GOEBONIOSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)c1 ZINC000933667189 800154386 /nfs/dbraw/zinc/15/43/86/800154386.db2.gz PFVVLBQOVLZYLL-GOEBONIOSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCCO2)c1 ZINC000933672720 800158777 /nfs/dbraw/zinc/15/87/77/800158777.db2.gz RKLSDLSXXDTBMC-HZPDHXFCSA-N 1 2 306.362 2.365 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C[C@H]2CCCO2)c1 ZINC000933672720 800158779 /nfs/dbraw/zinc/15/87/79/800158779.db2.gz RKLSDLSXXDTBMC-HZPDHXFCSA-N 1 2 306.362 2.365 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(OC2C[NH+](C(C)(C)C)C2)c1 ZINC001227047667 803192340 /nfs/dbraw/zinc/19/23/40/803192340.db2.gz VCSXHXRKSPOWSW-UHFFFAOYSA-N 1 2 308.334 2.243 20 5 DEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(F)cncc3F)CC2)n1 ZINC001334223198 1150238429 /nfs/dbraw/zinc/23/84/29/1150238429.db2.gz CFWGIEIHGVDXGZ-UHFFFAOYSA-N 1 2 323.303 2.302 20 5 DEBDLO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1noc(C)n1 ZINC001459934731 1058236248 /nfs/dbraw/zinc/23/62/48/1058236248.db2.gz MNCKADXFWRBKRC-CHWSQXEVSA-N 1 2 306.322 2.061 20 5 DEBDLO CNc1cc(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001466678765 1059515723 /nfs/dbraw/zinc/51/57/23/1059515723.db2.gz JCRCTHGVHJZKFG-UHFFFAOYSA-N 1 2 319.296 2.492 20 5 DEBDLO C[NH+](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(Cl)c1 ZINC001471842347 1060323689 /nfs/dbraw/zinc/32/36/89/1060323689.db2.gz WWOQDBDUJUIFFC-GFCCVEGCSA-N 1 2 323.740 2.213 20 5 DEBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC001472575600 1060540116 /nfs/dbraw/zinc/54/01/16/1060540116.db2.gz QHBCSOZKLGKXOV-UHFFFAOYSA-N 1 2 306.709 2.101 20 5 DEBDLO CCOC(=O)N1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001474400627 1060861587 /nfs/dbraw/zinc/86/15/87/1060861587.db2.gz CPWIQKYFYPTTHX-UHFFFAOYSA-N 1 2 321.377 2.486 20 5 DEBDLO COC(=O)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC001620613786 1078165777 /nfs/dbraw/zinc/16/57/77/1078165777.db2.gz QDAHVMOOYMSAFO-ZDUSSCGKSA-N 1 2 310.350 2.368 20 5 DEBDLO Nc1[nH+]cccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC001642703002 1078766021 /nfs/dbraw/zinc/76/60/21/1078766021.db2.gz ZSVDAYIDJHYZJL-UHFFFAOYSA-N 1 2 324.138 2.342 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603056 1075101054 /nfs/dbraw/zinc/10/10/54/1075101054.db2.gz IRQPSNFZPIQCLS-NEPJUHHUSA-N 1 2 316.361 2.416 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603056 1075101057 /nfs/dbraw/zinc/10/10/57/1075101057.db2.gz IRQPSNFZPIQCLS-NEPJUHHUSA-N 1 2 316.361 2.416 20 5 DEBDLO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1noc(C)n1 ZINC001559736555 1075128178 /nfs/dbraw/zinc/12/81/78/1075128178.db2.gz OAMMEAUZQIWREL-QWHCGFSZSA-N 1 2 306.322 2.061 20 5 DEBDLO COc1c(O)ccc(C[NH2+]Cc2cc(C3CC3)no2)c1[N+](=O)[O-] ZINC001561003325 1075149329 /nfs/dbraw/zinc/14/93/29/1075149329.db2.gz BVZYBYMEKJBBOJ-UHFFFAOYSA-N 1 2 319.317 2.464 20 5 DEBDLO Cc1cncnc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001336917812 1142631226 /nfs/dbraw/zinc/63/12/26/1142631226.db2.gz ADZQNMKQBCBIHD-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C2CC2)CC1 ZINC001254563064 1143248147 /nfs/dbraw/zinc/24/81/47/1143248147.db2.gz SGBPKKVOXXSCNR-ZDUSSCGKSA-N 1 2 317.389 2.080 20 5 DEBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572427 1143257806 /nfs/dbraw/zinc/25/78/06/1143257806.db2.gz MYGNZJWROLTDID-ZFWWWQNUSA-N 1 2 306.362 2.239 20 5 DEBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001307218147 1147407601 /nfs/dbraw/zinc/40/76/01/1147407601.db2.gz DPESCWXVKDFTCL-UHFFFAOYSA-N 1 2 307.741 2.279 20 5 DEBDLO Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC001353486165 1151833304 /nfs/dbraw/zinc/83/33/04/1151833304.db2.gz NFYNNSSLWGPVSV-LLVKDONJSA-N 1 2 300.318 2.301 20 5 DEBDLO C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173118203 282186168 /nfs/dbraw/zinc/18/61/68/282186168.db2.gz KWTIXIJJRBHUTL-LLVKDONJSA-N 1 2 300.318 2.405 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cc[nH+]cc2C)n1 ZINC000286629078 219092222 /nfs/dbraw/zinc/09/22/22/219092222.db2.gz WNGSHDBOBXXMSY-UHFFFAOYSA-N 1 2 316.317 2.134 20 5 DEBDLO Cc1noc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492620 358463672 /nfs/dbraw/zinc/46/36/72/358463672.db2.gz XVGUPGONKVVHMY-BXUZGUMPSA-N 1 2 307.350 2.425 20 5 DEBDLO Cc1noc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595492620 358463676 /nfs/dbraw/zinc/46/36/76/358463676.db2.gz XVGUPGONKVVHMY-BXUZGUMPSA-N 1 2 307.350 2.425 20 5 DEBDLO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182046605 199378963 /nfs/dbraw/zinc/37/89/63/199378963.db2.gz DIASRFUAVULCOW-UHFFFAOYSA-N 1 2 318.333 2.016 20 5 DEBDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595536106 358476887 /nfs/dbraw/zinc/47/68/87/358476887.db2.gz VPPSDVFTZXXNSV-UHFFFAOYSA-N 1 2 304.325 2.416 20 5 DEBDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595536106 358476893 /nfs/dbraw/zinc/47/68/93/358476893.db2.gz VPPSDVFTZXXNSV-UHFFFAOYSA-N 1 2 304.325 2.416 20 5 DEBDLO Cc1cc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000032491032 354150117 /nfs/dbraw/zinc/15/01/17/354150117.db2.gz XXVQXSYLFGDJBN-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO Cc1cc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000032491032 354150118 /nfs/dbraw/zinc/15/01/18/354150118.db2.gz XXVQXSYLFGDJBN-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052954431 354417688 /nfs/dbraw/zinc/41/76/88/354417688.db2.gz RSXBLDPVUALENQ-UHFFFAOYSA-N 1 2 313.317 2.082 20 5 DEBDLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000056357479 354529976 /nfs/dbraw/zinc/52/99/76/354529976.db2.gz WVVYVKHSPFXMPH-UHFFFAOYSA-N 1 2 303.322 2.393 20 5 DEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556308 355092975 /nfs/dbraw/zinc/09/29/75/355092975.db2.gz UVPDYJIHCKSOOH-CYBMUJFWSA-N 1 2 314.345 2.267 20 5 DEBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000590562713 357557963 /nfs/dbraw/zinc/55/79/63/357557963.db2.gz XGTSGRLVTISXBZ-MRVPVSSYSA-N 1 2 308.725 2.391 20 5 DEBDLO COc1cc(C[NH+]2CC(C(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000590968824 357655243 /nfs/dbraw/zinc/65/52/43/357655243.db2.gz VERVYLBREJIXSN-UHFFFAOYSA-N 1 2 302.277 2.309 20 5 DEBDLO O=C1NCCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591183997 357686916 /nfs/dbraw/zinc/68/69/16/357686916.db2.gz WWFPMXOIFVKMAT-LLVKDONJSA-N 1 2 300.318 2.081 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593056837 357997333 /nfs/dbraw/zinc/99/73/33/357997333.db2.gz AVABGRCMMHLTAI-UONOGXRCSA-N 1 2 321.377 2.083 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593056837 357997337 /nfs/dbraw/zinc/99/73/37/357997337.db2.gz AVABGRCMMHLTAI-UONOGXRCSA-N 1 2 321.377 2.083 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593169365 358026249 /nfs/dbraw/zinc/02/62/49/358026249.db2.gz UAJIQHFGFYRWGG-SNVBAGLBSA-N 1 2 320.324 2.370 20 5 DEBDLO Cc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594512648 358286867 /nfs/dbraw/zinc/28/68/67/358286867.db2.gz VHSRLLIQVVCNDI-ZDUSSCGKSA-N 1 2 317.349 2.163 20 5 DEBDLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000594512854 358287410 /nfs/dbraw/zinc/28/74/10/358287410.db2.gz SASWDAXZDWXFMA-GXFFZTMASA-N 1 2 317.349 2.415 20 5 DEBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1[N+](=O)[O-] ZINC000595082465 358387453 /nfs/dbraw/zinc/38/74/53/358387453.db2.gz OGZMUIPWUYHOHJ-VIFPVBQESA-N 1 2 320.374 2.309 20 5 DEBDLO Cc1noc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595286051 358411858 /nfs/dbraw/zinc/41/18/58/358411858.db2.gz BKBMIYSSAUMSQL-UHFFFAOYSA-N 1 2 319.317 2.294 20 5 DEBDLO Cc1noc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595286051 358411863 /nfs/dbraw/zinc/41/18/63/358411863.db2.gz BKBMIYSSAUMSQL-UHFFFAOYSA-N 1 2 319.317 2.294 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430663 358685002 /nfs/dbraw/zinc/68/50/02/358685002.db2.gz MSQLVGOFGWFQJL-VHSXEESVSA-N 1 2 314.773 2.164 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430663 358685003 /nfs/dbraw/zinc/68/50/03/358685003.db2.gz MSQLVGOFGWFQJL-VHSXEESVSA-N 1 2 314.773 2.164 20 5 DEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464998 359208834 /nfs/dbraw/zinc/20/88/34/359208834.db2.gz NDYBKXWZGCVTBY-SNVBAGLBSA-N 1 2 318.333 2.218 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccn1 ZINC000598621651 359264061 /nfs/dbraw/zinc/26/40/61/359264061.db2.gz WVTRANVPFLVDQA-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO CCn1nncc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599062417 359393351 /nfs/dbraw/zinc/39/33/51/359393351.db2.gz PQNQUZWBPMHZHF-JTQLQIEISA-N 1 2 305.338 2.066 20 5 DEBDLO COCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602437946 360372817 /nfs/dbraw/zinc/37/28/17/360372817.db2.gz LSKSHHSAGNHBHT-UHFFFAOYSA-N 1 2 309.185 2.497 20 5 DEBDLO COCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602437946 360372818 /nfs/dbraw/zinc/37/28/18/360372818.db2.gz LSKSHHSAGNHBHT-UHFFFAOYSA-N 1 2 309.185 2.497 20 5 DEBDLO O=[N+]([O-])c1c(N2CCC[C@H](n3cc[nH+]c3)C2)nc2sccn21 ZINC000609132912 361281435 /nfs/dbraw/zinc/28/14/35/361281435.db2.gz TVDUZHKIVXBTSL-JTQLQIEISA-N 1 2 318.362 2.342 20 5 DEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610239752 361372023 /nfs/dbraw/zinc/37/20/23/361372023.db2.gz QKXGSZZVVLNKFM-OAHLLOKOSA-N 1 2 314.345 2.198 20 5 DEBDLO Cn1cc[nH+]c1[C@@H](NCc1cocn1)c1ccc([N+](=O)[O-])cc1 ZINC000611560926 361632348 /nfs/dbraw/zinc/63/23/48/361632348.db2.gz NHQLCNVYSBHTKZ-AWEZNQCLSA-N 1 2 313.317 2.196 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000275289658 212251544 /nfs/dbraw/zinc/25/15/44/212251544.db2.gz WYCOLBGTJSUWMA-UHFFFAOYSA-N 1 2 309.391 2.139 20 5 DEBDLO COc1ccc(OCC[N@H+](C)Cc2ccon2)c([N+](=O)[O-])c1 ZINC000266502415 205392332 /nfs/dbraw/zinc/39/23/32/205392332.db2.gz APFVIDKWCBRCNC-UHFFFAOYSA-N 1 2 307.306 2.102 20 5 DEBDLO COc1ccc(OCC[N@@H+](C)Cc2ccon2)c([N+](=O)[O-])c1 ZINC000266502415 205392336 /nfs/dbraw/zinc/39/23/36/205392336.db2.gz APFVIDKWCBRCNC-UHFFFAOYSA-N 1 2 307.306 2.102 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000456335571 247094447 /nfs/dbraw/zinc/09/44/47/247094447.db2.gz AGKHDYQRIVCSCK-JTQLQIEISA-N 1 2 318.333 2.311 20 5 DEBDLO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000273662782 210961697 /nfs/dbraw/zinc/96/16/97/210961697.db2.gz WIIATDRJXOGXDA-GFCCVEGCSA-N 1 2 323.303 2.378 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302774968 285095274 /nfs/dbraw/zinc/09/52/74/285095274.db2.gz OICVOMZZAOXBLB-AWEZNQCLSA-N 1 2 320.324 2.407 20 5 DEBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000156282399 197100929 /nfs/dbraw/zinc/10/09/29/197100929.db2.gz JMBYRXRXCSFOGQ-RYUDHWBXSA-N 1 2 310.350 2.091 20 5 DEBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000156282399 197100931 /nfs/dbraw/zinc/10/09/31/197100931.db2.gz JMBYRXRXCSFOGQ-RYUDHWBXSA-N 1 2 310.350 2.091 20 5 DEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000289949139 221336332 /nfs/dbraw/zinc/33/63/32/221336332.db2.gz VVVFSUFVMMTTBV-MLGOLLRUSA-N 1 2 323.368 2.029 20 5 DEBDLO O=C(NCCCn1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357611398 133088403 /nfs/dbraw/zinc/08/84/03/133088403.db2.gz GMOHPODZEQPYQB-UHFFFAOYSA-N 1 2 314.301 2.358 20 5 DEBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000360043170 133158936 /nfs/dbraw/zinc/15/89/36/133158936.db2.gz UYYCSJUTFAURIS-UHFFFAOYSA-N 1 2 311.301 2.039 20 5 DEBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000360044099 133159231 /nfs/dbraw/zinc/15/92/31/133159231.db2.gz HTZBWUQXZVDELJ-UHFFFAOYSA-N 1 2 311.301 2.039 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373054174 133375655 /nfs/dbraw/zinc/37/56/55/133375655.db2.gz FRIRMXDTHPKERD-CYBMUJFWSA-N 1 2 314.345 2.348 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000346569308 146103327 /nfs/dbraw/zinc/10/33/27/146103327.db2.gz RQLXYYVMCRCSLM-UHFFFAOYSA-N 1 2 317.349 2.169 20 5 DEBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127947655 401756783 /nfs/dbraw/zinc/75/67/83/401756783.db2.gz BBHKTBXKDLQBLH-NSHDSACASA-N 1 2 314.345 2.282 20 5 DEBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127947655 401756785 /nfs/dbraw/zinc/75/67/85/401756785.db2.gz BBHKTBXKDLQBLH-NSHDSACASA-N 1 2 314.345 2.282 20 5 DEBDLO Cc1c(C[NH+]2CCN(Cc3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000075857686 401771296 /nfs/dbraw/zinc/77/12/96/401771296.db2.gz ZLTFYCNYYHTCPF-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606936 401934046 /nfs/dbraw/zinc/93/40/46/401934046.db2.gz YBEZPEQTBHANGK-ZDUSSCGKSA-N 1 2 317.389 2.354 20 5 DEBDLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606936 401934047 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DEBDLO CCOC(=O)C[N@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153781921 402170447 /nfs/dbraw/zinc/17/04/47/402170447.db2.gz LKKRLLZEIBDALC-HNNXBMFYSA-N 1 2 324.377 2.149 20 5 DEBDLO CCOC(=O)C[N@@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153781921 402170449 /nfs/dbraw/zinc/17/04/49/402170449.db2.gz LKKRLLZEIBDALC-HNNXBMFYSA-N 1 2 324.377 2.149 20 5 DEBDLO COc1cc(OCC(=O)Nc2cc[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000107293824 402229225 /nfs/dbraw/zinc/22/92/25/402229225.db2.gz OKFSTSKJJXUQPT-UHFFFAOYSA-N 1 2 317.301 2.324 20 5 DEBDLO CC[N@H+](Cc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000125385409 402229435 /nfs/dbraw/zinc/22/94/35/402229435.db2.gz ZQRFGHMWYRCEEE-UHFFFAOYSA-N 1 2 314.345 2.111 20 5 DEBDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000125385409 402229437 /nfs/dbraw/zinc/22/94/37/402229437.db2.gz ZQRFGHMWYRCEEE-UHFFFAOYSA-N 1 2 314.345 2.111 20 5 DEBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](c2ccccc2)CO1 ZINC000176286735 402296935 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Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCn3c[nH+]cc32)c1F ZINC000857979588 652228144 /nfs/dbraw/zinc/22/81/44/652228144.db2.gz WSPQRHYROMVIEM-QMMMGPOBSA-N 1 2 322.271 2.253 20 5 DEBDLO C[C@H]1CN(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000851869345 652266060 /nfs/dbraw/zinc/26/60/60/652266060.db2.gz DQMAZEWHRLDKEO-KBPBESRZSA-N 1 2 319.405 2.062 20 5 DEBDLO C[C@H]1CN(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000851869345 652266063 /nfs/dbraw/zinc/26/60/63/652266063.db2.gz DQMAZEWHRLDKEO-KBPBESRZSA-N 1 2 319.405 2.062 20 5 DEBDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930126764 694096422 /nfs/dbraw/zinc/09/64/22/694096422.db2.gz SLDLGDSXQNPYLH-KWQFWETISA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930126764 694096426 /nfs/dbraw/zinc/09/64/26/694096426.db2.gz SLDLGDSXQNPYLH-KWQFWETISA-N 1 2 315.167 2.312 20 5 DEBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865972896 687396997 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DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619769 690689375 /nfs/dbraw/zinc/68/93/75/690689375.db2.gz BKAITUBFIPTJJO-RYUDHWBXSA-N 1 2 321.377 2.015 20 5 DEBDLO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000882129959 691222211 /nfs/dbraw/zinc/22/22/11/691222211.db2.gz JCLHASPQRDIKNU-SNVBAGLBSA-N 1 2 303.297 2.215 20 5 DEBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886201880 692022364 /nfs/dbraw/zinc/02/23/64/692022364.db2.gz VDRXVGCXVFNKCV-CYBMUJFWSA-N 1 2 322.365 2.090 20 5 DEBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886201880 692022366 /nfs/dbraw/zinc/02/23/66/692022366.db2.gz VDRXVGCXVFNKCV-CYBMUJFWSA-N 1 2 322.365 2.090 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886796737 692193095 /nfs/dbraw/zinc/19/30/95/692193095.db2.gz ISDASSFZOPUOJS-GFCCVEGCSA-N 1 2 322.258 2.481 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886796737 692193098 /nfs/dbraw/zinc/19/30/98/692193098.db2.gz ISDASSFZOPUOJS-GFCCVEGCSA-N 1 2 322.258 2.481 20 5 DEBDLO CN(C)C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001335460809 1150422665 /nfs/dbraw/zinc/42/26/65/1150422665.db2.gz RITNKCVGDSNCRA-LBPRGKRZSA-N 1 2 305.300 2.174 20 5 DEBDLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC001353099083 1151809949 /nfs/dbraw/zinc/80/99/49/1151809949.db2.gz ZVQCKBOCGIZRJM-LBPRGKRZSA-N 1 2 316.361 2.181 20 5 DEBDLO Cn1cc[nH+]c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001353239283 1151819010 /nfs/dbraw/zinc/81/90/10/1151819010.db2.gz IWRBGXDQTDAKDM-UHFFFAOYSA-N 1 2 314.301 2.047 20 5 DEBDLO Cc1c(C(=O)OCCCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC001123063736 782850939 /nfs/dbraw/zinc/85/09/39/782850939.db2.gz ACPSPCKNINKQOI-UHFFFAOYSA-N 1 2 303.318 2.426 20 5 DEBDLO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1noc(C)n1 ZINC001169111491 785056795 /nfs/dbraw/zinc/05/67/95/785056795.db2.gz JPJVYGWWKLBVQF-NSHDSACASA-N 1 2 306.322 2.406 20 5 DEBDLO COc1ccc(C[C@H](C)[NH+]2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170330063 786911756 /nfs/dbraw/zinc/91/17/56/786911756.db2.gz XPULTOAXPXLXCW-ZDUSSCGKSA-N 1 2 319.405 2.314 20 5 DEBDLO CCc1[nH]c(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC001178669080 794967952 /nfs/dbraw/zinc/96/79/52/794967952.db2.gz CKWYRBCLXJEASN-SECBINFHSA-N 1 2 320.324 2.439 20 5 DEBDLO CCc1[nH]cc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001178669080 794967956 /nfs/dbraw/zinc/96/79/56/794967956.db2.gz CKWYRBCLXJEASN-SECBINFHSA-N 1 2 320.324 2.439 20 5 DEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001120064497 795400906 /nfs/dbraw/zinc/40/09/06/795400906.db2.gz RWXGTNPQLNOIIJ-LBPRGKRZSA-N 1 2 320.393 2.086 20 5 DEBDLO [NH3+][C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001121872005 795698224 /nfs/dbraw/zinc/69/82/24/795698224.db2.gz GTMCWEDHVKIMJP-LBPRGKRZSA-N 1 2 315.320 2.016 20 5 DEBDLO CCNc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c[nH+]1 ZINC001187920683 796603073 /nfs/dbraw/zinc/60/30/73/796603073.db2.gz JOOFOWNGQSPBSV-UHFFFAOYSA-N 1 2 301.306 2.264 20 5 DEBDLO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1C[NH2+]CC1(F)F ZINC001218231174 802157890 /nfs/dbraw/zinc/15/78/90/802157890.db2.gz HZLMYBDTPDVTRS-VIFPVBQESA-N 1 2 323.093 2.343 20 5 DEBDLO Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)ncc1[N+](=O)[O-] ZINC001611896207 1078106524 /nfs/dbraw/zinc/10/65/24/1078106524.db2.gz RLIQFAAKVDGJMY-UHFFFAOYSA-N 1 2 310.317 2.491 20 5 DEBDLO Cc1c[nH+]cc(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001616245891 1078129998 /nfs/dbraw/zinc/12/99/98/1078129998.db2.gz DEGGXBBOYZSICZ-UHFFFAOYSA-N 1 2 301.302 2.046 20 5 DEBDLO Cn1cc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC001639300010 1078606682 /nfs/dbraw/zinc/60/66/82/1078606682.db2.gz VIFVIWRCDZPVGU-UHFFFAOYSA-N 1 2 316.365 2.326 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1Cl ZINC001557693426 1075071658 /nfs/dbraw/zinc/07/16/58/1075071658.db2.gz OREIHIHWNYMKIL-VIFPVBQESA-N 1 2 306.709 2.320 20 5 DEBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001559273094 1075117557 /nfs/dbraw/zinc/11/75/57/1075117557.db2.gz YPUDSOGBBIMJTQ-LLVKDONJSA-N 1 2 324.337 2.026 20 5 DEBDLO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001559273094 1075117559 /nfs/dbraw/zinc/11/75/59/1075117559.db2.gz YPUDSOGBBIMJTQ-LLVKDONJSA-N 1 2 324.337 2.026 20 5 DEBDLO CNc1cc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001651438450 1079810681 /nfs/dbraw/zinc/81/06/81/1079810681.db2.gz KKOIAIWUQNRZJI-UHFFFAOYSA-N 1 2 316.317 2.430 20 5 DEBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCF)C1 ZINC001651989225 1079844877 /nfs/dbraw/zinc/84/48/77/1079844877.db2.gz LYGZPMLTZKTFCF-JTQLQIEISA-N 1 2 312.301 2.349 20 5 DEBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC001651989225 1079844882 /nfs/dbraw/zinc/84/48/82/1079844882.db2.gz LYGZPMLTZKTFCF-JTQLQIEISA-N 1 2 312.301 2.349 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001658923744 1080222735 /nfs/dbraw/zinc/22/27/35/1080222735.db2.gz PZPOIXFTHHQYQD-GDBMZVCRSA-N 1 2 317.389 2.455 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001658923744 1080222745 /nfs/dbraw/zinc/22/27/45/1080222745.db2.gz PZPOIXFTHHQYQD-GDBMZVCRSA-N 1 2 317.389 2.455 20 5 DEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001254553288 1143245672 /nfs/dbraw/zinc/24/56/72/1143245672.db2.gz UPLFMHOABBOMLX-CQDKDKBSSA-N 1 2 314.332 2.270 20 5 DEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001254553288 1143245680 /nfs/dbraw/zinc/24/56/80/1143245680.db2.gz UPLFMHOABBOMLX-CQDKDKBSSA-N 1 2 314.332 2.270 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(N3CCC(F)(F)C3)C1)C2 ZINC001254604058 1143277885 /nfs/dbraw/zinc/27/78/85/1143277885.db2.gz UDIOWVHOODUGNC-CQSZACIVSA-N 1 2 323.343 2.087 20 5 DEBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000612346543 361800099 /nfs/dbraw/zinc/80/00/99/361800099.db2.gz WDXBLRLRGRRHDT-UHFFFAOYSA-N 1 2 319.296 2.029 20 5 DEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1CCCCC1 ZINC000153193163 282164497 /nfs/dbraw/zinc/16/44/97/282164497.db2.gz ZRVLGJGBXYZKNH-UHFFFAOYSA-N 1 2 317.389 2.402 20 5 DEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1CCCCC1 ZINC000153193163 282164499 /nfs/dbraw/zinc/16/44/99/282164499.db2.gz ZRVLGJGBXYZKNH-UHFFFAOYSA-N 1 2 317.389 2.402 20 5 DEBDLO CCc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427990876 529609373 /nfs/dbraw/zinc/60/93/73/529609373.db2.gz DIBNMLNZVUOUPY-ZDUSSCGKSA-N 1 2 314.345 2.099 20 5 DEBDLO CNC(=O)[C@H]1CCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413217221 529925017 /nfs/dbraw/zinc/92/50/17/529925017.db2.gz YBFBUCNXOXVAKI-JSGCOSHPSA-N 1 2 314.345 2.470 20 5 DEBDLO O=[N+]([O-])c1ccccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000026717253 354084818 /nfs/dbraw/zinc/08/48/18/354084818.db2.gz SOKPQCNVOQOEFL-UHFFFAOYSA-N 1 2 314.345 2.439 20 5 DEBDLO CN(C(=O)C[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000030276618 354122203 /nfs/dbraw/zinc/12/22/03/354122203.db2.gz DNKGOYXNMGUAHC-UHFFFAOYSA-N 1 2 303.318 2.283 20 5 DEBDLO CN(C(=O)C[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000030276618 354122207 /nfs/dbraw/zinc/12/22/07/354122207.db2.gz DNKGOYXNMGUAHC-UHFFFAOYSA-N 1 2 303.318 2.283 20 5 DEBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1csc([N+](=O)[O-])c1 ZINC000044465426 354236405 /nfs/dbraw/zinc/23/64/05/354236405.db2.gz ORHNZEBYMOCOOR-UHFFFAOYSA-N 1 2 316.342 2.277 20 5 DEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000067744021 354776215 /nfs/dbraw/zinc/77/62/15/354776215.db2.gz MEMGKRBQBKGQGD-UHFFFAOYSA-N 1 2 311.341 2.340 20 5 DEBDLO O=C(N[C@H]1CC[C@@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360360729 540104538 /nfs/dbraw/zinc/10/45/38/540104538.db2.gz KJRUIOFZEHZEPD-NEPJUHHUSA-N 1 2 318.308 2.401 20 5 DEBDLO COc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC000276969684 213209850 /nfs/dbraw/zinc/20/98/50/213209850.db2.gz OQSRCVYSVNKYBH-UHFFFAOYSA-N 1 2 319.365 2.240 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC[C@H]3C3CC3)nc2c1 ZINC000090007560 355552752 /nfs/dbraw/zinc/55/27/52/355552752.db2.gz RYLIUSTXPLHKSO-ZDUSSCGKSA-N 1 2 303.318 2.347 20 5 DEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC[C@H]3C3CC3)nc2c1 ZINC000090007560 355552756 /nfs/dbraw/zinc/55/27/56/355552756.db2.gz RYLIUSTXPLHKSO-ZDUSSCGKSA-N 1 2 303.318 2.347 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092966988 355659461 /nfs/dbraw/zinc/65/94/61/355659461.db2.gz RGHCPUNKRIYBSA-CYBMUJFWSA-N 1 2 302.334 2.334 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092966988 355659465 /nfs/dbraw/zinc/65/94/65/355659465.db2.gz RGHCPUNKRIYBSA-CYBMUJFWSA-N 1 2 302.334 2.334 20 5 DEBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092456414 355633966 /nfs/dbraw/zinc/63/39/66/355633966.db2.gz OPUISMZFKDTJOG-NSHDSACASA-N 1 2 308.334 2.076 20 5 DEBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092456414 355633970 /nfs/dbraw/zinc/63/39/70/355633970.db2.gz OPUISMZFKDTJOG-NSHDSACASA-N 1 2 308.334 2.076 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000290657716 356379273 /nfs/dbraw/zinc/37/92/73/356379273.db2.gz FZJAXRHLUMVYKI-NSHDSACASA-N 1 2 317.349 2.197 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000618448483 363496970 /nfs/dbraw/zinc/49/69/70/363496970.db2.gz PJPVSKPPAJMXLP-UHFFFAOYSA-N 1 2 313.313 2.202 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000589260784 357459561 /nfs/dbraw/zinc/45/95/61/357459561.db2.gz FZIIHQBHNJDMEY-AOOOYVTPSA-N 1 2 300.318 2.167 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000589260784 357459564 /nfs/dbraw/zinc/45/95/64/357459564.db2.gz FZIIHQBHNJDMEY-AOOOYVTPSA-N 1 2 300.318 2.167 20 5 DEBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000611409029 540268293 /nfs/dbraw/zinc/26/82/93/540268293.db2.gz FBPBFTHLSVFWFR-MRVPVSSYSA-N 1 2 318.333 2.149 20 5 DEBDLO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062362 357998496 /nfs/dbraw/zinc/99/84/96/357998496.db2.gz FSNWDZDHLXIMMH-OLZOCXBDSA-N 1 2 324.377 2.482 20 5 DEBDLO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062362 357998500 /nfs/dbraw/zinc/99/85/00/357998500.db2.gz FSNWDZDHLXIMMH-OLZOCXBDSA-N 1 2 324.377 2.482 20 5 DEBDLO Cn1c(Cl)cnc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000179877392 199091130 /nfs/dbraw/zinc/09/11/30/199091130.db2.gz HVNGRMPOWZWAMR-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000179877392 199091132 /nfs/dbraw/zinc/09/11/32/199091132.db2.gz HVNGRMPOWZWAMR-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO CO[C@@]1(C)C[C@H]1[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595105359 358390353 /nfs/dbraw/zinc/39/03/53/358390353.db2.gz FFGNLNQTZDHGJV-YCPHGPKFSA-N 1 2 316.361 2.185 20 5 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ZINC000932344672 694597407 /nfs/dbraw/zinc/59/74/07/694597407.db2.gz UOFQGAYWZBLRCL-VXGBXAGGSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C)CC1 ZINC000932344672 694597410 /nfs/dbraw/zinc/59/74/10/694597410.db2.gz UOFQGAYWZBLRCL-VXGBXAGGSA-N 1 2 307.350 2.033 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933678791 777205203 /nfs/dbraw/zinc/20/52/03/777205203.db2.gz IYMMVHODHASWOA-LSDHHAIUSA-N 1 2 306.362 2.365 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933678791 777205209 /nfs/dbraw/zinc/20/52/09/777205209.db2.gz IYMMVHODHASWOA-LSDHHAIUSA-N 1 2 306.362 2.365 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000825157435 783618644 /nfs/dbraw/zinc/61/86/44/783618644.db2.gz OTGWETHQFYEZBQ-UHFFFAOYSA-N 1 2 302.334 2.265 20 5 DEBDLO COc1ccnc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC001169000539 784997925 /nfs/dbraw/zinc/99/79/25/784997925.db2.gz OVZSPYVYNLFAMD-UHFFFAOYSA-N 1 2 313.317 2.301 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncnc3cc4ccccc4cc32)C[NH2+]1 ZINC001169130574 785050207 /nfs/dbraw/zinc/05/02/07/785050207.db2.gz QJXBOVVCTRVAAK-CJNGLKHVSA-N 1 2 322.368 2.098 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2CCO)cc1F ZINC000689224968 787709806 /nfs/dbraw/zinc/70/98/06/787709806.db2.gz ALBGPBCCNCONNU-NSHDSACASA-N 1 2 300.355 2.034 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1F ZINC000689224968 787709810 /nfs/dbraw/zinc/70/98/10/787709810.db2.gz ALBGPBCCNCONNU-NSHDSACASA-N 1 2 300.355 2.034 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC3(CC(O)C3)C2)c1F ZINC001173185836 793622088 /nfs/dbraw/zinc/62/20/88/793622088.db2.gz POOXXCCUIPZXLQ-SNVBAGLBSA-N 1 2 324.352 2.130 20 5 DEBDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001175183556 794157222 /nfs/dbraw/zinc/15/72/22/794157222.db2.gz JYORRBXVHSYCMO-LLVKDONJSA-N 1 2 317.349 2.085 20 5 DEBDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001175183556 794157226 /nfs/dbraw/zinc/15/72/26/794157226.db2.gz JYORRBXVHSYCMO-LLVKDONJSA-N 1 2 317.349 2.085 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c[nH+]1 ZINC001178670454 794969322 /nfs/dbraw/zinc/96/93/22/794969322.db2.gz ZTHCOBXFEXEOEM-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)[nH+]1 ZINC001178670454 794969325 /nfs/dbraw/zinc/96/93/25/794969325.db2.gz ZTHCOBXFEXEOEM-UHFFFAOYSA-N 1 2 308.725 2.464 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nc(C(N)=O)cs1 ZINC001179183795 795067666 /nfs/dbraw/zinc/06/76/66/795067666.db2.gz PIDPHDCTVVJHRB-UHFFFAOYSA-N 1 2 320.374 2.057 20 5 DEBDLO Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)o2)cc1[N+](=O)[O-] ZINC001179386243 795110868 /nfs/dbraw/zinc/11/08/68/795110868.db2.gz JAPAFLJCEIJMHT-UHFFFAOYSA-N 1 2 324.358 2.190 20 5 DEBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118311658 795176116 /nfs/dbraw/zinc/17/61/16/795176116.db2.gz GUPRBILOFKYWLA-JTQLQIEISA-N 1 2 300.318 2.039 20 5 DEBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118311658 795176119 /nfs/dbraw/zinc/17/61/19/795176119.db2.gz GUPRBILOFKYWLA-JTQLQIEISA-N 1 2 300.318 2.039 20 5 DEBDLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001159795998 798610008 /nfs/dbraw/zinc/61/00/08/798610008.db2.gz UZOWWMLRZCHFEE-GHMZBOCLSA-N 1 2 314.345 2.473 20 5 DEBDLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC001159795998 798610013 /nfs/dbraw/zinc/61/00/13/798610013.db2.gz UZOWWMLRZCHFEE-GHMZBOCLSA-N 1 2 314.345 2.473 20 5 DEBDLO Nc1[nH+]cccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001163327392 799311691 /nfs/dbraw/zinc/31/16/91/799311691.db2.gz UBPQAGBKTATBHY-UHFFFAOYSA-N 1 2 313.317 2.069 20 5 DEBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CCF)CC2)c1 ZINC001165102389 799651352 /nfs/dbraw/zinc/65/13/52/799651352.db2.gz IOUOQGUUQNHFGU-UHFFFAOYSA-N 1 2 304.325 2.235 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCCNC(=O)[C@H]2CC)ccc1[N+](=O)[O-] ZINC000933215613 800044009 /nfs/dbraw/zinc/04/40/09/800044009.db2.gz DUICEKVRGCNACR-CYBMUJFWSA-N 1 2 321.377 2.094 20 5 DEBDLO CCOc1cc(C[N@H+]2CCCNC(=O)[C@H]2CC)ccc1[N+](=O)[O-] ZINC000933215613 800044021 /nfs/dbraw/zinc/04/40/21/800044021.db2.gz DUICEKVRGCNACR-CYBMUJFWSA-N 1 2 321.377 2.094 20 5 DEBDLO C[N@@H+]1CCO[C@@H](COc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230626793 801440586 /nfs/dbraw/zinc/44/05/86/801440586.db2.gz SPJWCTNZBDPMAV-CYBMUJFWSA-N 1 2 302.330 2.457 20 5 DEBDLO C[N@H+]1CCO[C@@H](COc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230626793 801440589 /nfs/dbraw/zinc/44/05/89/801440589.db2.gz SPJWCTNZBDPMAV-CYBMUJFWSA-N 1 2 302.330 2.457 20 5 DEBDLO Cc1nc(NCc2ccccc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC001458285672 1058054186 /nfs/dbraw/zinc/05/41/86/1058054186.db2.gz AIGFXPHBLPJOIX-UHFFFAOYSA-N 1 2 310.317 2.491 20 5 DEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC001462392890 1058814304 /nfs/dbraw/zinc/81/43/04/1058814304.db2.gz HNBJQMWXAUQREH-BRNRAETOSA-N 1 2 317.349 2.183 20 5 DEBDLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001465719440 1059351807 /nfs/dbraw/zinc/35/18/07/1059351807.db2.gz HACSCDMUAAMCSO-UHFFFAOYSA-N 1 2 302.334 2.220 20 5 DEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCN(C)c1cccc[nH+]1 ZINC001472862361 1060596959 /nfs/dbraw/zinc/59/69/59/1060596959.db2.gz BCPPYUBJYYVCTA-UHFFFAOYSA-N 1 2 318.381 2.453 20 5 DEBDLO Cn1c[nH+]c(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC001624723367 1078228480 /nfs/dbraw/zinc/22/84/80/1078228480.db2.gz HHPZFLZNKYGVFU-UHFFFAOYSA-N 1 2 323.740 2.346 20 5 DEBDLO Cc1cccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1[N+](=O)[O-] ZINC001642212245 1078747171 /nfs/dbraw/zinc/74/71/71/1078747171.db2.gz KXIPIRNTAINOLW-UHFFFAOYSA-N 1 2 312.329 2.079 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603059 1075100842 /nfs/dbraw/zinc/10/08/42/1075100842.db2.gz IRQPSNFZPIQCLS-VXGBXAGGSA-N 1 2 316.361 2.416 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603059 1075100844 /nfs/dbraw/zinc/10/08/44/1075100844.db2.gz IRQPSNFZPIQCLS-VXGBXAGGSA-N 1 2 316.361 2.416 20 5 DEBDLO C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610098744 1077980012 /nfs/dbraw/zinc/98/00/12/1077980012.db2.gz LIRFVOKGVBEHLO-AWEZNQCLSA-N 1 2 321.377 2.209 20 5 DEBDLO C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610098744 1077980016 /nfs/dbraw/zinc/98/00/16/1077980016.db2.gz LIRFVOKGVBEHLO-AWEZNQCLSA-N 1 2 321.377 2.209 20 5 DEBDLO COc1c(O)ccc(C[NH2+][C@@H](C)c2nccnc2C)c1[N+](=O)[O-] ZINC001665591934 1081042542 /nfs/dbraw/zinc/04/25/42/1081042542.db2.gz GCQVUQUFDQGZST-JTQLQIEISA-N 1 2 318.333 2.258 20 5 DEBDLO Cc1nnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1C ZINC001339277433 1143004747 /nfs/dbraw/zinc/00/47/47/1143004747.db2.gz WPYPYLRLXXRWLI-CQSZACIVSA-N 1 2 301.350 2.199 20 5 DEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)C1(CO)CC1 ZINC001340979719 1143515009 /nfs/dbraw/zinc/51/50/09/1143515009.db2.gz APVPGBPOHKTSCY-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C1(CO)CC1 ZINC001340979719 1143515017 /nfs/dbraw/zinc/51/50/17/1143515017.db2.gz APVPGBPOHKTSCY-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC001264010815 1144441824 /nfs/dbraw/zinc/44/18/24/1144441824.db2.gz LLAZECCZJRTGAL-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308056644 1147445690 /nfs/dbraw/zinc/44/56/90/1147445690.db2.gz XJDKLQUKRHEUFK-JTQLQIEISA-N 1 2 317.305 2.452 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc(C(F)(F)F)n[nH]2)cc1 ZINC001308988313 1147493824 /nfs/dbraw/zinc/49/38/24/1147493824.db2.gz COQXFYJAJWPCAI-UHFFFAOYSA-N 1 2 315.255 2.064 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000081798372 192325461 /nfs/dbraw/zinc/32/54/61/192325461.db2.gz XHNMRXMDJYVYCC-GFCCVEGCSA-N 1 2 302.334 2.166 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920648 362489685 /nfs/dbraw/zinc/48/96/85/362489685.db2.gz LWVGZOUSAMEOMI-CYBMUJFWSA-N 1 2 307.394 2.044 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920648 362489689 /nfs/dbraw/zinc/48/96/89/362489689.db2.gz LWVGZOUSAMEOMI-CYBMUJFWSA-N 1 2 307.394 2.044 20 5 DEBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000152647998 186093561 /nfs/dbraw/zinc/09/35/61/186093561.db2.gz HGOKNLYVOCFBJM-UHFFFAOYSA-N 1 2 307.331 2.205 20 5 DEBDLO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000155674623 186101826 /nfs/dbraw/zinc/10/18/26/186101826.db2.gz MOLVZGZZWIPYNX-GFCCVEGCSA-N 1 2 321.377 2.008 20 5 DEBDLO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000155674623 186101827 /nfs/dbraw/zinc/10/18/27/186101827.db2.gz MOLVZGZZWIPYNX-GFCCVEGCSA-N 1 2 321.377 2.008 20 5 DEBDLO Cc1noc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1[N+](=O)[O-] ZINC000595468410 358457266 /nfs/dbraw/zinc/45/72/66/358457266.db2.gz YZSLBKUQRCOSDH-CYBMUJFWSA-N 1 2 318.333 2.077 20 5 DEBDLO Cc1noc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1[N+](=O)[O-] ZINC000595468410 358457267 /nfs/dbraw/zinc/45/72/67/358457267.db2.gz YZSLBKUQRCOSDH-CYBMUJFWSA-N 1 2 318.333 2.077 20 5 DEBDLO CC[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298623143 282824261 /nfs/dbraw/zinc/82/42/61/282824261.db2.gz ZWJDBOMWPCZZCW-UHFFFAOYSA-N 1 2 303.318 2.119 20 5 DEBDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000034809287 354161901 /nfs/dbraw/zinc/16/19/01/354161901.db2.gz GFSRFBJFKDZLSQ-UHFFFAOYSA-N 1 2 321.380 2.069 20 5 DEBDLO O=C(NCCCCn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000052556588 354406636 /nfs/dbraw/zinc/40/66/36/354406636.db2.gz DWIHYYKLFWLNQA-UHFFFAOYSA-N 1 2 317.349 2.071 20 5 DEBDLO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052940574 354417644 /nfs/dbraw/zinc/41/76/44/354417644.db2.gz IDONGISTOZTOJR-UHFFFAOYSA-N 1 2 318.333 2.256 20 5 DEBDLO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052940574 354417647 /nfs/dbraw/zinc/41/76/47/354417647.db2.gz IDONGISTOZTOJR-UHFFFAOYSA-N 1 2 318.333 2.256 20 5 DEBDLO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000075334828 283065159 /nfs/dbraw/zinc/06/51/59/283065159.db2.gz JSEPHOPJWVEJHG-GFCCVEGCSA-N 1 2 321.377 2.104 20 5 DEBDLO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000075334828 283065160 /nfs/dbraw/zinc/06/51/60/283065160.db2.gz JSEPHOPJWVEJHG-GFCCVEGCSA-N 1 2 321.377 2.104 20 5 DEBDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605377 355517081 /nfs/dbraw/zinc/51/70/81/355517081.db2.gz PSAFOMKYXVPLJX-RYUDHWBXSA-N 1 2 305.378 2.256 20 5 DEBDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605377 355517083 /nfs/dbraw/zinc/51/70/83/355517083.db2.gz PSAFOMKYXVPLJX-RYUDHWBXSA-N 1 2 305.378 2.256 20 5 DEBDLO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092733738 355648346 /nfs/dbraw/zinc/64/83/46/355648346.db2.gz ZSOBXQUMQLATDZ-LBPRGKRZSA-N 1 2 321.377 2.039 20 5 DEBDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092733738 355648351 /nfs/dbraw/zinc/64/83/51/355648351.db2.gz ZSOBXQUMQLATDZ-LBPRGKRZSA-N 1 2 321.377 2.039 20 5 DEBDLO O=C(NC1(C2CC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000532377192 540237774 /nfs/dbraw/zinc/23/77/74/540237774.db2.gz WVAKFGCZRSMFSZ-UHFFFAOYSA-N 1 2 312.329 2.453 20 5 DEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000588815606 357426110 /nfs/dbraw/zinc/42/61/10/357426110.db2.gz FTIDMAHVZJJBCS-GFCCVEGCSA-N 1 2 304.354 2.158 20 5 DEBDLO COc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590971732 357656340 /nfs/dbraw/zinc/65/63/40/357656340.db2.gz JJVVLEHQHQYXEO-YGRLFVJLSA-N 1 2 310.325 2.353 20 5 DEBDLO COc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590971732 357656341 /nfs/dbraw/zinc/65/63/41/357656341.db2.gz JJVVLEHQHQYXEO-YGRLFVJLSA-N 1 2 310.325 2.353 20 5 DEBDLO Cc1nn(C)c(NCCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000592005703 357814100 /nfs/dbraw/zinc/81/41/00/357814100.db2.gz FJQXMSGSRFDLRR-UHFFFAOYSA-N 1 2 314.349 2.247 20 5 DEBDLO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000594388741 358253939 /nfs/dbraw/zinc/25/39/39/358253939.db2.gz AVLWHGCDOVETPW-UHFFFAOYSA-N 1 2 321.377 2.247 20 5 DEBDLO Cc1noc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595419055 358443325 /nfs/dbraw/zinc/44/33/25/358443325.db2.gz WRDKFFJEMLOJBC-IPQOISQHSA-N 1 2 323.374 2.101 20 5 DEBDLO Cc1noc(C[N@H+]2CCN(C)c3ccccc3C2)c1[N+](=O)[O-] ZINC000595308084 358419017 /nfs/dbraw/zinc/41/90/17/358419017.db2.gz YVSKRVNKGAEIAG-UHFFFAOYSA-N 1 2 302.334 2.343 20 5 DEBDLO Cc1noc(C[N@@H+]2CCN(C)c3ccccc3C2)c1[N+](=O)[O-] ZINC000595308084 358419022 /nfs/dbraw/zinc/41/90/22/358419022.db2.gz YVSKRVNKGAEIAG-UHFFFAOYSA-N 1 2 302.334 2.343 20 5 DEBDLO Cn1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000595330954 358423815 /nfs/dbraw/zinc/42/38/15/358423815.db2.gz RYKYXTASJPUZKP-UHFFFAOYSA-N 1 2 316.361 2.372 20 5 DEBDLO COc1ccc([C@@H](CCO)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595411790 358441634 /nfs/dbraw/zinc/44/16/34/358441634.db2.gz URRAQRXQMNBGTO-CYBMUJFWSA-N 1 2 321.333 2.113 20 5 DEBDLO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598464629 359207867 /nfs/dbraw/zinc/20/78/67/359207867.db2.gz KDSYUJMHESMEFN-LLVKDONJSA-N 1 2 302.334 2.138 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)c(NCC[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000599198933 359431124 /nfs/dbraw/zinc/43/11/24/359431124.db2.gz BLUUXVMKCSFTSB-VIFPVBQESA-N 1 2 320.176 2.380 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)c(NCC[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000599198933 359431129 /nfs/dbraw/zinc/43/11/29/359431129.db2.gz BLUUXVMKCSFTSB-VIFPVBQESA-N 1 2 320.176 2.380 20 5 DEBDLO Cc1[nH]c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000600106876 359649713 /nfs/dbraw/zinc/64/97/13/359649713.db2.gz MSXHHINDHFNCNI-UHFFFAOYSA-N 1 2 315.377 2.257 20 5 DEBDLO CCOC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000600201498 359686761 /nfs/dbraw/zinc/68/67/61/359686761.db2.gz OWLVTWTVOIVPFT-ZKKXHLJNSA-N 1 2 306.362 2.345 20 5 DEBDLO CCOC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000600201498 359686767 /nfs/dbraw/zinc/68/67/67/359686767.db2.gz OWLVTWTVOIVPFT-ZKKXHLJNSA-N 1 2 306.362 2.345 20 5 DEBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000602936891 360635001 /nfs/dbraw/zinc/63/50/01/360635001.db2.gz GCWYMWKLPQEZKK-UHFFFAOYSA-N 1 2 318.333 2.125 20 5 DEBDLO Cc1n[nH]cc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000602936891 360635004 /nfs/dbraw/zinc/63/50/04/360635004.db2.gz GCWYMWKLPQEZKK-UHFFFAOYSA-N 1 2 318.333 2.125 20 5 DEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]cc3F)C2)nc1 ZINC000603316744 360789381 /nfs/dbraw/zinc/78/93/81/360789381.db2.gz JGYHRRKRUAAGFN-SNVBAGLBSA-N 1 2 303.297 2.215 20 5 DEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCO)c3ccco3)nc2c1 ZINC000444683459 238244687 /nfs/dbraw/zinc/24/46/87/238244687.db2.gz GVVHSNPUCACLMS-LBPRGKRZSA-N 1 2 316.317 2.277 20 5 DEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(-n2cc[nH+]c2)ncn1 ZINC000610128723 361361982 /nfs/dbraw/zinc/36/19/82/361361982.db2.gz CDLYONFFFJOKNT-UHFFFAOYSA-N 1 2 310.317 2.207 20 5 DEBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000610514332 361413875 /nfs/dbraw/zinc/41/38/75/361413875.db2.gz NIYUUKFNGZORSP-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO C[C@H]1COCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610991108 361505804 /nfs/dbraw/zinc/50/58/04/361505804.db2.gz HUSIEYWLDNPMPU-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@H]1COCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610991108 361505809 /nfs/dbraw/zinc/50/58/09/361505809.db2.gz HUSIEYWLDNPMPU-NSHDSACASA-N 1 2 318.333 2.256 20 5 DEBDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000611031374 361515615 /nfs/dbraw/zinc/51/56/15/361515615.db2.gz WGYANGDQLNDQIK-UHFFFAOYSA-N 1 2 313.423 2.451 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000611349050 361584380 /nfs/dbraw/zinc/58/43/80/361584380.db2.gz SYFVYJXMUQWAMD-KBPBESRZSA-N 1 2 305.378 2.062 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000194742810 201281075 /nfs/dbraw/zinc/28/10/75/201281075.db2.gz IXHCOPGRSWSMBJ-LLVKDONJSA-N 1 2 302.334 2.166 20 5 DEBDLO CCC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000619486058 363809253 /nfs/dbraw/zinc/80/92/53/363809253.db2.gz JUHDIYYWPICVFD-BZNIZROVSA-N 1 2 321.377 2.319 20 5 DEBDLO CCC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000619486058 363809259 /nfs/dbraw/zinc/80/92/59/363809259.db2.gz JUHDIYYWPICVFD-BZNIZROVSA-N 1 2 321.377 2.319 20 5 DEBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1c[nH+]c2n1CCCC2 ZINC000452331084 244153685 /nfs/dbraw/zinc/15/36/85/244153685.db2.gz CCUOJDSSXAWRMK-UHFFFAOYSA-N 1 2 316.317 2.145 20 5 DEBDLO COc1c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456350134 247112350 /nfs/dbraw/zinc/11/23/50/247112350.db2.gz AJNLUCVPQDIRQV-MWLCHTKSSA-N 1 2 316.317 2.236 20 5 DEBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492770437 249135317 /nfs/dbraw/zinc/13/53/17/249135317.db2.gz QSGXKUNRKGCBNY-RQOWECAXSA-N 1 2 306.709 2.301 20 5 DEBDLO Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000043148678 183341492 /nfs/dbraw/zinc/34/14/92/183341492.db2.gz UFTKNVNEFXYAIO-UHFFFAOYSA-N 1 2 303.322 2.312 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273498652 210820804 /nfs/dbraw/zinc/82/08/04/210820804.db2.gz NUUWDRRCNYDTKW-UHFFFAOYSA-N 1 2 313.361 2.328 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000535748376 284911571 /nfs/dbraw/zinc/91/15/71/284911571.db2.gz FDRTUBMQPCDWBN-UHFFFAOYSA-N 1 2 301.302 2.289 20 5 DEBDLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000288621492 220295979 /nfs/dbraw/zinc/29/59/79/220295979.db2.gz QGFAZSMHXAKXNA-UHFFFAOYSA-N 1 2 322.752 2.263 20 5 DEBDLO COCCOCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413290793 533076220 /nfs/dbraw/zinc/07/62/20/533076220.db2.gz AQPZTRSQRQWWLO-UHFFFAOYSA-N 1 2 305.334 2.242 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000120783869 195237721 /nfs/dbraw/zinc/23/77/21/195237721.db2.gz KQNBQSNFVILZCQ-UHFFFAOYSA-N 1 2 315.333 2.273 20 5 DEBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000340313564 131379826 /nfs/dbraw/zinc/37/98/26/131379826.db2.gz QRZFDMDTPUFYNJ-OAHLLOKOSA-N 1 2 324.344 2.030 20 5 DEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cnc3ccccn13)CC2 ZINC000347790130 132790049 /nfs/dbraw/zinc/79/00/49/132790049.db2.gz SKQQPBVVCGXPIP-UHFFFAOYSA-N 1 2 309.329 2.196 20 5 DEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cnc3ccccn13)CC2 ZINC000347790130 132790050 /nfs/dbraw/zinc/79/00/50/132790050.db2.gz SKQQPBVVCGXPIP-UHFFFAOYSA-N 1 2 309.329 2.196 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347998297 132858066 /nfs/dbraw/zinc/85/80/66/132858066.db2.gz GABVWBCLKNDOCV-MNOVXSKESA-N 1 2 320.324 2.239 20 5 DEBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000353433481 132974130 /nfs/dbraw/zinc/97/41/30/132974130.db2.gz GLFBDTOHFFSWRR-HUUCEWRRSA-N 1 2 316.361 2.186 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000286027252 296511640 /nfs/dbraw/zinc/51/16/40/296511640.db2.gz GGAHXNMDUKHPOT-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000295877160 292100326 /nfs/dbraw/zinc/10/03/26/292100326.db2.gz AYVGVTSYGPVIQT-UHFFFAOYSA-N 1 2 302.334 2.213 20 5 DEBDLO Cc1cc(N[C@H]2CO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000564905293 292119720 /nfs/dbraw/zinc/11/97/20/292119720.db2.gz JXAUMUJAANRKTE-WCQYABFASA-N 1 2 314.345 2.371 20 5 DEBDLO Cc1cc(N[C@H]2CO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000564905292 292119829 /nfs/dbraw/zinc/11/98/29/292119829.db2.gz JXAUMUJAANRKTE-DGCLKSJQSA-N 1 2 314.345 2.371 20 5 DEBDLO O=[N+]([O-])c1ccc([C@H](NCC[NH+]2CCC2)C(F)(F)F)cc1 ZINC000565089360 292133243 /nfs/dbraw/zinc/13/32/43/292133243.db2.gz PPUSBPXODFDEOI-LBPRGKRZSA-N 1 2 303.284 2.494 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCOCC1CC1 ZINC000130757137 401838378 /nfs/dbraw/zinc/83/83/78/401838378.db2.gz FUSJJHYDMKSBFX-UHFFFAOYSA-N 1 2 321.377 2.200 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCOCC1CC1 ZINC000130757137 401838380 /nfs/dbraw/zinc/83/83/80/401838380.db2.gz FUSJJHYDMKSBFX-UHFFFAOYSA-N 1 2 321.377 2.200 20 5 DEBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078543661 401855036 /nfs/dbraw/zinc/85/50/36/401855036.db2.gz ZPFAPWIFTJFXDQ-LLVKDONJSA-N 1 2 312.801 2.296 20 5 DEBDLO CN(C(=O)C[N@H+](C)Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000119040223 401920779 /nfs/dbraw/zinc/92/07/79/401920779.db2.gz MQTXDKDSAFLZCJ-UHFFFAOYSA-N 1 2 314.345 2.085 20 5 DEBDLO CN(C(=O)C[N@@H+](C)Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000119040223 401920783 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Cc1nn(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c2cc([N+](=O)[O-])ccc12 ZINC000844757041 651166360 /nfs/dbraw/zinc/16/63/60/651166360.db2.gz MTRUTXUHBSSENI-TXEJJXNPSA-N 1 2 308.288 2.407 20 5 DEBDLO CC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000846949922 651364215 /nfs/dbraw/zinc/36/42/15/651364215.db2.gz DJOXJJVFRHQYOV-UHFFFAOYSA-N 1 2 320.345 2.262 20 5 DEBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000854679052 651534510 /nfs/dbraw/zinc/53/45/10/651534510.db2.gz QVIOGIXUXXCGSP-ZLKJLUDKSA-N 1 2 314.345 2.309 20 5 DEBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854825655 651569575 /nfs/dbraw/zinc/56/95/75/651569575.db2.gz MBXYNBMWABYZGX-UHFFFAOYSA-N 1 2 303.322 2.319 20 5 DEBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857975558 652225917 /nfs/dbraw/zinc/22/59/17/652225917.db2.gz PESLVAVRYVTXLL-MSKHEQNASA-N 1 2 312.329 2.456 20 5 DEBDLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1 ZINC000857979499 652228177 /nfs/dbraw/zinc/22/81/77/652228177.db2.gz PKFFLKXHEBIZRV-GXFFZTMASA-N 1 2 300.318 2.156 20 5 DEBDLO O=C1CCC2=C(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000852298772 652380111 /nfs/dbraw/zinc/38/01/11/652380111.db2.gz HWXCGHFHBHQCBF-UHFFFAOYSA-N 1 2 305.309 2.104 20 5 DEBDLO O=C1CCC2=C(CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000852298772 652380112 /nfs/dbraw/zinc/38/01/12/652380112.db2.gz HWXCGHFHBHQCBF-UHFFFAOYSA-N 1 2 305.309 2.104 20 5 DEBDLO O=C1CCC2=C(CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)N1 ZINC000852300287 652380472 /nfs/dbraw/zinc/38/04/72/652380472.db2.gz NTLVBZAMUJFPHP-UHFFFAOYSA-N 1 2 305.309 2.104 20 5 DEBDLO O=C1CCC2=C(CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)N1 ZINC000852300287 652380475 /nfs/dbraw/zinc/38/04/75/652380475.db2.gz NTLVBZAMUJFPHP-UHFFFAOYSA-N 1 2 305.309 2.104 20 5 DEBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000860172558 685895589 /nfs/dbraw/zinc/89/55/89/685895589.db2.gz FJUNOUPCDGCLBN-AWEZNQCLSA-N 1 2 309.341 2.225 20 5 DEBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000860172558 685895591 /nfs/dbraw/zinc/89/55/91/685895591.db2.gz FJUNOUPCDGCLBN-AWEZNQCLSA-N 1 2 309.341 2.225 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)s1 ZINC000866000033 687405110 /nfs/dbraw/zinc/40/51/10/687405110.db2.gz OAJOMXBVUJODLO-UHFFFAOYSA-N 1 2 316.386 2.374 20 5 DEBDLO Cn1c[nH+]cc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000868413834 688006935 /nfs/dbraw/zinc/00/69/35/688006935.db2.gz XSRHWJQDGZLSHB-UHFFFAOYSA-N 1 2 314.345 2.066 20 5 DEBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000872068543 688921628 /nfs/dbraw/zinc/92/16/28/688921628.db2.gz HKXWFNCRAAEZMQ-QWRGUYRKSA-N 1 2 309.341 2.395 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872099710 688928126 /nfs/dbraw/zinc/92/81/26/688928126.db2.gz QLGWSWOYWUXJFM-JHJVBQTASA-N 1 2 324.402 2.022 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872099710 688928128 /nfs/dbraw/zinc/92/81/28/688928128.db2.gz QLGWSWOYWUXJFM-JHJVBQTASA-N 1 2 324.402 2.022 20 5 DEBDLO Cc1c(C[NH2+][C@H](C)c2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000873011426 689140654 /nfs/dbraw/zinc/14/06/54/689140654.db2.gz YGDIVUKFGNXJDM-LLVKDONJSA-N 1 2 301.350 2.292 20 5 DEBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000879335656 690622153 /nfs/dbraw/zinc/62/21/53/690622153.db2.gz UXPSCBYBQNJNFS-ZDUSSCGKSA-N 1 2 324.356 2.017 20 5 DEBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000879335656 690622156 /nfs/dbraw/zinc/62/21/56/690622156.db2.gz UXPSCBYBQNJNFS-ZDUSSCGKSA-N 1 2 324.356 2.017 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932072472 694541602 /nfs/dbraw/zinc/54/16/02/694541602.db2.gz FBYZZLZSPVRVDF-SECBINFHSA-N 1 2 324.328 2.079 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932072472 694541606 /nfs/dbraw/zinc/54/16/06/694541606.db2.gz FBYZZLZSPVRVDF-SECBINFHSA-N 1 2 324.328 2.079 20 5 DEBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001169654150 785287572 /nfs/dbraw/zinc/28/75/72/785287572.db2.gz WJCCPQYFPYJRHB-LBPRGKRZSA-N 1 2 320.324 2.025 20 5 DEBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001169654150 785287578 /nfs/dbraw/zinc/28/75/78/785287578.db2.gz WJCCPQYFPYJRHB-LBPRGKRZSA-N 1 2 320.324 2.025 20 5 DEBDLO Cc1noc(C[N@H+](C)CCCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001176787511 794494178 /nfs/dbraw/zinc/49/41/78/794494178.db2.gz BAJORCSLTMSBEN-UHFFFAOYSA-N 1 2 313.354 2.445 20 5 DEBDLO Cc1noc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001176787511 794494180 /nfs/dbraw/zinc/49/41/80/794494180.db2.gz BAJORCSLTMSBEN-UHFFFAOYSA-N 1 2 313.354 2.445 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118311659 795175891 /nfs/dbraw/zinc/17/58/91/795175891.db2.gz GUPRBILOFKYWLA-SNVBAGLBSA-N 1 2 300.318 2.039 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118311659 795175894 /nfs/dbraw/zinc/17/58/94/795175894.db2.gz GUPRBILOFKYWLA-SNVBAGLBSA-N 1 2 300.318 2.039 20 5 DEBDLO CCN(CCn1cc[nH+]c1)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157459917 798209565 /nfs/dbraw/zinc/20/95/65/798209565.db2.gz NLEODKFBGHJQFB-UHFFFAOYSA-N 1 2 312.333 2.261 20 5 DEBDLO C[C@@H](C[NH+]1CCOCC1)Oc1c2cccnc2ccc1[N+](=O)[O-] ZINC001233778673 802209162 /nfs/dbraw/zinc/20/91/62/802209162.db2.gz MJMKOEUIXBYHNJ-LBPRGKRZSA-N 1 2 317.345 2.243 20 5 DEBDLO C[N@@H+]1CCC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228861884 803422855 /nfs/dbraw/zinc/42/28/55/803422855.db2.gz IMZXAMVDGPDWEA-SSDOTTSWSA-N 1 2 321.255 2.187 20 5 DEBDLO C[N@H+]1CCC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228861884 803422857 /nfs/dbraw/zinc/42/28/57/803422857.db2.gz IMZXAMVDGPDWEA-SSDOTTSWSA-N 1 2 321.255 2.187 20 5 DEBDLO Cc1c[nH+]c(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[nH]1 ZINC001458514392 1058067699 /nfs/dbraw/zinc/06/76/99/1058067699.db2.gz MOLCRCYFZSWZPT-UHFFFAOYSA-N 1 2 313.317 2.090 20 5 DEBDLO C[C@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC001466635831 1059510047 /nfs/dbraw/zinc/51/00/47/1059510047.db2.gz NBBBAGRVOXZLBB-SECBINFHSA-N 1 2 314.305 2.257 20 5 DEBDLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC001468064207 1059735237 /nfs/dbraw/zinc/73/52/37/1059735237.db2.gz HZOJNKZMWVIEBL-NWDGAFQWSA-N 1 2 317.349 2.240 20 5 DEBDLO Cc1c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001643586970 1078806045 /nfs/dbraw/zinc/80/60/45/1078806045.db2.gz DOOLMLXHAKRFKG-YNEHKIRRSA-N 1 2 305.378 2.343 20 5 DEBDLO Cc1c(C[N@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001643586970 1078806050 /nfs/dbraw/zinc/80/60/50/1078806050.db2.gz DOOLMLXHAKRFKG-YNEHKIRRSA-N 1 2 305.378 2.343 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001644672272 1078854866 /nfs/dbraw/zinc/85/48/66/1078854866.db2.gz KHAHBKBWLZLJOS-NSHDSACASA-N 1 2 300.318 2.080 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001644672272 1078854876 /nfs/dbraw/zinc/85/48/76/1078854876.db2.gz KHAHBKBWLZLJOS-NSHDSACASA-N 1 2 300.318 2.080 20 5 DEBDLO Cc1noc(C[NH2+]C2(C(=O)NCC(C)C)CCCC2)c1[N+](=O)[O-] ZINC001653659801 1079936814 /nfs/dbraw/zinc/93/68/14/1079936814.db2.gz AEIJENDCUMCOSY-UHFFFAOYSA-N 1 2 324.381 2.066 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001669439003 1081450966 /nfs/dbraw/zinc/45/09/66/1081450966.db2.gz UNVBKTRDGDVTLN-LLVKDONJSA-N 1 2 315.333 2.155 20 5 DEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001254558573 1143249357 /nfs/dbraw/zinc/24/93/57/1143249357.db2.gz GJSNJKKJIGDPQQ-JSGCOSHPSA-N 1 2 307.369 2.254 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001301532110 1147293407 /nfs/dbraw/zinc/29/34/07/1147293407.db2.gz IPODPUQQRDBJCY-LBPRGKRZSA-N 1 2 323.312 2.214 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)n1cc[nH+]c1)CC2 ZINC001324856998 1147853735 /nfs/dbraw/zinc/85/37/35/1147853735.db2.gz OEJJRRVCMANAJH-NSHDSACASA-N 1 2 300.318 2.250 20 5 DEBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000612346120 361799814 /nfs/dbraw/zinc/79/98/14/361799814.db2.gz HMMOSZAXVLJFCE-UHFFFAOYSA-N 1 2 304.281 2.447 20 5 DEBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421889512 529578278 /nfs/dbraw/zinc/57/82/78/529578278.db2.gz KILNUOVPBJPZSM-UHFFFAOYSA-N 1 2 302.334 2.358 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCNC(=O)C(C)C ZINC000179676173 186203183 /nfs/dbraw/zinc/20/31/83/186203183.db2.gz LCOBORMCDMAMCB-UHFFFAOYSA-N 1 2 323.393 2.198 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000179676173 186203186 /nfs/dbraw/zinc/20/31/86/186203186.db2.gz LCOBORMCDMAMCB-UHFFFAOYSA-N 1 2 323.393 2.198 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCSC2)c(Cl)c1 ZINC000183849552 186224428 /nfs/dbraw/zinc/22/44/28/186224428.db2.gz RDFSTWSUQDBDRN-LBPRGKRZSA-N 1 2 302.783 2.206 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000172719829 198140996 /nfs/dbraw/zinc/14/09/96/198140996.db2.gz WFNKXOMNKJPOND-HNNXBMFYSA-N 1 2 320.324 2.004 20 5 DEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000172719829 198140997 /nfs/dbraw/zinc/14/09/97/198140997.db2.gz WFNKXOMNKJPOND-HNNXBMFYSA-N 1 2 320.324 2.004 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000058296373 354589622 /nfs/dbraw/zinc/58/96/22/354589622.db2.gz MYZFOGLDYXMHTM-NTYUQYKDSA-N 1 2 300.318 2.009 20 5 DEBDLO CCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072558205 354906424 /nfs/dbraw/zinc/90/64/24/354906424.db2.gz NRCRFVMGLTWIOX-LBPRGKRZSA-N 1 2 306.366 2.003 20 5 DEBDLO CCOC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075589889 355094983 /nfs/dbraw/zinc/09/49/83/355094983.db2.gz VRDABZPZSKDFCU-GFCCVEGCSA-N 1 2 307.350 2.430 20 5 DEBDLO CC[N@H+](Cc1ccoc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000102408356 355712570 /nfs/dbraw/zinc/71/25/70/355712570.db2.gz SXZNGFYKJJSVRD-UHFFFAOYSA-N 1 2 303.318 2.309 20 5 DEBDLO CC[N@@H+](Cc1ccoc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000102408356 355712575 /nfs/dbraw/zinc/71/25/75/355712575.db2.gz SXZNGFYKJJSVRD-UHFFFAOYSA-N 1 2 303.318 2.309 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456359402 291079775 /nfs/dbraw/zinc/07/97/75/291079775.db2.gz CUKOIMAVRIMXFT-QPUJVOFHSA-N 1 2 304.281 2.366 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425498828 283209542 /nfs/dbraw/zinc/20/95/42/283209542.db2.gz HJZGDNWLMRPCEA-LLVKDONJSA-N 1 2 305.313 2.163 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425498828 283209543 /nfs/dbraw/zinc/20/95/43/283209543.db2.gz HJZGDNWLMRPCEA-LLVKDONJSA-N 1 2 305.313 2.163 20 5 DEBDLO Cc1ncc2c(n1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000580872389 357092390 /nfs/dbraw/zinc/09/23/90/357092390.db2.gz VICUTEQQVYCZIZ-UHFFFAOYSA-N 1 2 324.344 2.128 20 5 DEBDLO Cc1ncc2c(n1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000580872389 357092395 /nfs/dbraw/zinc/09/23/95/357092395.db2.gz VICUTEQQVYCZIZ-UHFFFAOYSA-N 1 2 324.344 2.128 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000276864250 213141301 /nfs/dbraw/zinc/14/13/01/213141301.db2.gz GSQOTUSARDMXGD-UHFFFAOYSA-N 1 2 322.361 2.332 20 5 DEBDLO CCOc1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000276864250 213141302 /nfs/dbraw/zinc/14/13/02/213141302.db2.gz GSQOTUSARDMXGD-UHFFFAOYSA-N 1 2 322.361 2.332 20 5 DEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)nc2c1 ZINC000590971788 357656346 /nfs/dbraw/zinc/65/63/46/357656346.db2.gz MMFLUURIWRSILV-YGRLFVJLSA-N 1 2 302.334 2.082 20 5 DEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]4COC[C@@H]43)nc2c1 ZINC000590971788 357656347 /nfs/dbraw/zinc/65/63/47/357656347.db2.gz MMFLUURIWRSILV-YGRLFVJLSA-N 1 2 302.334 2.082 20 5 DEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000180697044 199198422 /nfs/dbraw/zinc/19/84/22/199198422.db2.gz HNOXSCJGRMORJR-UHFFFAOYSA-N 1 2 323.418 2.483 20 5 DEBDLO Cc1noc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595320613 358421901 /nfs/dbraw/zinc/42/19/01/358421901.db2.gz HVMOIKUQRHTMAE-VIFPVBQESA-N 1 2 323.271 2.435 20 5 DEBDLO Cc1noc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595320613 358421903 /nfs/dbraw/zinc/42/19/03/358421903.db2.gz HVMOIKUQRHTMAE-VIFPVBQESA-N 1 2 323.271 2.435 20 5 DEBDLO CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC(C)(C)[NH2+]1 ZINC000596706297 358743695 /nfs/dbraw/zinc/74/36/95/358743695.db2.gz DZSRGSHEBYMDLT-UHFFFAOYSA-N 1 2 321.377 2.339 20 5 DEBDLO Cc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000596621212 358725965 /nfs/dbraw/zinc/72/59/65/358725965.db2.gz WYJBORIWFFAXDG-LLVKDONJSA-N 1 2 300.318 2.301 20 5 DEBDLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000597858928 359024262 /nfs/dbraw/zinc/02/42/62/359024262.db2.gz WVLYAJZLSMXMSZ-SECBINFHSA-N 1 2 306.297 2.219 20 5 DEBDLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000597858928 359024268 /nfs/dbraw/zinc/02/42/68/359024268.db2.gz WVLYAJZLSMXMSZ-SECBINFHSA-N 1 2 306.297 2.219 20 5 DEBDLO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598465773 359210089 /nfs/dbraw/zinc/21/00/89/359210089.db2.gz ULHUDQLZPNLVAW-LLVKDONJSA-N 1 2 316.361 2.483 20 5 DEBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599160844 359419614 /nfs/dbraw/zinc/41/96/14/359419614.db2.gz QJBKPNKASUAIKF-JTQLQIEISA-N 1 2 319.283 2.356 20 5 DEBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599160844 359419618 /nfs/dbraw/zinc/41/96/18/359419618.db2.gz QJBKPNKASUAIKF-JTQLQIEISA-N 1 2 319.283 2.356 20 5 DEBDLO Cn1cc(CCC[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000602688074 360498597 /nfs/dbraw/zinc/49/85/97/360498597.db2.gz JWBKCMOAQXHLOF-UHFFFAOYSA-N 1 2 316.361 2.024 20 5 DEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131042 361280734 /nfs/dbraw/zinc/28/07/34/361280734.db2.gz GZIREBGQGCVDGC-AWEZNQCLSA-N 1 2 300.318 2.269 20 5 DEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000609619967 361328210 /nfs/dbraw/zinc/32/82/10/361328210.db2.gz MLMIVBHWWUQBIE-UHFFFAOYSA-N 1 2 306.709 2.142 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000610079137 361357116 /nfs/dbraw/zinc/35/71/16/361357116.db2.gz IQFCQYFYBBWXCZ-GFCCVEGCSA-N 1 2 304.268 2.400 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000610079137 361357118 /nfs/dbraw/zinc/35/71/18/361357118.db2.gz IQFCQYFYBBWXCZ-GFCCVEGCSA-N 1 2 304.268 2.400 20 5 DEBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000611191135 361545051 /nfs/dbraw/zinc/54/50/51/361545051.db2.gz PSUKCBVYEQADMV-UHFFFAOYSA-N 1 2 317.349 2.087 20 5 DEBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000611191135 361545054 /nfs/dbraw/zinc/54/50/54/361545054.db2.gz PSUKCBVYEQADMV-UHFFFAOYSA-N 1 2 317.349 2.087 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000611575867 361637326 /nfs/dbraw/zinc/63/73/26/361637326.db2.gz PMLVFWFURDROLO-HNNXBMFYSA-N 1 2 322.361 2.391 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000611575867 361637331 /nfs/dbraw/zinc/63/73/31/361637331.db2.gz PMLVFWFURDROLO-HNNXBMFYSA-N 1 2 322.361 2.391 20 5 DEBDLO CCC(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000619486060 363809899 /nfs/dbraw/zinc/80/98/99/363809899.db2.gz JUHDIYYWPICVFD-ZBEGNZNMSA-N 1 2 321.377 2.319 20 5 DEBDLO CCC(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000619486060 363809902 /nfs/dbraw/zinc/80/99/02/363809902.db2.gz JUHDIYYWPICVFD-ZBEGNZNMSA-N 1 2 321.377 2.319 20 5 DEBDLO Nc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cc(F)cc1[N+](=O)[O-] ZINC000619578291 363833130 /nfs/dbraw/zinc/83/31/30/363833130.db2.gz JJFFSNWEASPDJS-UHFFFAOYSA-N 1 2 315.264 2.216 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275484590 212362554 /nfs/dbraw/zinc/36/25/54/212362554.db2.gz OSNFXASPPDCCGL-FZMZJTMJSA-N 1 2 321.377 2.015 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275484590 212362556 /nfs/dbraw/zinc/36/25/56/212362556.db2.gz OSNFXASPPDCCGL-FZMZJTMJSA-N 1 2 321.377 2.015 20 5 DEBDLO CNC(=O)c1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450834757 242290495 /nfs/dbraw/zinc/29/04/95/242290495.db2.gz VLQOLUVJCAWVID-BXKDBHETSA-N 1 2 315.333 2.269 20 5 DEBDLO COC(=O)c1cnc(NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000450907075 242381402 /nfs/dbraw/zinc/38/14/02/242381402.db2.gz JNIBNCOYEVBFJD-UHFFFAOYSA-N 1 2 316.317 2.400 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000456371906 247138049 /nfs/dbraw/zinc/13/80/49/247138049.db2.gz FAQLDGMJFVBSGZ-SECBINFHSA-N 1 2 306.297 2.441 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000456373530 247132840 /nfs/dbraw/zinc/13/28/40/247132840.db2.gz ZUEKWMVPTCINCZ-SECBINFHSA-N 1 2 306.297 2.441 20 5 DEBDLO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456373984 247132983 /nfs/dbraw/zinc/13/29/83/247132983.db2.gz JKCIUPYOUPSVKY-ZYHUDNBSSA-N 1 2 315.333 2.025 20 5 DEBDLO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456375303 247133028 /nfs/dbraw/zinc/13/30/28/247133028.db2.gz JYEPTTNLCCOOHM-JQWIXIFHSA-N 1 2 300.318 2.156 20 5 DEBDLO Cc1c(CC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456437246 247192933 /nfs/dbraw/zinc/19/29/33/247192933.db2.gz WWZFNNZEMAODTJ-MFKMUULPSA-N 1 2 314.345 2.464 20 5 DEBDLO CCOc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492718416 249123801 /nfs/dbraw/zinc/12/38/01/249123801.db2.gz BCABDMBIBYSTGU-LBPRGKRZSA-N 1 2 322.283 2.349 20 5 DEBDLO CCOc1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492718416 249123803 /nfs/dbraw/zinc/12/38/03/249123803.db2.gz BCABDMBIBYSTGU-LBPRGKRZSA-N 1 2 322.283 2.349 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(C)[nH+]c2)n1 ZINC000553058610 291731955 /nfs/dbraw/zinc/73/19/55/291731955.db2.gz GHEZVPGBWRYRFD-UHFFFAOYSA-N 1 2 316.317 2.134 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538744390 285053797 /nfs/dbraw/zinc/05/37/97/285053797.db2.gz KGDWSJUYYOIHOI-UHFFFAOYSA-N 1 2 314.345 2.414 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000368457833 285115016 /nfs/dbraw/zinc/11/50/16/285115016.db2.gz FPHCRUVUXWAGDK-CQSZACIVSA-N 1 2 318.354 2.213 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289861600 221276206 /nfs/dbraw/zinc/27/62/06/221276206.db2.gz RRJRSZMDXKHDIH-UHFFFAOYSA-N 1 2 315.333 2.456 20 5 DEBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](c2ccsc2)O1 ZINC000120966952 195273374 /nfs/dbraw/zinc/27/33/74/195273374.db2.gz PCLJTGCDQSKBKF-WCQYABFASA-N 1 2 322.390 2.315 20 5 DEBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](c2ccsc2)O1 ZINC000120966952 195273376 /nfs/dbraw/zinc/27/33/76/195273376.db2.gz PCLJTGCDQSKBKF-WCQYABFASA-N 1 2 322.390 2.315 20 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ZINC000340213559 131200082 /nfs/dbraw/zinc/20/00/82/131200082.db2.gz ANQFZCRXRJODJC-SECBINFHSA-N 1 2 322.296 2.202 20 5 DEBDLO CSc1cccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000362855374 133255415 /nfs/dbraw/zinc/25/54/15/133255415.db2.gz ZDRLILQUAPZJJO-JTQLQIEISA-N 1 2 320.374 2.332 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377696686 133342451 /nfs/dbraw/zinc/34/24/51/133342451.db2.gz LEFJFLNUTCSUJE-HZPDHXFCSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377696686 133342452 /nfs/dbraw/zinc/34/24/52/133342452.db2.gz LEFJFLNUTCSUJE-HZPDHXFCSA-N 1 2 306.362 2.283 20 5 DEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC3(C2)CCCC3)cc1 ZINC000372499137 133356034 /nfs/dbraw/zinc/35/60/34/133356034.db2.gz ZOEOJWUHSPNOGE-UHFFFAOYSA-N 1 2 324.402 2.245 20 5 DEBDLO Cc1[nH+]cccc1Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000346870540 146156510 /nfs/dbraw/zinc/15/65/10/146156510.db2.gz NVRVWUBSBPDEOM-UHFFFAOYSA-N 1 2 311.301 2.258 20 5 DEBDLO Cn1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000349614828 146389486 /nfs/dbraw/zinc/38/94/86/146389486.db2.gz JJCHPFXQPNGBTE-UHFFFAOYSA-N 1 2 311.301 2.371 20 5 DEBDLO CCO[C@@H]1C[C@H]1[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552056485 285939156 /nfs/dbraw/zinc/93/91/56/285939156.db2.gz FIVZEKVLBHUTSB-RBSFLKMASA-N 1 2 316.361 2.185 20 5 DEBDLO Cc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374326249 148231690 /nfs/dbraw/zinc/23/16/90/148231690.db2.gz FKBQMPLSSWTENJ-CYBMUJFWSA-N 1 2 314.345 2.266 20 5 DEBDLO Cc1c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cccc1[N+](=O)[O-] ZINC000375228663 148344974 /nfs/dbraw/zinc/34/49/74/148344974.db2.gz JAVLFGSVBVXEDX-ZBFHGGJFSA-N 1 2 318.373 2.473 20 5 DEBDLO Cc1c(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cccc1[N+](=O)[O-] ZINC000375228663 148344976 /nfs/dbraw/zinc/34/49/76/148344976.db2.gz JAVLFGSVBVXEDX-ZBFHGGJFSA-N 1 2 318.373 2.473 20 5 DEBDLO CC(C)(NC(=O)CCNc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000565899508 292190055 /nfs/dbraw/zinc/19/00/55/292190055.db2.gz ZSOKRCAVXBEYBE-UHFFFAOYSA-N 1 2 317.349 2.171 20 5 DEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)n1 ZINC000127073251 401719354 /nfs/dbraw/zinc/71/93/54/401719354.db2.gz FTTPTUCGRMKREM-UHFFFAOYSA-N 1 2 311.345 2.331 20 5 DEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c4ccccc4[nH]c3C2)n1 ZINC000127073251 401719357 /nfs/dbraw/zinc/71/93/57/401719357.db2.gz FTTPTUCGRMKREM-UHFFFAOYSA-N 1 2 311.345 2.331 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135560901 401945017 /nfs/dbraw/zinc/94/50/17/401945017.db2.gz LHWIKIQLLRSYKO-UONOGXRCSA-N 1 2 312.366 2.440 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135560901 401945019 /nfs/dbraw/zinc/94/50/19/401945019.db2.gz LHWIKIQLLRSYKO-UONOGXRCSA-N 1 2 312.366 2.440 20 5 DEBDLO Cc1c[nH]c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000135641884 401949302 /nfs/dbraw/zinc/94/93/02/401949302.db2.gz JVNBUEZFRDVAQJ-UHFFFAOYSA-N 1 2 312.289 2.064 20 5 DEBDLO COc1cc(S(=O)(=O)Nc2cc[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000121366792 402031675 /nfs/dbraw/zinc/03/16/75/402031675.db2.gz NVSDIVDZZDZTPE-UHFFFAOYSA-N 1 2 323.330 2.108 20 5 DEBDLO O=c1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)occ1O ZINC000153278142 402137072 /nfs/dbraw/zinc/13/70/72/402137072.db2.gz SRPPNWLMHYRHGG-UHFFFAOYSA-N 1 2 316.313 2.418 20 5 DEBDLO O=c1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)occ1O ZINC000153278142 402137075 /nfs/dbraw/zinc/13/70/75/402137075.db2.gz SRPPNWLMHYRHGG-UHFFFAOYSA-N 1 2 316.313 2.418 20 5 DEBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153396732 402142337 /nfs/dbraw/zinc/14/23/37/402142337.db2.gz RNAKXWJNKAJTIT-ZDUSSCGKSA-N 1 2 323.780 2.491 20 5 DEBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153396732 402142340 /nfs/dbraw/zinc/14/23/40/402142340.db2.gz RNAKXWJNKAJTIT-ZDUSSCGKSA-N 1 2 323.780 2.491 20 5 DEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2C1 ZINC000103411843 402187295 /nfs/dbraw/zinc/18/72/95/402187295.db2.gz FKUUQPCVFFIPID-UHFFFAOYSA-N 1 2 301.302 2.280 20 5 DEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2C1 ZINC000103411843 402187297 /nfs/dbraw/zinc/18/72/97/402187297.db2.gz FKUUQPCVFFIPID-UHFFFAOYSA-N 1 2 301.302 2.280 20 5 DEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000103467847 402190158 /nfs/dbraw/zinc/19/01/58/402190158.db2.gz PMRMDLHJHXVQMM-LLVKDONJSA-N 1 2 309.391 2.279 20 5 DEBDLO CSc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000158961706 402314934 /nfs/dbraw/zinc/31/49/34/402314934.db2.gz SIBAEOJOIQPXSG-UHFFFAOYSA-N 1 2 320.374 2.023 20 5 DEBDLO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000187245834 402489852 /nfs/dbraw/zinc/48/98/52/402489852.db2.gz KLNWWIPALSBNHA-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO COC(=O)[C@@H](C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000190074547 402574146 /nfs/dbraw/zinc/57/41/46/402574146.db2.gz TUNMROJOQKMNGG-ABAIWWIYSA-N 1 2 322.361 2.044 20 5 DEBDLO COC(=O)[C@@H](C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000190074547 402574148 /nfs/dbraw/zinc/57/41/48/402574148.db2.gz TUNMROJOQKMNGG-ABAIWWIYSA-N 1 2 322.361 2.044 20 5 DEBDLO CC[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242291 402582898 /nfs/dbraw/zinc/58/28/98/402582898.db2.gz MHOPLRBGHSMEAB-GFCCVEGCSA-N 1 2 305.378 2.474 20 5 DEBDLO CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242291 402582899 /nfs/dbraw/zinc/58/28/99/402582899.db2.gz MHOPLRBGHSMEAB-GFCCVEGCSA-N 1 2 305.378 2.474 20 5 DEBDLO CCOCCOCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000190248500 402587111 /nfs/dbraw/zinc/58/71/11/402587111.db2.gz FXWZKOAKLUBROO-UHFFFAOYSA-N 1 2 300.330 2.219 20 5 DEBDLO CCOCCOCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000190248500 402587114 /nfs/dbraw/zinc/58/71/14/402587114.db2.gz FXWZKOAKLUBROO-UHFFFAOYSA-N 1 2 300.330 2.219 20 5 DEBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC000190527748 402607988 /nfs/dbraw/zinc/60/79/88/402607988.db2.gz BIWHIPUWQIRLQF-NXEZZACHSA-N 1 2 302.338 2.328 20 5 DEBDLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000173913104 402718785 /nfs/dbraw/zinc/71/87/85/402718785.db2.gz HEQGUKFNGWLOOA-UHFFFAOYSA-N 1 2 315.333 2.273 20 5 DEBDLO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCC1 ZINC000182011958 402663973 /nfs/dbraw/zinc/66/39/73/402663973.db2.gz HDKOYOKERZRFPB-UHFFFAOYSA-N 1 2 321.377 2.247 20 5 DEBDLO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC000182256562 402676642 /nfs/dbraw/zinc/67/66/42/402676642.db2.gz YHXXQDFHGHJUHF-GFCCVEGCSA-N 1 2 321.377 2.295 20 5 DEBDLO CC(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000264238734 402861337 /nfs/dbraw/zinc/86/13/37/402861337.db2.gz JCOFIDHMRYNEIU-NWDGAFQWSA-N 1 2 321.377 2.319 20 5 DEBDLO CCC[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272522970 402948043 /nfs/dbraw/zinc/94/80/43/402948043.db2.gz LQPOPBWBBJCJFX-HUUCEWRRSA-N 1 2 318.377 2.168 20 5 DEBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272580655 402956011 /nfs/dbraw/zinc/95/60/11/402956011.db2.gz YBPNIEFUCZGGSE-GJZGRUSLSA-N 1 2 316.361 2.186 20 5 DEBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000280608801 403018835 /nfs/dbraw/zinc/01/88/35/403018835.db2.gz YUMGIMULAODZKL-GFCCVEGCSA-N 1 2 316.304 2.399 20 5 DEBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000280608801 403018837 /nfs/dbraw/zinc/01/88/37/403018837.db2.gz YUMGIMULAODZKL-GFCCVEGCSA-N 1 2 316.304 2.399 20 5 DEBDLO Nc1c(F)c(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000274698352 403079272 /nfs/dbraw/zinc/07/92/72/403079272.db2.gz SYAUOIBRSJPTIN-UHFFFAOYSA-N 1 2 305.313 2.354 20 5 DEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCC[C@@H]1O ZINC000285716944 403364161 /nfs/dbraw/zinc/36/41/61/403364161.db2.gz SRTWEANTRFJEDM-XPTSAGLGSA-N 1 2 300.305 2.466 20 5 DEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCC[C@@H]1O ZINC000285716944 403364166 /nfs/dbraw/zinc/36/41/66/403364166.db2.gz SRTWEANTRFJEDM-XPTSAGLGSA-N 1 2 300.305 2.466 20 5 DEBDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000331117880 403333317 /nfs/dbraw/zinc/33/33/17/403333317.db2.gz OGXXPIMCGHUWFA-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000331117880 403333322 /nfs/dbraw/zinc/33/33/22/403333322.db2.gz OGXXPIMCGHUWFA-BETUJISGSA-N 1 2 300.742 2.094 20 5 DEBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000331125088 403333984 /nfs/dbraw/zinc/33/39/84/403333984.db2.gz QXDWZIZSELJCMM-JTQLQIEISA-N 1 2 307.350 2.477 20 5 DEBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000331125088 403333988 /nfs/dbraw/zinc/33/39/88/403333988.db2.gz QXDWZIZSELJCMM-JTQLQIEISA-N 1 2 307.350 2.477 20 5 DEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346008640 403567123 /nfs/dbraw/zinc/56/71/23/403567123.db2.gz CFFXXIIFYBFPTF-GFCCVEGCSA-N 1 2 319.342 2.345 20 5 DEBDLO Cc1cc(N[C@@H](C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340820953 403664346 /nfs/dbraw/zinc/66/43/46/403664346.db2.gz JEWJVJMYIZRGDP-CMPLNLGQSA-N 1 2 316.361 2.353 20 5 DEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354650149 403928550 /nfs/dbraw/zinc/92/85/50/403928550.db2.gz OLKLPFYRAWYSNC-UHFFFAOYSA-N 1 2 314.276 2.312 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1csnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412047224 404087632 /nfs/dbraw/zinc/08/76/32/404087632.db2.gz VJCGAHYTXNUNSR-DTWKUNHWSA-N 1 2 321.362 2.124 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412080001 404117189 /nfs/dbraw/zinc/11/71/89/404117189.db2.gz NLMKQDQCJMVYCE-QWHCGFSZSA-N 1 2 300.318 2.080 20 5 DEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371440919 404462874 /nfs/dbraw/zinc/46/28/74/404462874.db2.gz VEYQLFKJHCDSGQ-CYBMUJFWSA-N 1 2 315.333 2.094 20 5 DEBDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000377952883 404853197 /nfs/dbraw/zinc/85/31/97/404853197.db2.gz PBHQCYDJWWXZAW-LBPRGKRZSA-N 1 2 318.381 2.016 20 5 DEBDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000377952883 404853199 /nfs/dbraw/zinc/85/31/99/404853199.db2.gz PBHQCYDJWWXZAW-LBPRGKRZSA-N 1 2 318.381 2.016 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000367300336 405002748 /nfs/dbraw/zinc/00/27/48/405002748.db2.gz TTWBSUZMCXDBRO-GJZGRUSLSA-N 1 2 310.325 2.114 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000367300336 405002751 /nfs/dbraw/zinc/00/27/51/405002751.db2.gz TTWBSUZMCXDBRO-GJZGRUSLSA-N 1 2 310.325 2.114 20 5 DEBDLO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436617401 405110076 /nfs/dbraw/zinc/11/00/76/405110076.db2.gz HYXIPCZEFBGZQV-LLVKDONJSA-N 1 2 309.366 2.151 20 5 DEBDLO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436617401 405110077 /nfs/dbraw/zinc/11/00/77/405110077.db2.gz HYXIPCZEFBGZQV-LLVKDONJSA-N 1 2 309.366 2.151 20 5 DEBDLO O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000436953891 405167327 /nfs/dbraw/zinc/16/73/27/405167327.db2.gz SIFSPJDIZTYSDJ-UHFFFAOYSA-N 1 2 321.377 2.296 20 5 DEBDLO CC(C)(CF)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000354367728 405178273 /nfs/dbraw/zinc/17/82/73/405178273.db2.gz RXDBQBSEJDMALS-UHFFFAOYSA-N 1 2 306.297 2.258 20 5 DEBDLO COc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456394714 405542836 /nfs/dbraw/zinc/54/28/36/405542836.db2.gz SBLWJRFZOVINOQ-MWLCHTKSSA-N 1 2 316.317 2.236 20 5 DEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494035605 405632352 /nfs/dbraw/zinc/63/23/52/405632352.db2.gz ZWBHSZINTXVSPQ-BXUZGUMPSA-N 1 2 305.334 2.182 20 5 DEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494035605 405632361 /nfs/dbraw/zinc/63/23/61/405632361.db2.gz ZWBHSZINTXVSPQ-BXUZGUMPSA-N 1 2 305.334 2.182 20 5 DEBDLO COc1ccc2c(c1)CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 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CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000590801452 357615503 /nfs/dbraw/zinc/61/55/03/357615503.db2.gz GGPXOBKNKWOJBI-LLVKDONJSA-N 1 2 317.349 2.372 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593750448 358137450 /nfs/dbraw/zinc/13/74/50/358137450.db2.gz FSYDWFPMRJWGTJ-JTQLQIEISA-N 1 2 303.322 2.423 20 5 DEBDLO Cc1noc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595380474 358436008 /nfs/dbraw/zinc/43/60/08/358436008.db2.gz PGBLVLHAYOCARD-UHFFFAOYSA-N 1 2 313.317 2.367 20 5 DEBDLO CCCNC(=O)C1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCCCC1 ZINC000595384926 358436410 /nfs/dbraw/zinc/43/64/10/358436410.db2.gz PVAOBWYETZZXSK-UHFFFAOYSA-N 1 2 324.381 2.210 20 5 DEBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(C)c1 ZINC000596301150 358663611 /nfs/dbraw/zinc/66/36/11/358663611.db2.gz ZDTGPEPKEFKAIR-UHFFFAOYSA-N 1 2 314.345 2.360 20 5 DEBDLO COc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000597491341 358931990 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COc1cc(C[NH2+]Cc2ncccc2OC)c([N+](=O)[O-])cc1O ZINC000449745898 241019521 /nfs/dbraw/zinc/01/95/21/241019521.db2.gz DDEOJZGBFONYSR-UHFFFAOYSA-N 1 2 319.317 2.002 20 5 DEBDLO O=[N+]([O-])c1cnc(NCCn2cc[nH+]c2)c(Br)c1 ZINC000093433941 193250961 /nfs/dbraw/zinc/25/09/61/193250961.db2.gz GAIMYVGFLNVXRN-UHFFFAOYSA-N 1 2 312.127 2.061 20 5 DEBDLO Cc1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000266602396 205467767 /nfs/dbraw/zinc/46/77/67/205467767.db2.gz RQIRRPJQUXIFGR-UHFFFAOYSA-N 1 2 318.333 2.330 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000456394812 247156829 /nfs/dbraw/zinc/15/68/29/247156829.db2.gz RGCXUIVOVMWQMI-MRVPVSSYSA-N 1 2 321.312 2.024 20 5 DEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494035606 296234486 /nfs/dbraw/zinc/23/44/86/296234486.db2.gz ZWBHSZINTXVSPQ-FZMZJTMJSA-N 1 2 305.334 2.182 20 5 DEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494035606 296234488 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O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000162449235 285082522 /nfs/dbraw/zinc/08/25/22/285082522.db2.gz VCZZJDLPAMIXKN-LLVKDONJSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000162449235 285082523 /nfs/dbraw/zinc/08/25/23/285082523.db2.gz VCZZJDLPAMIXKN-LLVKDONJSA-N 1 2 315.167 2.314 20 5 DEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120364053 195152703 /nfs/dbraw/zinc/15/27/03/195152703.db2.gz YPUVPHATQBVLTK-UHFFFAOYSA-N 1 2 300.318 2.269 20 5 DEBDLO COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000294779446 533411219 /nfs/dbraw/zinc/41/12/19/533411219.db2.gz AKFXHWIQORWJHR-UHFFFAOYSA-N 1 2 317.349 2.350 20 5 DEBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc2c(c1)OCO2 ZINC000355790589 133048717 /nfs/dbraw/zinc/04/87/17/133048717.db2.gz GVYRBMGCIKPKQY-UHFFFAOYSA-N 1 2 318.333 2.079 20 5 DEBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc2c(c1)OCO2 ZINC000355790589 133048718 /nfs/dbraw/zinc/04/87/18/133048718.db2.gz GVYRBMGCIKPKQY-UHFFFAOYSA-N 1 2 318.333 2.079 20 5 DEBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000376499350 133297280 /nfs/dbraw/zinc/29/72/80/133297280.db2.gz CQGMIPXTZXOQKC-AAEUAGOBSA-N 1 2 301.350 2.306 20 5 DEBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000376499350 133297281 /nfs/dbraw/zinc/29/72/81/133297281.db2.gz CQGMIPXTZXOQKC-AAEUAGOBSA-N 1 2 301.350 2.306 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377696684 133341878 /nfs/dbraw/zinc/34/18/78/133341878.db2.gz LEFJFLNUTCSUJE-HOTGVXAUSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377696684 133341879 /nfs/dbraw/zinc/34/18/79/133341879.db2.gz LEFJFLNUTCSUJE-HOTGVXAUSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1c(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189799461 145034506 /nfs/dbraw/zinc/03/45/06/145034506.db2.gz CBUHQSYBWLREFK-HNNXBMFYSA-N 1 2 305.378 2.250 20 5 DEBDLO Cc1c(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189799461 145034510 /nfs/dbraw/zinc/03/45/10/145034510.db2.gz CBUHQSYBWLREFK-HNNXBMFYSA-N 1 2 305.378 2.250 20 5 DEBDLO CC[C@@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000318561092 145368450 /nfs/dbraw/zinc/36/84/50/145368450.db2.gz IZTKMOPHPUMQJB-SNVBAGLBSA-N 1 2 304.306 2.208 20 5 DEBDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000349204886 146358691 /nfs/dbraw/zinc/35/86/91/146358691.db2.gz VMJMZKOPJYSTJD-UWVGGRQHSA-N 1 2 304.306 2.261 20 5 DEBDLO Cc1nc(C(C)(C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000357099458 147041742 /nfs/dbraw/zinc/04/17/42/147041742.db2.gz HSPWVSUVWBHFIV-UHFFFAOYSA-N 1 2 306.322 2.190 20 5 DEBDLO COc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000360735764 147375016 /nfs/dbraw/zinc/37/50/16/147375016.db2.gz DXWSAXIJAZNONV-JTQLQIEISA-N 1 2 316.317 2.001 20 5 DEBDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000112496435 401747753 /nfs/dbraw/zinc/74/77/53/401747753.db2.gz RWSQBWYCELYALJ-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000073108937 401716327 /nfs/dbraw/zinc/71/63/27/401716327.db2.gz WMVGSGFWDAPHDA-CYBMUJFWSA-N 1 2 319.361 2.001 20 5 DEBDLO C[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000026348450 401839671 /nfs/dbraw/zinc/83/96/71/401839671.db2.gz HHDJCGVMFMRTDB-UHFFFAOYSA-N 1 2 324.340 2.235 20 5 DEBDLO C[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000026348450 401839675 /nfs/dbraw/zinc/83/96/75/401839675.db2.gz HHDJCGVMFMRTDB-UHFFFAOYSA-N 1 2 324.340 2.235 20 5 DEBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000026366775 401839732 /nfs/dbraw/zinc/83/97/32/401839732.db2.gz YZSZXTZOIHVCLE-UHFFFAOYSA-N 1 2 315.329 2.209 20 5 DEBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000026366775 401839734 /nfs/dbraw/zinc/83/97/34/401839734.db2.gz YZSZXTZOIHVCLE-UHFFFAOYSA-N 1 2 315.329 2.209 20 5 DEBDLO Cc1cccn2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000078596567 401857235 /nfs/dbraw/zinc/85/72/35/401857235.db2.gz WAZFVQCXNVTMIP-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000155078319 402244219 /nfs/dbraw/zinc/24/42/19/402244219.db2.gz HGLQFVCNYRZKIP-UHFFFAOYSA-N 1 2 302.334 2.262 20 5 DEBDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000178773636 402537476 /nfs/dbraw/zinc/53/74/76/402537476.db2.gz RRERWGGMPPKWSW-DGCLKSJQSA-N 1 2 314.345 2.231 20 5 DEBDLO Cc1sc(C(=O)NCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000263780141 402802889 /nfs/dbraw/zinc/80/28/89/402802889.db2.gz GVXRVVWTSIBNKN-UHFFFAOYSA-N 1 2 320.374 2.428 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272543930 402951178 /nfs/dbraw/zinc/95/11/78/402951178.db2.gz NYYFPFHFGTXWCH-SNVBAGLBSA-N 1 2 324.287 2.088 20 5 DEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272561879 402953494 /nfs/dbraw/zinc/95/34/94/402953494.db2.gz QUEDTMVHUPZUOG-JTQLQIEISA-N 1 2 316.317 2.043 20 5 DEBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000267174186 403021821 /nfs/dbraw/zinc/02/18/21/403021821.db2.gz CTKNGVFJEZOWPI-NSHDSACASA-N 1 2 306.391 2.208 20 5 DEBDLO CCOc1cccc(N[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000273123637 402974526 /nfs/dbraw/zinc/97/45/26/402974526.db2.gz ACLUFHPDTRKYNM-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC1=C(C)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280762558 403034422 /nfs/dbraw/zinc/03/44/22/403034422.db2.gz OJPXMLOKWNWYGO-UHFFFAOYSA-N 1 2 324.402 2.411 20 5 DEBDLO CC1=C(C)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280762558 403034423 /nfs/dbraw/zinc/03/44/23/403034423.db2.gz OJPXMLOKWNWYGO-UHFFFAOYSA-N 1 2 324.402 2.411 20 5 DEBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000283110065 403172208 /nfs/dbraw/zinc/17/22/08/403172208.db2.gz MHUUBVBHFGXTNS-CQSZACIVSA-N 1 2 323.368 2.031 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000282378773 403148121 /nfs/dbraw/zinc/14/81/21/403148121.db2.gz CQJBNTOXJUWURO-ABAIWWIYSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000282378773 403148124 /nfs/dbraw/zinc/14/81/24/403148124.db2.gz CQJBNTOXJUWURO-ABAIWWIYSA-N 1 2 310.325 2.114 20 5 DEBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000283625765 403211065 /nfs/dbraw/zinc/21/10/65/403211065.db2.gz BAFQAUOUFJDLJF-RMKNXTFCSA-N 1 2 314.345 2.470 20 5 DEBDLO CC(C)[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276449908 403176656 /nfs/dbraw/zinc/17/66/56/403176656.db2.gz BQTBQILGWMYGJI-GFCCVEGCSA-N 1 2 303.322 2.027 20 5 DEBDLO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000276493382 403180685 /nfs/dbraw/zinc/18/06/85/403180685.db2.gz STECVTKPUHMQGK-UHFFFAOYSA-N 1 2 323.393 2.494 20 5 DEBDLO CC(=O)N1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000271201142 403277804 /nfs/dbraw/zinc/27/78/04/403277804.db2.gz ULWLPAQDCXGMOF-IYNGYCSASA-N 1 2 303.362 2.161 20 5 DEBDLO CC(=O)N1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000271201142 403277805 /nfs/dbraw/zinc/27/78/05/403277805.db2.gz ULWLPAQDCXGMOF-IYNGYCSASA-N 1 2 303.362 2.161 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000339081058 403348204 /nfs/dbraw/zinc/34/82/04/403348204.db2.gz HIFUEQZTJMPIJD-AWEZNQCLSA-N 1 2 306.293 2.263 20 5 DEBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339124885 403363058 /nfs/dbraw/zinc/36/30/58/403363058.db2.gz LUWOPZZZFFLNQJ-UHFFFAOYSA-N 1 2 316.361 2.465 20 5 DEBDLO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nncn1C ZINC000285492137 403310211 /nfs/dbraw/zinc/31/02/11/403310211.db2.gz WVPLEDBJWCJFCD-CYBMUJFWSA-N 1 2 307.329 2.349 20 5 DEBDLO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c[nH+]1 ZINC000345619332 403407458 /nfs/dbraw/zinc/40/74/58/403407458.db2.gz LWLVOMQGRCGICL-UHFFFAOYSA-N 1 2 306.347 2.047 20 5 DEBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH+]1 ZINC000299024642 403504062 /nfs/dbraw/zinc/50/40/62/403504062.db2.gz MJVLUGXOZNUNOZ-UHFFFAOYSA-N 1 2 317.349 2.094 20 5 DEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332461645 403588019 /nfs/dbraw/zinc/58/80/19/403588019.db2.gz QJQQTQSTZACQAD-UHFFFAOYSA-N 1 2 315.333 2.041 20 5 DEBDLO COCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000299659878 403563691 /nfs/dbraw/zinc/56/36/91/403563691.db2.gz NLHBHYFBQCCARW-UHFFFAOYSA-N 1 2 315.167 2.362 20 5 DEBDLO COCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000299659878 403563694 /nfs/dbraw/zinc/56/36/94/403563694.db2.gz NLHBHYFBQCCARW-UHFFFAOYSA-N 1 2 315.167 2.362 20 5 DEBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)[nH+]c2c1 ZINC000347397596 403694428 /nfs/dbraw/zinc/69/44/28/403694428.db2.gz WQIPSSZDGHIIDO-UHFFFAOYSA-N 1 2 300.274 2.074 20 5 DEBDLO C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000288054210 403716508 /nfs/dbraw/zinc/71/65/08/403716508.db2.gz XXBCQHAZVQYHHT-ABAIWWIYSA-N 1 2 301.350 2.461 20 5 DEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347936533 403964172 /nfs/dbraw/zinc/96/41/72/403964172.db2.gz NMYPKWXLYUITQU-LBPRGKRZSA-N 1 2 304.281 2.434 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCC(C)(C)[N+](=O)[O-])CC1(C)C ZINC000295935191 404020763 /nfs/dbraw/zinc/02/07/63/404020763.db2.gz PSGYMCUQLHWNLW-LBPRGKRZSA-N 1 2 308.382 2.165 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1csnn1 ZINC000412048368 404085915 /nfs/dbraw/zinc/08/59/15/404085915.db2.gz XKRKEMJEGGQCLL-SECBINFHSA-N 1 2 321.362 2.044 20 5 DEBDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290118985 404048856 /nfs/dbraw/zinc/04/88/56/404048856.db2.gz YLSOQYMJPSBKDH-SSDOTTSWSA-N 1 2 318.160 2.209 20 5 DEBDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290118985 404048861 /nfs/dbraw/zinc/04/88/61/404048861.db2.gz YLSOQYMJPSBKDH-SSDOTTSWSA-N 1 2 318.160 2.209 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412163216 404167274 /nfs/dbraw/zinc/16/72/74/404167274.db2.gz RWHJIGUAJJVUPD-QWHCGFSZSA-N 1 2 300.318 2.046 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nc3ncccn3n1)CCC2 ZINC000414269876 404560492 /nfs/dbraw/zinc/56/04/92/404560492.db2.gz LBYYLOLTDPAPOJ-CQSZACIVSA-N 1 2 324.344 2.200 20 5 DEBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000353172438 404761136 /nfs/dbraw/zinc/76/11/36/404761136.db2.gz LJBRTVXLULLVAV-MRXNPFEDSA-N 1 2 324.377 2.469 20 5 DEBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000353172438 404761138 /nfs/dbraw/zinc/76/11/38/404761138.db2.gz LJBRTVXLULLVAV-MRXNPFEDSA-N 1 2 324.377 2.469 20 5 DEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)CCC2 ZINC000376636188 404826232 /nfs/dbraw/zinc/82/62/32/404826232.db2.gz FFKXNNIFDJOCIC-LLVKDONJSA-N 1 2 304.354 2.131 20 5 DEBDLO CCc1c[nH+]ccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435875444 405023695 /nfs/dbraw/zinc/02/36/95/405023695.db2.gz CRIBPWSPGOOMES-UHFFFAOYSA-N 1 2 301.302 2.235 20 5 DEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1C ZINC000361210783 404975858 /nfs/dbraw/zinc/97/58/58/404975858.db2.gz MMRGOQTXVDWGRQ-CYBMUJFWSA-N 1 2 316.361 2.213 20 5 DEBDLO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367513272 405070867 /nfs/dbraw/zinc/07/08/67/405070867.db2.gz KWQAILJGTQFBLK-LLVKDONJSA-N 1 2 319.361 2.047 20 5 DEBDLO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367513272 405070871 /nfs/dbraw/zinc/07/08/71/405070871.db2.gz KWQAILJGTQFBLK-LLVKDONJSA-N 1 2 319.361 2.047 20 5 DEBDLO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869191 405155552 /nfs/dbraw/zinc/15/55/52/405155552.db2.gz LYIKYPZDGCJKSA-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869191 405155561 /nfs/dbraw/zinc/15/55/61/405155561.db2.gz LYIKYPZDGCJKSA-LBPRGKRZSA-N 1 2 321.377 2.295 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454280778 405321952 /nfs/dbraw/zinc/32/19/52/405321952.db2.gz RAGRDAPGLRUNDZ-CMPLNLGQSA-N 1 2 315.333 2.297 20 5 DEBDLO CCc1cc(NC[C@H](O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420627651 405363951 /nfs/dbraw/zinc/36/39/51/405363951.db2.gz OCRFIPOHKWOGFJ-CQSZACIVSA-N 1 2 316.361 2.219 20 5 DEBDLO Cc1cc(C)c(CNC(=O)CNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000456863504 405595990 /nfs/dbraw/zinc/59/59/90/405595990.db2.gz RCFCNTVLQNXQQT-UHFFFAOYSA-N 1 2 314.345 2.335 20 5 DEBDLO C[NH+](C)Cc1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000457283139 405779160 /nfs/dbraw/zinc/77/91/60/405779160.db2.gz CMVLDCUWIWFGNE-UHFFFAOYSA-N 1 2 320.374 2.294 20 5 DEBDLO CCc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000290971674 222039024 /nfs/dbraw/zinc/03/90/24/222039024.db2.gz TZPYBQIGRPLFJA-UHFFFAOYSA-N 1 2 300.318 2.010 20 5 DEBDLO C[C@@H]1OCC[C@@]1(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413267193 228300038 /nfs/dbraw/zinc/30/00/38/228300038.db2.gz MUDWOHMGQGPTSI-ZUZCIYMTSA-N 1 2 303.318 2.095 20 5 DEBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1 ZINC000302081516 230085304 /nfs/dbraw/zinc/08/53/04/230085304.db2.gz CDWLCLWICCOYJO-UHFFFAOYSA-N 1 2 314.349 2.382 20 5 DEBDLO Cc1cc(N)nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH+]1 ZINC000361972134 424848832 /nfs/dbraw/zinc/84/88/32/424848832.db2.gz PIRAYWPJAFXQPD-UHFFFAOYSA-N 1 2 316.346 2.444 20 5 DEBDLO CC(C)c1[nH]nc(C(=O)Nc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000452334265 276042150 /nfs/dbraw/zinc/04/21/50/276042150.db2.gz MINUHJNYMOWRJP-UHFFFAOYSA-N 1 2 318.337 2.226 20 5 DEBDLO CCN1CC[NH+]([C@@H]2CCN(c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000106478968 276198662 /nfs/dbraw/zinc/19/86/62/276198662.db2.gz NMGWOZIIOMRASH-OAHLLOKOSA-N 1 2 318.421 2.119 20 5 DEBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000347969220 278000081 /nfs/dbraw/zinc/00/00/81/278000081.db2.gz BVDCPNNFKMCCCI-VIFPVBQESA-N 1 2 318.337 2.142 20 5 DEBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000347969220 278000082 /nfs/dbraw/zinc/00/00/82/278000082.db2.gz BVDCPNNFKMCCCI-VIFPVBQESA-N 1 2 318.337 2.142 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](C2CCCC2)CC1 ZINC000184636927 304533352 /nfs/dbraw/zinc/53/33/52/304533352.db2.gz QRYIFRXIBZEKOC-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO CNc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000584275724 332180792 /nfs/dbraw/zinc/18/07/92/332180792.db2.gz HMHKHRJTITYORF-BXKDBHETSA-N 1 2 315.333 2.269 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000387871364 333182219 /nfs/dbraw/zinc/18/22/19/333182219.db2.gz BJBBSUDYLPQQMC-PRHODGIISA-N 1 2 315.167 2.170 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000387871364 333182221 /nfs/dbraw/zinc/18/22/21/333182221.db2.gz BJBBSUDYLPQQMC-PRHODGIISA-N 1 2 315.167 2.170 20 5 DEBDLO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000583291611 337307656 /nfs/dbraw/zinc/30/76/56/337307656.db2.gz XAZNLOUZRHOFFC-LLVKDONJSA-N 1 2 317.349 2.387 20 5 DEBDLO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246092749 523606379 /nfs/dbraw/zinc/60/63/79/523606379.db2.gz HZWQURRQZHCARR-VXGBXAGGSA-N 1 2 307.350 2.033 20 5 DEBDLO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246092749 523606386 /nfs/dbraw/zinc/60/63/86/523606386.db2.gz HZWQURRQZHCARR-VXGBXAGGSA-N 1 2 307.350 2.033 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368465980 526989736 /nfs/dbraw/zinc/98/97/36/526989736.db2.gz NYOJDDSULNALLV-WFBYXXMGSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368465980 526989741 /nfs/dbraw/zinc/98/97/41/526989741.db2.gz NYOJDDSULNALLV-WFBYXXMGSA-N 1 2 323.780 2.334 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000835192540 649889561 /nfs/dbraw/zinc/88/95/61/649889561.db2.gz GBAFKEZQKLUCHP-UHFFFAOYSA-N 1 2 317.301 2.035 20 5 DEBDLO O=C(OC1CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835257326 649897540 /nfs/dbraw/zinc/89/75/40/649897540.db2.gz YVZAXRXDRUIYSA-UHFFFAOYSA-N 1 2 317.301 2.116 20 5 DEBDLO CC(C)CNC(=O)CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330546739 1149187190 /nfs/dbraw/zinc/18/71/90/1149187190.db2.gz IVCLLIDSNYZANC-UHFFFAOYSA-N 1 2 305.378 2.463 20 5 DEBDLO CC(C)CNC(=O)CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330546739 1149187210 /nfs/dbraw/zinc/18/72/10/1149187210.db2.gz IVCLLIDSNYZANC-UHFFFAOYSA-N 1 2 305.378 2.463 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000176805440 625299068 /nfs/dbraw/zinc/29/90/68/625299068.db2.gz KERIWBUGKGASBQ-HNNXBMFYSA-N 1 2 316.361 2.082 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000176805440 625299075 /nfs/dbraw/zinc/29/90/75/625299075.db2.gz KERIWBUGKGASBQ-HNNXBMFYSA-N 1 2 316.361 2.082 20 5 DEBDLO Cc1c(-c2noc([C@H]3C[N@@H+](C)C[C@H](C)O3)n2)cccc1[N+](=O)[O-] ZINC000924092546 625138310 /nfs/dbraw/zinc/13/83/10/625138310.db2.gz FIWHJXDFJSWOKT-TVQRCGJNSA-N 1 2 318.333 2.345 20 5 DEBDLO Cc1c(-c2noc([C@H]3C[N@H+](C)C[C@H](C)O3)n2)cccc1[N+](=O)[O-] ZINC000924092546 625138312 /nfs/dbraw/zinc/13/83/12/625138312.db2.gz FIWHJXDFJSWOKT-TVQRCGJNSA-N 1 2 318.333 2.345 20 5 DEBDLO C/C(=C/C(=O)NCCc1cn(C)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000837717006 650255286 /nfs/dbraw/zinc/25/52/86/650255286.db2.gz ZZMIHYQAIOCDNL-XFXZXTDPSA-N 1 2 314.345 2.091 20 5 DEBDLO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895399495 638003979 /nfs/dbraw/zinc/00/39/79/638003979.db2.gz FCBNOZHUVFKULR-UHFFFAOYSA-N 1 2 311.769 2.349 20 5 DEBDLO CC1(C)CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895399495 638003982 /nfs/dbraw/zinc/00/39/82/638003982.db2.gz FCBNOZHUVFKULR-UHFFFAOYSA-N 1 2 311.769 2.349 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(n3cc[nH+]c3)C2)c1C ZINC000896355927 638483192 /nfs/dbraw/zinc/48/31/92/638483192.db2.gz AKLHAWFWCVHIJY-UHFFFAOYSA-N 1 2 300.318 2.105 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000896651388 638625232 /nfs/dbraw/zinc/62/52/32/638625232.db2.gz SREOGESQCPSHNQ-UHFFFAOYSA-N 1 2 307.741 2.422 20 5 DEBDLO Cc1nn(C[N@@H+]2CCS[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749950717 638696253 /nfs/dbraw/zinc/69/62/53/638696253.db2.gz OPJREKFIHCEXIC-SECBINFHSA-N 1 2 307.379 2.043 20 5 DEBDLO Cc1nn(C[N@H+]2CCS[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749950717 638696255 /nfs/dbraw/zinc/69/62/55/638696255.db2.gz OPJREKFIHCEXIC-SECBINFHSA-N 1 2 307.379 2.043 20 5 DEBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])cc2C=O)cc[nH+]1 ZINC000762467073 640429184 /nfs/dbraw/zinc/42/91/84/640429184.db2.gz BPCFCGVBVFDZEL-UHFFFAOYSA-N 1 2 301.302 2.447 20 5 DEBDLO Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898483473 641672759 /nfs/dbraw/zinc/67/27/59/641672759.db2.gz KMKORGADIPRGKG-GFCCVEGCSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898483473 641672763 /nfs/dbraw/zinc/67/27/63/641672763.db2.gz KMKORGADIPRGKG-GFCCVEGCSA-N 1 2 309.341 2.067 20 5 DEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901218748 642598960 /nfs/dbraw/zinc/59/89/60/642598960.db2.gz VFWNKDAGMCRDDJ-MFKMUULPSA-N 1 2 305.334 2.256 20 5 DEBDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000783679865 643037118 /nfs/dbraw/zinc/03/71/18/643037118.db2.gz SAJCRVWZXLZVRV-UHFFFAOYSA-N 1 2 320.736 2.302 20 5 DEBDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000783679865 643037127 /nfs/dbraw/zinc/03/71/27/643037127.db2.gz SAJCRVWZXLZVRV-UHFFFAOYSA-N 1 2 320.736 2.302 20 5 DEBDLO Cc1csc(C[C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000902541657 643060638 /nfs/dbraw/zinc/06/06/38/643060638.db2.gz RGJXTENOASQIHX-LLVKDONJSA-N 1 2 307.379 2.078 20 5 DEBDLO Cc1csc(C[C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000902541657 643060642 /nfs/dbraw/zinc/06/06/42/643060642.db2.gz RGJXTENOASQIHX-LLVKDONJSA-N 1 2 307.379 2.078 20 5 DEBDLO O=C(OCc1ccon1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677964 643262574 /nfs/dbraw/zinc/26/25/74/643262574.db2.gz OHWLWPJGWXCZSQ-UHFFFAOYSA-N 1 2 314.257 2.126 20 5 DEBDLO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000796583132 644758654 /nfs/dbraw/zinc/75/86/54/644758654.db2.gz SRZHYAVVOJUFFY-UHFFFAOYSA-N 1 2 309.341 2.225 20 5 DEBDLO Cc1cc(OCC(=O)OCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000797498352 644888261 /nfs/dbraw/zinc/88/82/61/644888261.db2.gz NMHLCZHMWNZHNE-UHFFFAOYSA-N 1 2 319.317 2.112 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CC(C)(C)CC1=O ZINC000808187362 646053697 /nfs/dbraw/zinc/05/36/97/646053697.db2.gz FXGRXLVSKLZBKJ-UHFFFAOYSA-N 1 2 305.378 2.285 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CC(C)(C)CC1=O ZINC000808187362 646053702 /nfs/dbraw/zinc/05/37/02/646053702.db2.gz FXGRXLVSKLZBKJ-UHFFFAOYSA-N 1 2 305.378 2.285 20 5 DEBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000812297702 646627630 /nfs/dbraw/zinc/62/76/30/646627630.db2.gz AOFCTIUQKYEHGS-UHFFFAOYSA-N 1 2 306.709 2.101 20 5 DEBDLO C[C@@H]1CSCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172515159 646740934 /nfs/dbraw/zinc/74/09/34/646740934.db2.gz NUGFZOSYAFXWQO-LLVKDONJSA-N 1 2 319.390 2.248 20 5 DEBDLO C[C@@H]1CSCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172515159 646740936 /nfs/dbraw/zinc/74/09/36/646740936.db2.gz NUGFZOSYAFXWQO-LLVKDONJSA-N 1 2 319.390 2.248 20 5 DEBDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000817374156 647280184 /nfs/dbraw/zinc/28/01/84/647280184.db2.gz IHZUYBKKVMLQLK-RYUDHWBXSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000817374156 647280186 /nfs/dbraw/zinc/28/01/86/647280186.db2.gz IHZUYBKKVMLQLK-RYUDHWBXSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000175245732 648339146 /nfs/dbraw/zinc/33/91/46/648339146.db2.gz XWYQVYNGCKKEQZ-LBPRGKRZSA-N 1 2 301.350 2.089 20 5 DEBDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000175245732 648339152 /nfs/dbraw/zinc/33/91/52/648339152.db2.gz XWYQVYNGCKKEQZ-LBPRGKRZSA-N 1 2 301.350 2.089 20 5 DEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823359022 648402742 /nfs/dbraw/zinc/40/27/42/648402742.db2.gz DJDMXNSFWSOXOK-UHFFFAOYSA-N 1 2 302.334 2.298 20 5 DEBDLO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000857979743 652227696 /nfs/dbraw/zinc/22/76/96/652227696.db2.gz DSHJQYCLNHCKRF-ZHZWZMEUSA-N 1 2 312.329 2.456 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000853798215 652605098 /nfs/dbraw/zinc/60/50/98/652605098.db2.gz CKPVPVGGAAVBTI-MNOVXSKESA-N 1 2 324.337 2.024 20 5 DEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000853798215 652605100 /nfs/dbraw/zinc/60/51/00/652605100.db2.gz CKPVPVGGAAVBTI-MNOVXSKESA-N 1 2 324.337 2.024 20 5 DEBDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000928245350 693747412 /nfs/dbraw/zinc/74/74/12/693747412.db2.gz OARUVTAWSAVJNR-LLVKDONJSA-N 1 2 302.334 2.138 20 5 DEBDLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929156623 693907963 /nfs/dbraw/zinc/90/79/63/693907963.db2.gz NOMYRBUIJLWFLD-LSDHHAIUSA-N 1 2 314.345 2.101 20 5 DEBDLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044854 688918279 /nfs/dbraw/zinc/91/82/79/688918279.db2.gz GHLVOAGVYNORRL-SNVBAGLBSA-N 1 2 309.341 2.443 20 5 DEBDLO COC(=O)/C=C\c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000931326383 694369213 /nfs/dbraw/zinc/36/92/13/694369213.db2.gz AHAIQXSDWBVYIE-HYXAFXHYSA-N 1 2 316.317 2.090 20 5 DEBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000879334049 690621701 /nfs/dbraw/zinc/62/17/01/690621701.db2.gz HIZNBXYYPHAXEZ-NSHDSACASA-N 1 2 324.356 2.017 20 5 DEBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000879334049 690621703 /nfs/dbraw/zinc/62/17/03/690621703.db2.gz HIZNBXYYPHAXEZ-NSHDSACASA-N 1 2 324.356 2.017 20 5 DEBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886065788 691996123 /nfs/dbraw/zinc/99/61/23/691996123.db2.gz WIOCYBHPNVSRIU-LLVKDONJSA-N 1 2 324.381 2.335 20 5 DEBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886065788 691996126 /nfs/dbraw/zinc/99/61/26/691996126.db2.gz WIOCYBHPNVSRIU-LLVKDONJSA-N 1 2 324.381 2.335 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](C)CC1 ZINC000932344240 694597335 /nfs/dbraw/zinc/59/73/35/694597335.db2.gz REPTVTBWDZOGLO-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](C)CC1 ZINC000932344240 694597336 /nfs/dbraw/zinc/59/73/36/694597336.db2.gz REPTVTBWDZOGLO-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO C[N@@H+]1CCOC[C@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169651911 785284407 /nfs/dbraw/zinc/28/44/07/785284407.db2.gz BKLKTDTXKBEHMH-LLVKDONJSA-N 1 2 320.324 2.025 20 5 DEBDLO C[N@H+]1CCOC[C@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169651911 785284413 /nfs/dbraw/zinc/28/44/13/785284413.db2.gz BKLKTDTXKBEHMH-LLVKDONJSA-N 1 2 320.324 2.025 20 5 DEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC001170334940 786914737 /nfs/dbraw/zinc/91/47/37/786914737.db2.gz JNKPUROPYADODF-GFCCVEGCSA-N 1 2 316.361 2.247 20 5 DEBDLO COc1ccc(C[C@@H](C)[N@H+]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC001170334940 786914742 /nfs/dbraw/zinc/91/47/42/786914742.db2.gz JNKPUROPYADODF-GFCCVEGCSA-N 1 2 316.361 2.247 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2noc(C)n2)c1F ZINC001173174980 793617809 /nfs/dbraw/zinc/61/78/09/793617809.db2.gz HSHXBMUVAGQAMB-QMMMGPOBSA-N 1 2 324.312 2.155 20 5 DEBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1c1cnccn1 ZINC001177014973 794556810 /nfs/dbraw/zinc/55/68/10/794556810.db2.gz DFOBTGNXDCFGEM-ZDUSSCGKSA-N 1 2 313.361 2.096 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1c1cnccn1 ZINC001177014973 794556815 /nfs/dbraw/zinc/55/68/15/794556815.db2.gz DFOBTGNXDCFGEM-ZDUSSCGKSA-N 1 2 313.361 2.096 20 5 DEBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(F)CC2)nc1-c1ccncc1 ZINC001119328932 795288805 /nfs/dbraw/zinc/28/88/05/795288805.db2.gz BDFJDQUWLXKKIO-UHFFFAOYSA-N 1 2 305.313 2.245 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1c3c(ccc1[N+](=O)[O-])NCC3)C2 ZINC001119981054 795382744 /nfs/dbraw/zinc/38/27/44/795382744.db2.gz SHXFFBVLPGKREK-UHFFFAOYSA-N 1 2 313.361 2.342 20 5 DEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]([NH3+])C(F)F ZINC001121854960 795695728 /nfs/dbraw/zinc/69/57/28/795695728.db2.gz UZUVEJGGWNGYKQ-LBPRGKRZSA-N 1 2 315.320 2.314 20 5 DEBDLO [NH3+][C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001121872004 795698086 /nfs/dbraw/zinc/69/80/86/795698086.db2.gz GTMCWEDHVKIMJP-GFCCVEGCSA-N 1 2 315.320 2.016 20 5 DEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001124076336 796031535 /nfs/dbraw/zinc/03/15/35/796031535.db2.gz ZARSSOVAKJTFCS-UHFFFAOYSA-N 1 2 314.345 2.413 20 5 DEBDLO O=[N+]([O-])c1cnc(Cl)nc1NCCc1cn2ccccc2[nH+]1 ZINC001158142893 798350406 /nfs/dbraw/zinc/35/04/06/798350406.db2.gz XAQAZNQMVJIRBU-UHFFFAOYSA-N 1 2 318.724 2.341 20 5 DEBDLO CC(C)n1c[nH+]cc1CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001161565714 798886475 /nfs/dbraw/zinc/88/64/75/798886475.db2.gz RVIULKVQVJBJLS-UHFFFAOYSA-N 1 2 311.729 2.271 20 5 DEBDLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000933160254 800028309 /nfs/dbraw/zinc/02/83/09/800028309.db2.gz QMGFJCPMNOUDPW-CJNGLKHVSA-N 1 2 304.346 2.165 20 5 DEBDLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000933160254 800028311 /nfs/dbraw/zinc/02/83/11/800028311.db2.gz QMGFJCPMNOUDPW-CJNGLKHVSA-N 1 2 304.346 2.165 20 5 DEBDLO C[C@H](OCCn1cc[nH+]c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001222134547 802647943 /nfs/dbraw/zinc/64/79/43/802647943.db2.gz GBKLLWOSYYJVQK-JTQLQIEISA-N 1 2 305.290 2.298 20 5 DEBDLO C[C@@H](C[NH+](C)C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228859654 803422715 /nfs/dbraw/zinc/42/27/15/803422715.db2.gz MMWJXYHRXSTTED-LURJTMIESA-N 1 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O=C(NCc1ccncc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001624094638 1078216104 /nfs/dbraw/zinc/21/61/04/1078216104.db2.gz LODQFROKUMADJH-UHFFFAOYSA-N 1 2 323.312 2.106 20 5 DEBDLO Nc1[nH+]cccc1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001655488086 1080000889 /nfs/dbraw/zinc/00/08/89/1080000889.db2.gz UUQPDYHNSHBKEQ-UHFFFAOYSA-N 1 2 313.292 2.293 20 5 DEBDLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001672301333 1081580771 /nfs/dbraw/zinc/58/07/71/1081580771.db2.gz IPWLKQAYFJTOOD-UHFFFAOYSA-N 1 2 307.285 2.142 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])C(F)F)cc1[N+](=O)[O-] ZINC001340002046 1143228447 /nfs/dbraw/zinc/22/84/47/1143228447.db2.gz JFVSKSYYIIHAEZ-SCZZXKLOSA-N 1 2 301.293 2.063 20 5 DEBDLO CCOC(=O)N1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254558687 1143249511 /nfs/dbraw/zinc/24/95/11/1143249511.db2.gz HWRLZWIVQXTNEU-CYBMUJFWSA-N 1 2 321.377 2.300 20 5 DEBDLO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595721 1143271458 /nfs/dbraw/zinc/27/14/58/1143271458.db2.gz YRZFHPZTJCZJGL-GJZGRUSLSA-N 1 2 304.346 2.090 20 5 DEBDLO COC(=O)[C@@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595721 1143271470 /nfs/dbraw/zinc/27/14/70/1143271470.db2.gz YRZFHPZTJCZJGL-GJZGRUSLSA-N 1 2 304.346 2.090 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001262339531 1144307416 /nfs/dbraw/zinc/30/74/16/1144307416.db2.gz YAHLLOSPTIXSSX-UHFFFAOYSA-N 1 2 318.358 2.169 20 5 DEBDLO CC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442791087 529678480 /nfs/dbraw/zinc/67/84/80/529678480.db2.gz IRSHVZGNNUTNHV-MRVPVSSYSA-N 1 2 306.326 2.046 20 5 DEBDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181554416 199317202 /nfs/dbraw/zinc/31/72/02/199317202.db2.gz GZSOILXIEUSNJF-UHFFFAOYSA-N 1 2 312.391 2.241 20 5 DEBDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181554416 199317203 /nfs/dbraw/zinc/31/72/03/199317203.db2.gz GZSOILXIEUSNJF-UHFFFAOYSA-N 1 2 312.391 2.241 20 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Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000179423105 199032723 /nfs/dbraw/zinc/03/27/23/199032723.db2.gz QVSPHBWHVMTMAC-UHFFFAOYSA-N 1 2 302.334 2.147 20 5 DEBDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593056101 357997089 /nfs/dbraw/zinc/99/70/89/357997089.db2.gz XYFQZPRXNFNQOU-CYBMUJFWSA-N 1 2 321.377 2.423 20 5 DEBDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593056101 357997092 /nfs/dbraw/zinc/99/70/92/357997092.db2.gz XYFQZPRXNFNQOU-CYBMUJFWSA-N 1 2 321.377 2.423 20 5 DEBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000179858956 199088844 /nfs/dbraw/zinc/08/88/44/199088844.db2.gz IVURMLVFKCVDJK-LBPRGKRZSA-N 1 2 316.361 2.216 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000179858956 199088846 /nfs/dbraw/zinc/08/88/46/199088846.db2.gz IVURMLVFKCVDJK-LBPRGKRZSA-N 1 2 316.361 2.216 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@@]3(O)CCCOC3)c2c1 ZINC000593519833 358096005 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O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595475409 358459304 /nfs/dbraw/zinc/45/93/04/358459304.db2.gz OSQDONFSPORZPR-JTQLQIEISA-N 1 2 322.296 2.202 20 5 DEBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595475409 358459307 /nfs/dbraw/zinc/45/93/07/358459307.db2.gz OSQDONFSPORZPR-JTQLQIEISA-N 1 2 322.296 2.202 20 5 DEBDLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)O1 ZINC000595475409 358459309 /nfs/dbraw/zinc/45/93/09/358459309.db2.gz OSQDONFSPORZPR-JTQLQIEISA-N 1 2 322.296 2.202 20 5 DEBDLO O=C1N=NC([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)O1 ZINC000595475409 358459312 /nfs/dbraw/zinc/45/93/12/358459312.db2.gz OSQDONFSPORZPR-JTQLQIEISA-N 1 2 322.296 2.202 20 5 DEBDLO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000173518864 198223084 /nfs/dbraw/zinc/22/30/84/198223084.db2.gz UUMOYOQVDQWQCW-GFCCVEGCSA-N 1 2 310.350 2.093 20 5 DEBDLO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000173518864 198223086 /nfs/dbraw/zinc/22/30/86/198223086.db2.gz UUMOYOQVDQWQCW-GFCCVEGCSA-N 1 2 310.350 2.093 20 5 DEBDLO Cc1nn(C)c(NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000047331259 354313334 /nfs/dbraw/zinc/31/33/34/354313334.db2.gz NSTQNBPKPPUVNL-UHFFFAOYSA-N 1 2 316.365 2.244 20 5 DEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncccc1[N+](=O)[O-] ZINC000057839663 354581350 /nfs/dbraw/zinc/58/13/50/354581350.db2.gz XXZLEZIUUBVVSE-UHFFFAOYSA-N 1 2 315.255 2.385 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000067162088 354750154 /nfs/dbraw/zinc/75/01/54/354750154.db2.gz OWVPVLIMVAJFCL-UHFFFAOYSA-N 1 2 314.345 2.294 20 5 DEBDLO O=C(NCCNc1cccc[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000076990135 355177830 /nfs/dbraw/zinc/17/78/30/355177830.db2.gz DJFDIFKQKRSHCL-UHFFFAOYSA-N 1 2 320.736 2.485 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000085825745 355496325 /nfs/dbraw/zinc/49/63/25/355496325.db2.gz VSIKNALVSZRYMO-NSHDSACASA-N 1 2 317.349 2.085 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000085825745 355496330 /nfs/dbraw/zinc/49/63/30/355496330.db2.gz VSIKNALVSZRYMO-NSHDSACASA-N 1 2 317.349 2.085 20 5 DEBDLO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cn1 ZINC000093869896 355688674 /nfs/dbraw/zinc/68/86/74/355688674.db2.gz QCJFRDVPOFLDRO-GFCCVEGCSA-N 1 2 316.361 2.099 20 5 DEBDLO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cn1 ZINC000093869896 355688677 /nfs/dbraw/zinc/68/86/77/355688677.db2.gz QCJFRDVPOFLDRO-GFCCVEGCSA-N 1 2 316.361 2.099 20 5 DEBDLO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cn1 ZINC000093869895 355688795 /nfs/dbraw/zinc/68/87/95/355688795.db2.gz QCJFRDVPOFLDRO-LBPRGKRZSA-N 1 2 316.361 2.099 20 5 DEBDLO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cn1 ZINC000093869895 355688797 /nfs/dbraw/zinc/68/87/97/355688797.db2.gz QCJFRDVPOFLDRO-LBPRGKRZSA-N 1 2 316.361 2.099 20 5 DEBDLO COCCCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093561259 355685337 /nfs/dbraw/zinc/68/53/37/355685337.db2.gz ZZFVLDUGQSTLQN-UHFFFAOYSA-N 1 2 324.377 2.318 20 5 DEBDLO Cn1c[nH+]cc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292069853 356382476 /nfs/dbraw/zinc/38/24/76/356382476.db2.gz PRNWLCKLTIQBQN-UHFFFAOYSA-N 1 2 317.349 2.063 20 5 DEBDLO COC(=O)c1cc(NCc2c[nH+]cn2C)c(C)c([N+](=O)[O-])c1 ZINC000276928533 213182842 /nfs/dbraw/zinc/18/28/42/213182842.db2.gz MCYCWXMVVOKBPI-UHFFFAOYSA-N 1 2 304.306 2.035 20 5 DEBDLO CCOc1cc(C[N@H+](CC(=O)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000276866577 213142955 /nfs/dbraw/zinc/14/29/55/213142955.db2.gz HDGDMHPAKFOAMB-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO CCOc1cc(C[N@@H+](CC(=O)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000276866577 213142957 /nfs/dbraw/zinc/14/29/57/213142957.db2.gz HDGDMHPAKFOAMB-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593056840 357996803 /nfs/dbraw/zinc/99/68/03/357996803.db2.gz AVABGRCMMHLTAI-ZIAGYGMSSA-N 1 2 321.377 2.083 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593056840 357996806 /nfs/dbraw/zinc/99/68/06/357996806.db2.gz AVABGRCMMHLTAI-ZIAGYGMSSA-N 1 2 321.377 2.083 20 5 DEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286355719 291130831 /nfs/dbraw/zinc/13/08/31/291130831.db2.gz MUMREMFWUVUCEB-AAEUAGOBSA-N 1 2 309.341 2.033 20 5 DEBDLO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1O ZINC000594420460 358264431 /nfs/dbraw/zinc/26/44/31/358264431.db2.gz UVSDBHRJDFGMNW-KGLIPLIRSA-N 1 2 319.361 2.047 20 5 DEBDLO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1O ZINC000594420460 358264434 /nfs/dbraw/zinc/26/44/34/358264434.db2.gz UVSDBHRJDFGMNW-KGLIPLIRSA-N 1 2 319.361 2.047 20 5 DEBDLO Cc1noc(CN2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000595286071 358412231 /nfs/dbraw/zinc/41/22/31/358412231.db2.gz BWDKHYVHPKNHLR-UHFFFAOYSA-N 1 2 322.390 2.271 20 5 DEBDLO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c2[nH+]ccn21 ZINC000596256747 358652959 /nfs/dbraw/zinc/65/29/59/358652959.db2.gz FVLSKWFCADIMGQ-GZMMTYOYSA-N 1 2 301.306 2.008 20 5 DEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)Cc1c[nH+]c[nH]1 ZINC000596307370 358664527 /nfs/dbraw/zinc/66/45/27/358664527.db2.gz VMDPCXBFMZPXPW-UHFFFAOYSA-N 1 2 304.306 2.049 20 5 DEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)Cc1c[nH]c[nH+]1 ZINC000596307370 358664529 /nfs/dbraw/zinc/66/45/29/358664529.db2.gz VMDPCXBFMZPXPW-UHFFFAOYSA-N 1 2 304.306 2.049 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@H](C)CO1 ZINC000596426464 358684010 /nfs/dbraw/zinc/68/40/10/358684010.db2.gz AFSGAGAWNVZHOP-VXGBXAGGSA-N 1 2 320.393 2.084 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@H](C)CO1 ZINC000596426464 358684012 /nfs/dbraw/zinc/68/40/12/358684012.db2.gz AFSGAGAWNVZHOP-VXGBXAGGSA-N 1 2 320.393 2.084 20 5 DEBDLO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccnc1 ZINC000596594411 358721077 /nfs/dbraw/zinc/72/10/77/358721077.db2.gz UNYSREDSZBIKST-CQSZACIVSA-N 1 2 301.350 2.269 20 5 DEBDLO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccnc1 ZINC000596594411 358721081 /nfs/dbraw/zinc/72/10/81/358721081.db2.gz UNYSREDSZBIKST-CQSZACIVSA-N 1 2 301.350 2.269 20 5 DEBDLO C[C@@H]1[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCS1(=O)=O ZINC000599157778 359419062 /nfs/dbraw/zinc/41/90/62/359419062.db2.gz ACXYKQBDIRMYGR-NOZJJQNGSA-N 1 2 321.358 2.131 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601375734 360023548 /nfs/dbraw/zinc/02/35/48/360023548.db2.gz ZZOKHONDSWNJOH-JTQLQIEISA-N 1 2 318.308 2.097 20 5 DEBDLO COc1ccc(NC(=O)C[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000602151070 360288100 /nfs/dbraw/zinc/28/81/00/360288100.db2.gz PQPIVUKEUFMEJX-UHFFFAOYSA-N 1 2 305.334 2.169 20 5 DEBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1C ZINC000602440697 360374168 /nfs/dbraw/zinc/37/41/68/360374168.db2.gz RVIBMBYBIULYAA-UHFFFAOYSA-N 1 2 317.345 2.352 20 5 DEBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1C ZINC000602440697 360374172 /nfs/dbraw/zinc/37/41/72/360374172.db2.gz RVIBMBYBIULYAA-UHFFFAOYSA-N 1 2 317.345 2.352 20 5 DEBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccn(C)n1 ZINC000602688715 360499224 /nfs/dbraw/zinc/49/92/24/360499224.db2.gz YIIAEQOXXIVSRM-SECBINFHSA-N 1 2 301.306 2.320 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000603678672 360853091 /nfs/dbraw/zinc/85/30/91/360853091.db2.gz ZWRLDBZSRHKXPD-UHFFFAOYSA-N 1 2 307.260 2.428 20 5 DEBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610712620 361450855 /nfs/dbraw/zinc/45/08/55/361450855.db2.gz CKADAIPBJJGSLX-GFCCVEGCSA-N 1 2 318.308 2.408 20 5 DEBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252224 361561955 /nfs/dbraw/zinc/56/19/55/361561955.db2.gz XJYASZSICRCOIY-WCQYABFASA-N 1 2 322.361 2.365 20 5 DEBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252224 361561958 /nfs/dbraw/zinc/56/19/58/361561958.db2.gz XJYASZSICRCOIY-WCQYABFASA-N 1 2 322.361 2.365 20 5 DEBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2CCF)cc1[N+](=O)[O-] ZINC000281722616 216500295 /nfs/dbraw/zinc/50/02/95/216500295.db2.gz VPTOFJBCKYINDR-NSHDSACASA-N 1 2 307.329 2.315 20 5 DEBDLO O=C(NCCC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449972224 241312899 /nfs/dbraw/zinc/31/28/99/241312899.db2.gz NIZHCXOUFIRPEP-UHFFFAOYSA-N 1 2 300.318 2.310 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000266134129 205126233 /nfs/dbraw/zinc/12/62/33/205126233.db2.gz YPSJPTCUHLFKJT-UHFFFAOYSA-N 1 2 314.345 2.294 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000267637453 206187898 /nfs/dbraw/zinc/18/78/98/206187898.db2.gz AHCBYJUQUOOOCA-NSHDSACASA-N 1 2 317.349 2.197 20 5 DEBDLO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456441706 247195524 /nfs/dbraw/zinc/19/55/24/247195524.db2.gz ZKPNZJKVRSEBHE-RNCFNFMXSA-N 1 2 318.308 2.295 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000456405398 247167546 /nfs/dbraw/zinc/16/75/46/247167546.db2.gz XOVDBTOTEDRMMO-VIFPVBQESA-N 1 2 306.297 2.441 20 5 DEBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492758371 249132214 /nfs/dbraw/zinc/13/22/14/249132214.db2.gz ADEBLAKPYLSAHS-ONEGZZNKSA-N 1 2 320.736 2.343 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000110872193 194364600 /nfs/dbraw/zinc/36/46/00/194364600.db2.gz JSFUKYCJTRAPGI-CQSZACIVSA-N 1 2 322.361 2.331 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000110872193 194364603 /nfs/dbraw/zinc/36/46/03/194364603.db2.gz JSFUKYCJTRAPGI-CQSZACIVSA-N 1 2 322.361 2.331 20 5 DEBDLO CNc1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000559045009 291909395 /nfs/dbraw/zinc/90/93/95/291909395.db2.gz WUBQXQICYDTBLO-ZDUSSCGKSA-N 1 2 317.349 2.487 20 5 DEBDLO COCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289900875 221302696 /nfs/dbraw/zinc/30/26/96/221302696.db2.gz NBDHUVLEMARSQP-UHFFFAOYSA-N 1 2 323.176 2.342 20 5 DEBDLO COCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289900875 221302699 /nfs/dbraw/zinc/30/26/99/221302699.db2.gz NBDHUVLEMARSQP-UHFFFAOYSA-N 1 2 323.176 2.342 20 5 DEBDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341022336 132618301 /nfs/dbraw/zinc/61/83/01/132618301.db2.gz VNVKGAGZBNITQJ-SNVBAGLBSA-N 1 2 320.349 2.196 20 5 DEBDLO Cc1csc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C2CC2)n1 ZINC000347788855 132789636 /nfs/dbraw/zinc/78/96/36/132789636.db2.gz JWBGMVHGVPEFDT-NSHDSACASA-N 1 2 307.379 2.334 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000367852066 147798728 /nfs/dbraw/zinc/79/87/28/147798728.db2.gz COFHLFYRTDMZBO-UHFFFAOYSA-N 1 2 324.772 2.015 20 5 DEBDLO C[C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000565955331 292193851 /nfs/dbraw/zinc/19/38/51/292193851.db2.gz ZHIOZCBUGUOBCJ-LBPRGKRZSA-N 1 2 302.334 2.101 20 5 DEBDLO COC(=O)c1cc(C(=O)Nc2cc[nH+]c(C)c2)cc([N+](=O)[O-])c1 ZINC000010163187 401768777 /nfs/dbraw/zinc/76/87/77/401768777.db2.gz CDILHZLKAYMQJQ-UHFFFAOYSA-N 1 2 315.285 2.337 20 5 DEBDLO O=[N+]([O-])c1ccc(-c2ncn(Cc3[nH+]ccn3C(F)F)n2)cc1 ZINC000128450174 401777440 /nfs/dbraw/zinc/77/74/40/401777440.db2.gz NGCLTXGPKQJARH-UHFFFAOYSA-N 1 2 320.259 2.493 20 5 DEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000115159927 401820679 /nfs/dbraw/zinc/82/06/79/401820679.db2.gz LUFVIOREAKFBPG-UHFFFAOYSA-N 1 2 314.345 2.151 20 5 DEBDLO CCC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131240305 401846356 /nfs/dbraw/zinc/84/63/56/401846356.db2.gz ODZODTCDMARSQZ-AWEZNQCLSA-N 1 2 324.377 2.483 20 5 DEBDLO CCC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131240305 401846359 /nfs/dbraw/zinc/84/63/59/401846359.db2.gz ODZODTCDMARSQZ-AWEZNQCLSA-N 1 2 324.377 2.483 20 5 DEBDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116273318 401847205 /nfs/dbraw/zinc/84/72/05/401847205.db2.gz HVIZWPZDOFWBDR-ZDUSSCGKSA-N 1 2 311.769 2.349 20 5 DEBDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116273318 401847207 /nfs/dbraw/zinc/84/72/07/401847207.db2.gz HVIZWPZDOFWBDR-ZDUSSCGKSA-N 1 2 311.769 2.349 20 5 DEBDLO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000093138477 402012279 /nfs/dbraw/zinc/01/22/79/402012279.db2.gz UBWNALRKAIIYQK-GFCCVEGCSA-N 1 2 323.393 2.040 20 5 DEBDLO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000093138477 402012281 /nfs/dbraw/zinc/01/22/81/402012281.db2.gz UBWNALRKAIIYQK-GFCCVEGCSA-N 1 2 323.393 2.040 20 5 DEBDLO Cc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000093646124 402017855 /nfs/dbraw/zinc/01/78/55/402017855.db2.gz URDNTNIICBLWIA-UHFFFAOYSA-N 1 2 301.350 2.401 20 5 DEBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121497477 402040073 /nfs/dbraw/zinc/04/00/73/402040073.db2.gz PPODXYWTXHDDPC-UHFFFAOYSA-N 1 2 309.391 2.101 20 5 DEBDLO O=C(C1CC1)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121497477 402040074 /nfs/dbraw/zinc/04/00/74/402040074.db2.gz PPODXYWTXHDDPC-UHFFFAOYSA-N 1 2 309.391 2.101 20 5 DEBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000121588270 402045213 /nfs/dbraw/zinc/04/52/13/402045213.db2.gz JUAUEUYGUMCZFO-UHFFFAOYSA-N 1 2 321.352 2.178 20 5 DEBDLO O=C(C1CC1)N1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000121588270 402045216 /nfs/dbraw/zinc/04/52/16/402045216.db2.gz JUAUEUYGUMCZFO-UHFFFAOYSA-N 1 2 321.352 2.178 20 5 DEBDLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000153564075 402153314 /nfs/dbraw/zinc/15/33/14/402153314.db2.gz RFSYBBUMHBWYDG-NSHDSACASA-N 1 2 302.334 2.166 20 5 DEBDLO COc1ccc(OCC[N@@H+]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000154128984 402194111 /nfs/dbraw/zinc/19/41/11/402194111.db2.gz SXJNETBYWRIUMA-UHFFFAOYSA-N 1 2 322.361 2.237 20 5 DEBDLO COc1ccc(OCC[N@H+]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000154128984 402194113 /nfs/dbraw/zinc/19/41/13/402194113.db2.gz SXJNETBYWRIUMA-UHFFFAOYSA-N 1 2 322.361 2.237 20 5 DEBDLO COc1cccc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185361240 402347085 /nfs/dbraw/zinc/34/70/85/402347085.db2.gz RITNRLOIVCUDTG-VXGBXAGGSA-N 1 2 309.366 2.125 20 5 DEBDLO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000170640523 402509770 /nfs/dbraw/zinc/50/97/70/402509770.db2.gz QEZODROXWHRRKR-UHFFFAOYSA-N 1 2 324.337 2.026 20 5 DEBDLO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000170640523 402509773 /nfs/dbraw/zinc/50/97/73/402509773.db2.gz QEZODROXWHRRKR-UHFFFAOYSA-N 1 2 324.337 2.026 20 5 DEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cc[nH+]cc1C ZINC000166696804 402486642 /nfs/dbraw/zinc/48/66/42/402486642.db2.gz SVPVOCACXQXQGN-UHFFFAOYSA-N 1 2 314.345 2.312 20 5 DEBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170913922 402541492 /nfs/dbraw/zinc/54/14/92/402541492.db2.gz WFDFOLPDPRIRDD-AWEZNQCLSA-N 1 2 321.377 2.092 20 5 DEBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170913922 402541494 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GAVHKGDREDUQHJ-VIFPVBQESA-N 1 2 315.732 2.478 20 5 DEBDLO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880293943 690861889 /nfs/dbraw/zinc/86/18/89/690861889.db2.gz GAVHKGDREDUQHJ-VIFPVBQESA-N 1 2 315.732 2.478 20 5 DEBDLO C[N@H+](CC(F)F)C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882059147 691208911 /nfs/dbraw/zinc/20/89/11/691208911.db2.gz UIRCKNIPVFNHBL-UHFFFAOYSA-N 1 2 318.299 2.295 20 5 DEBDLO C[N@@H+](CC(F)F)C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882059147 691208914 /nfs/dbraw/zinc/20/89/14/691208914.db2.gz UIRCKNIPVFNHBL-UHFFFAOYSA-N 1 2 318.299 2.295 20 5 DEBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886002103 691981123 /nfs/dbraw/zinc/98/11/23/691981123.db2.gz QSCPQQCLLQOQTH-LBPRGKRZSA-N 1 2 322.365 2.089 20 5 DEBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886002103 691981126 /nfs/dbraw/zinc/98/11/26/691981126.db2.gz QSCPQQCLLQOQTH-LBPRGKRZSA-N 1 2 322.365 2.089 20 5 DEBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886080637 691999183 /nfs/dbraw/zinc/99/91/83/691999183.db2.gz DTDXHPFQYPRJQG-ZDUSSCGKSA-N 1 2 301.350 2.233 20 5 DEBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886080637 691999186 /nfs/dbraw/zinc/99/91/86/691999186.db2.gz DTDXHPFQYPRJQG-ZDUSSCGKSA-N 1 2 301.350 2.233 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889827117 692790793 /nfs/dbraw/zinc/79/07/93/692790793.db2.gz BAKXKLRAUBGBSL-UHFFFAOYSA-N 1 2 319.361 2.047 20 5 DEBDLO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000932130602 694555601 /nfs/dbraw/zinc/55/56/01/694555601.db2.gz NLWLBFWTXGKDDJ-GFCCVEGCSA-N 1 2 316.361 2.414 20 5 DEBDLO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000932130602 694555602 /nfs/dbraw/zinc/55/56/02/694555602.db2.gz NLWLBFWTXGKDDJ-GFCCVEGCSA-N 1 2 316.361 2.414 20 5 DEBDLO Cn1ncc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001355214172 1151991904 /nfs/dbraw/zinc/99/19/04/1151991904.db2.gz IYJWLMNVKAWIAB-UHFFFAOYSA-N 1 2 316.365 2.326 20 5 DEBDLO Cc1ccc(NC(=O)[C@H]2[NH2+]CCc3occc32)cc1[N+](=O)[O-] ZINC001356631756 1152096815 /nfs/dbraw/zinc/09/68/15/1152096815.db2.gz KZMPSQNXJZQEOJ-AWEZNQCLSA-N 1 2 301.302 2.322 20 5 DEBDLO CC(C)[NH+]1CC(Nc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001168312131 780829876 /nfs/dbraw/zinc/82/98/76/780829876.db2.gz WWRYWLXGLYCWPQ-UHFFFAOYSA-N 1 2 311.773 2.420 20 5 DEBDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975820 784993117 /nfs/dbraw/zinc/99/31/17/784993117.db2.gz XJJRPMVMFKNKGW-HRCADAONSA-N 1 2 320.389 2.196 20 5 DEBDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170298010 786892045 /nfs/dbraw/zinc/89/20/45/786892045.db2.gz YEAUERPAAPTEHM-BMIGLBTASA-N 1 2 322.361 2.076 20 5 DEBDLO COc1ccc(C[C@@H](C)[NH2+]Cc2noc(C)n2)c([N+](=O)[O-])c1 ZINC001170298609 786894733 /nfs/dbraw/zinc/89/47/33/786894733.db2.gz MZLCJSZLEIRHMX-SECBINFHSA-N 1 2 306.322 2.016 20 5 DEBDLO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH+]c1C ZINC001149404912 796850179 /nfs/dbraw/zinc/85/01/79/796850179.db2.gz RHZVJAGVDACCFO-UHFFFAOYSA-N 1 2 302.334 2.482 20 5 DEBDLO Cc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001197815331 798247549 /nfs/dbraw/zinc/24/75/49/798247549.db2.gz JTDPEYNDAPLLPA-NSHDSACASA-N 1 2 303.322 2.310 20 5 DEBDLO Cc1nc(Cl)c([N+](=O)[O-])c(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161319434 798827064 /nfs/dbraw/zinc/82/70/64/798827064.db2.gz RJSUHBBEXPWBSR-UHFFFAOYSA-N 1 2 320.740 2.042 20 5 DEBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])nc1 ZINC000934340142 800329980 /nfs/dbraw/zinc/32/99/80/800329980.db2.gz ASMKNZXFWLLTEU-AWEZNQCLSA-N 1 2 317.349 2.069 20 5 DEBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])nc1 ZINC000934340142 800329988 /nfs/dbraw/zinc/32/99/88/800329988.db2.gz ASMKNZXFWLLTEU-AWEZNQCLSA-N 1 2 317.349 2.069 20 5 DEBDLO C[NH+]1CCC2(CC[C@H](COc3cccc(O)c3[N+](=O)[O-])O2)CC1 ZINC001225624123 802992585 /nfs/dbraw/zinc/99/25/85/802992585.db2.gz UUFCXMUZRFOEOV-GFCCVEGCSA-N 1 2 322.361 2.323 20 5 DEBDLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N)cc([N+](=O)[O-])c1 ZINC001467528595 1059647801 /nfs/dbraw/zinc/64/78/01/1059647801.db2.gz AEGBQCLXJQFHLB-UHFFFAOYSA-N 1 2 301.306 2.202 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CCO1 ZINC001473893331 1060756917 /nfs/dbraw/zinc/75/69/17/1060756917.db2.gz NWLDDCMHPBCVDA-GHMZBOCLSA-N 1 2 304.350 2.470 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CCO1 ZINC001473893331 1060756930 /nfs/dbraw/zinc/75/69/30/1060756930.db2.gz NWLDDCMHPBCVDA-GHMZBOCLSA-N 1 2 304.350 2.470 20 5 DEBDLO Cc1cccn2cc(CCNc3cc[nH]c(=O)c3[N+](=O)[O-])[nH+]c12 ZINC001612064497 1078107223 /nfs/dbraw/zinc/10/72/23/1078107223.db2.gz UHGONQJKWOIQCQ-UHFFFAOYSA-N 1 2 313.317 2.306 20 5 DEBDLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)ccn12 ZINC001625751297 1078250356 /nfs/dbraw/zinc/25/03/56/1078250356.db2.gz YRZVWKJYPXXKGF-UHFFFAOYSA-N 1 2 311.301 2.385 20 5 DEBDLO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC001642956243 1078779187 /nfs/dbraw/zinc/77/91/87/1078779187.db2.gz JPRILILJOARZPR-IUODEOHRSA-N 1 2 324.377 2.292 20 5 DEBDLO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC001642956243 1078779192 /nfs/dbraw/zinc/77/91/92/1078779192.db2.gz JPRILILJOARZPR-IUODEOHRSA-N 1 2 324.377 2.292 20 5 DEBDLO Cc1[nH]c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]c1C ZINC001645370632 1078897218 /nfs/dbraw/zinc/89/72/18/1078897218.db2.gz MFXDOMPLOMHJFP-LLVKDONJSA-N 1 2 303.322 2.240 20 5 DEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1c(F)cccc1[N+](=O)[O-] ZINC001545663007 1072580042 /nfs/dbraw/zinc/58/00/42/1072580042.db2.gz HAMHENHWAQXKIV-UHFFFAOYSA-N 1 2 314.276 2.312 20 5 DEBDLO CCc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001556726853 1075041467 /nfs/dbraw/zinc/04/14/67/1075041467.db2.gz QOERTTSFTXKDPT-KBPBESRZSA-N 1 2 321.352 2.025 20 5 DEBDLO CCc1ccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001556726853 1075041469 /nfs/dbraw/zinc/04/14/69/1075041469.db2.gz QOERTTSFTXKDPT-KBPBESRZSA-N 1 2 321.352 2.025 20 5 DEBDLO O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC001583282373 1076253536 /nfs/dbraw/zinc/25/35/36/1076253536.db2.gz VZKQZPGOIOLMEE-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO Cc1[nH]c(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH+]c1C ZINC001587805408 1076427422 /nfs/dbraw/zinc/42/74/22/1076427422.db2.gz XQTISYIWWGTVLF-UHFFFAOYSA-N 1 2 313.317 2.346 20 5 DEBDLO CNc1ccc(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC001651651914 1079823141 /nfs/dbraw/zinc/82/31/41/1079823141.db2.gz FPSQWTOSRNVIRW-UHFFFAOYSA-N 1 2 316.317 2.491 20 5 DEBDLO Cc1c(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC001658051945 1080194777 /nfs/dbraw/zinc/19/47/77/1080194777.db2.gz KSZKGRAOMBTCEV-JTQLQIEISA-N 1 2 303.322 2.310 20 5 DEBDLO CCc1onc(C)c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001659773908 1080249998 /nfs/dbraw/zinc/24/99/98/1080249998.db2.gz RPHFQLKEHKTJLY-MRXNPFEDSA-N 1 2 319.361 2.451 20 5 DEBDLO O=C1COc2cc3[nH+]c(Cc4ccc([N+](=O)[O-])cc4)[nH]c3cc2N1 ZINC001250607344 1142246802 /nfs/dbraw/zinc/24/68/02/1142246802.db2.gz WLZATRXCPPGNBO-UHFFFAOYSA-N 1 2 324.296 2.393 20 5 DEBDLO CC(C)C(=O)N1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254571551 1143253718 /nfs/dbraw/zinc/25/37/18/1143253718.db2.gz XTQBULZIENFIRN-AWEZNQCLSA-N 1 2 319.405 2.326 20 5 DEBDLO COC(=O)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254571992 1143259057 /nfs/dbraw/zinc/25/90/57/1143259057.db2.gz FZEIRPMISUOOGK-GXTWGEPZSA-N 1 2 306.362 2.239 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](C)C1 ZINC000171700149 282181150 /nfs/dbraw/zinc/18/11/50/282181150.db2.gz BJFIOFMDYFPPKM-MNOVXSKESA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@H](C)C1 ZINC000171700149 282181152 /nfs/dbraw/zinc/18/11/52/282181152.db2.gz BJFIOFMDYFPPKM-MNOVXSKESA-N 1 2 309.391 2.359 20 5 DEBDLO O=C(N[C@@H]1CCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081024743 539381414 /nfs/dbraw/zinc/38/14/14/539381414.db2.gz HHAMOLXWTDXWCM-LLVKDONJSA-N 1 2 318.358 2.016 20 5 DEBDLO Cc1nn(CCC(=O)Nc2cc[nH+]cc2C)c(C)c1[N+](=O)[O-] ZINC000107288062 185474221 /nfs/dbraw/zinc/47/42/21/185474221.db2.gz NSDWIPNDWKNAIN-UHFFFAOYSA-N 1 2 303.322 2.140 20 5 DEBDLO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181939097 199365823 /nfs/dbraw/zinc/36/58/23/199365823.db2.gz ORUDHDNHVCYNLY-GFCCVEGCSA-N 1 2 321.377 2.151 20 5 DEBDLO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181939097 199365825 /nfs/dbraw/zinc/36/58/25/199365825.db2.gz ORUDHDNHVCYNLY-GFCCVEGCSA-N 1 2 321.377 2.151 20 5 DEBDLO Cc1c(CNC(=O)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000616489430 362872215 /nfs/dbraw/zinc/87/22/15/362872215.db2.gz UCUUPBWGGZLHSU-UHFFFAOYSA-N 1 2 302.334 2.196 20 5 DEBDLO CCC(=O)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000279987397 215293264 /nfs/dbraw/zinc/29/32/64/215293264.db2.gz GGMIGZDKLSDHDY-UHFFFAOYSA-N 1 2 321.377 2.322 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccnc1 ZINC000159743008 186139376 /nfs/dbraw/zinc/13/93/76/186139376.db2.gz GVZGPYZRZTXCRY-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccnc1 ZINC000159743008 186139377 /nfs/dbraw/zinc/13/93/77/186139377.db2.gz GVZGPYZRZTXCRY-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO Cc1noc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1[N+](=O)[O-] ZINC000595473881 358457972 /nfs/dbraw/zinc/45/79/72/358457972.db2.gz ZFPPICNEORXLQD-MRXNPFEDSA-N 1 2 317.345 2.205 20 5 DEBDLO CC1(C)COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000172409923 198093256 /nfs/dbraw/zinc/09/32/56/198093256.db2.gz KDRGDFTVSCHJLZ-UHFFFAOYSA-N 1 2 314.773 2.166 20 5 DEBDLO CC1(C)COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000172409923 198093257 /nfs/dbraw/zinc/09/32/57/198093257.db2.gz KDRGDFTVSCHJLZ-UHFFFAOYSA-N 1 2 314.773 2.166 20 5 DEBDLO COc1ccc(OCC[NH+]2[C@@H](C)COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173790539 198252086 /nfs/dbraw/zinc/25/20/86/198252086.db2.gz DWXCGWOPFBEWHL-RYUDHWBXSA-N 1 2 310.350 2.091 20 5 DEBDLO O=C(Nc1ccncc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033226078 354158678 /nfs/dbraw/zinc/15/86/78/354158678.db2.gz SNKSUWXHIVOMOJ-UHFFFAOYSA-N 1 2 309.285 2.428 20 5 DEBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)on1 ZINC000054389654 354461647 /nfs/dbraw/zinc/46/16/47/354461647.db2.gz RXIIUXHBWYEVRX-UHFFFAOYSA-N 1 2 308.363 2.275 20 5 DEBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000063256312 354641937 /nfs/dbraw/zinc/64/19/37/354641937.db2.gz WTYBYPOWBNMGBG-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO COC(=O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079500324 355313132 /nfs/dbraw/zinc/31/31/32/355313132.db2.gz SYNBUEGWZPKIRT-UHFFFAOYSA-N 1 2 308.334 2.001 20 5 DEBDLO COC(=O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079500324 355313136 /nfs/dbraw/zinc/31/31/36/355313136.db2.gz SYNBUEGWZPKIRT-UHFFFAOYSA-N 1 2 308.334 2.001 20 5 DEBDLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000255715977 356338182 /nfs/dbraw/zinc/33/81/82/356338182.db2.gz ZDOFIPPWNDRHSW-CHWSQXEVSA-N 1 2 321.377 2.423 20 5 DEBDLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000255715977 356338186 /nfs/dbraw/zinc/33/81/86/356338186.db2.gz ZDOFIPPWNDRHSW-CHWSQXEVSA-N 1 2 321.377 2.423 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1c[nH+]cn1C ZINC000290516504 356378578 /nfs/dbraw/zinc/37/85/78/356378578.db2.gz WMTIPIKTIASAMN-UHFFFAOYSA-N 1 2 303.322 2.267 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000590567806 357559210 /nfs/dbraw/zinc/55/92/10/357559210.db2.gz RHNGVWCSRCGUTQ-UHFFFAOYSA-N 1 2 324.138 2.038 20 5 DEBDLO C[C@@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000590761930 357605413 /nfs/dbraw/zinc/60/54/13/357605413.db2.gz VDSVHWWGHGGHLR-LLVKDONJSA-N 1 2 318.320 2.312 20 5 DEBDLO C[C@@H](O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000590761930 357605417 /nfs/dbraw/zinc/60/54/17/357605417.db2.gz VDSVHWWGHGGHLR-LLVKDONJSA-N 1 2 318.320 2.312 20 5 DEBDLO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1[nH+]ccn1C ZINC000596541753 358709426 /nfs/dbraw/zinc/70/94/26/358709426.db2.gz FPBKISYFQGFSTO-VIFPVBQESA-N 1 2 315.333 2.386 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cn(C)nn1 ZINC000597208643 358854624 /nfs/dbraw/zinc/85/46/24/358854624.db2.gz CESZRHVLRJCMOH-KPKJPENVSA-N 1 2 301.350 2.259 20 5 DEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cn(C)nn1 ZINC000597208643 358854626 /nfs/dbraw/zinc/85/46/26/358854626.db2.gz CESZRHVLRJCMOH-KPKJPENVSA-N 1 2 301.350 2.259 20 5 DEBDLO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000598647601 359274436 /nfs/dbraw/zinc/27/44/36/359274436.db2.gz PITHYXWUISBLLQ-NXEZZACHSA-N 1 2 300.305 2.323 20 5 DEBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000598647601 359274442 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O=C(NCc1[nH]cc[nH+]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444015426 238136963 /nfs/dbraw/zinc/13/69/63/238136963.db2.gz TZJMQPAPBVPGPL-UHFFFAOYSA-N 1 2 318.336 2.334 20 5 DEBDLO COc1cc(CCNc2cc[nH+]cc2F)c([N+](=O)[O-])cc1OC ZINC000603276113 360774104 /nfs/dbraw/zinc/77/41/04/360774104.db2.gz WMEZKMICBNRLJZ-UHFFFAOYSA-N 1 2 321.308 2.223 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000611261487 361565413 /nfs/dbraw/zinc/56/54/13/361565413.db2.gz KEEPVVQMTWSKMI-NSHDSACASA-N 1 2 302.334 2.403 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000611261487 361565419 /nfs/dbraw/zinc/56/54/19/361565419.db2.gz KEEPVVQMTWSKMI-NSHDSACASA-N 1 2 302.334 2.403 20 5 DEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000611349053 361584169 /nfs/dbraw/zinc/58/41/69/361584169.db2.gz SYFVYJXMUQWAMD-ZIAGYGMSSA-N 1 2 305.378 2.062 20 5 DEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517254 361619442 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O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000016210101 182037026 /nfs/dbraw/zinc/03/70/26/182037026.db2.gz GLDDPDXRQMPROQ-UHFFFAOYSA-N 1 2 322.280 2.039 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000456375379 247140545 /nfs/dbraw/zinc/14/05/45/247140545.db2.gz HBFKKAJVHULUQT-SNVBAGLBSA-N 1 2 318.333 2.311 20 5 DEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860733 249157683 /nfs/dbraw/zinc/15/76/83/249157683.db2.gz IONVIOKPNKHALE-WAYWQWQTSA-N 1 2 300.318 2.032 20 5 DEBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492279406 296320427 /nfs/dbraw/zinc/32/04/27/296320427.db2.gz ZLRJWNZQSMVHHP-LLVKDONJSA-N 1 2 323.780 2.445 20 5 DEBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492279406 296320429 /nfs/dbraw/zinc/32/04/29/296320429.db2.gz ZLRJWNZQSMVHHP-LLVKDONJSA-N 1 2 323.780 2.445 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCn2cc[nH+]c2C1 ZINC000332579306 291824203 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DEBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccn2cc[nH+]c2c1 ZINC000355313849 133016564 /nfs/dbraw/zinc/01/65/64/133016564.db2.gz OBERISPAWVZEEA-UHFFFAOYSA-N 1 2 312.285 2.260 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1C ZINC000361856519 133196196 /nfs/dbraw/zinc/19/61/96/133196196.db2.gz QMMMCFOUZFRTLI-UHFFFAOYSA-N 1 2 303.322 2.267 20 5 DEBDLO Cc1c[nH]c(C(C)(C)NC(=O)COc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000563281748 292043946 /nfs/dbraw/zinc/04/39/46/292043946.db2.gz CQNSPTHUPJNGMR-UHFFFAOYSA-N 1 2 318.333 2.057 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000188916596 145019435 /nfs/dbraw/zinc/01/94/35/145019435.db2.gz GCBGHBJZPHPWDE-OAHLLOKOSA-N 1 2 305.378 2.250 20 5 DEBDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000188916596 145019437 /nfs/dbraw/zinc/01/94/37/145019437.db2.gz GCBGHBJZPHPWDE-OAHLLOKOSA-N 1 2 305.378 2.250 20 5 DEBDLO CCC[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255632886 145204886 /nfs/dbraw/zinc/20/48/86/145204886.db2.gz VOTZDPLBQPLJMN-KKTNHOPESA-N 1 2 303.362 2.209 20 5 DEBDLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255632886 145204889 /nfs/dbraw/zinc/20/48/89/145204889.db2.gz VOTZDPLBQPLJMN-KKTNHOPESA-N 1 2 303.362 2.209 20 5 DEBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)(C(N)=O)c1ccccc1 ZINC000346847535 146152718 /nfs/dbraw/zinc/15/27/18/146152718.db2.gz CUSCNNCTXFUSIN-MRXNPFEDSA-N 1 2 317.320 2.224 20 5 DEBDLO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552056486 285939225 /nfs/dbraw/zinc/93/92/25/285939225.db2.gz FIVZEKVLBHUTSB-RRFJBIMHSA-N 1 2 316.361 2.185 20 5 DEBDLO CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111276328 401706389 /nfs/dbraw/zinc/70/63/89/401706389.db2.gz DAODHWVQGRWIOW-SWLSCSKDSA-N 1 2 321.377 2.057 20 5 DEBDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111276328 401706390 /nfs/dbraw/zinc/70/63/90/401706390.db2.gz DAODHWVQGRWIOW-SWLSCSKDSA-N 1 2 321.377 2.057 20 5 DEBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000113005038 401765524 /nfs/dbraw/zinc/76/55/24/401765524.db2.gz GKJBHAOCEDYMBK-LLVKDONJSA-N 1 2 314.407 2.158 20 5 DEBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000113005038 401765526 /nfs/dbraw/zinc/76/55/26/401765526.db2.gz GKJBHAOCEDYMBK-LLVKDONJSA-N 1 2 314.407 2.158 20 5 DEBDLO Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000119055349 401922700 /nfs/dbraw/zinc/92/27/00/401922700.db2.gz BYCRCWVSJAGMQW-UHFFFAOYSA-N 1 2 303.322 2.177 20 5 DEBDLO C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000089531112 401951534 /nfs/dbraw/zinc/95/15/34/401951534.db2.gz XYEPDUFXIUWSEL-UHFFFAOYSA-N 1 2 315.329 2.371 20 5 DEBDLO C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000089531112 401951535 /nfs/dbraw/zinc/95/15/35/401951535.db2.gz XYEPDUFXIUWSEL-UHFFFAOYSA-N 1 2 315.329 2.371 20 5 DEBDLO CC(C)C(=O)NCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119604514 401961284 /nfs/dbraw/zinc/96/12/84/401961284.db2.gz LQOFAXKMUFGUJT-UHFFFAOYSA-N 1 2 313.785 2.452 20 5 DEBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119604514 401961286 /nfs/dbraw/zinc/96/12/86/401961286.db2.gz LQOFAXKMUFGUJT-UHFFFAOYSA-N 1 2 313.785 2.452 20 5 DEBDLO O=C1NCCCN1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000135435343 401939518 /nfs/dbraw/zinc/93/95/18/401939518.db2.gz NRHMOPWMQBEZQQ-UHFFFAOYSA-N 1 2 324.406 2.036 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000103467848 402189660 /nfs/dbraw/zinc/18/96/60/402189660.db2.gz PMRMDLHJHXVQMM-NSHDSACASA-N 1 2 309.391 2.279 20 5 DEBDLO COc1cccc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000185085445 402323163 /nfs/dbraw/zinc/32/31/63/402323163.db2.gz MKXKEFPSKIXVMQ-UHFFFAOYSA-N 1 2 314.345 2.325 20 5 DEBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245718332 402482143 /nfs/dbraw/zinc/48/21/43/402482143.db2.gz HNDSYMLTTMFRDJ-RYUDHWBXSA-N 1 2 314.407 2.157 20 5 DEBDLO Cc1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245718332 402482144 /nfs/dbraw/zinc/48/21/44/402482144.db2.gz HNDSYMLTTMFRDJ-RYUDHWBXSA-N 1 2 314.407 2.157 20 5 DEBDLO Cc1c(C(=O)NCc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000178370848 402490982 /nfs/dbraw/zinc/49/09/82/402490982.db2.gz WAVACYGRCQUAJN-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO CC(=O)c1ccc(NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000170640526 402509626 /nfs/dbraw/zinc/50/96/26/402509626.db2.gz SDOZSSHHMVZLCT-UHFFFAOYSA-N 1 2 321.377 2.320 20 5 DEBDLO CC(=O)c1ccc(NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000170640526 402509628 /nfs/dbraw/zinc/50/96/28/402509628.db2.gz SDOZSSHHMVZLCT-UHFFFAOYSA-N 1 2 321.377 2.320 20 5 DEBDLO CCN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000191538695 402676919 /nfs/dbraw/zinc/67/69/19/402676919.db2.gz BPCCLLMOHRXVOC-VMPITWQZSA-N 1 2 303.362 2.162 20 5 DEBDLO CCN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000191538695 402676920 /nfs/dbraw/zinc/67/69/20/402676920.db2.gz BPCCLLMOHRXVOC-VMPITWQZSA-N 1 2 303.362 2.162 20 5 DEBDLO CNC(=O)[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255393059 402686797 /nfs/dbraw/zinc/68/67/97/402686797.db2.gz WDWJAWFXQDEURE-DDJMYBDESA-N 1 2 303.362 2.209 20 5 DEBDLO CNC(=O)[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255393059 402686799 /nfs/dbraw/zinc/68/67/99/402686799.db2.gz WDWJAWFXQDEURE-DDJMYBDESA-N 1 2 303.362 2.209 20 5 DEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191737646 402689305 /nfs/dbraw/zinc/68/93/05/402689305.db2.gz MRXNHSJHGFRBML-GFCCVEGCSA-N 1 2 321.377 2.137 20 5 DEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191737646 402689309 /nfs/dbraw/zinc/68/93/09/402689309.db2.gz MRXNHSJHGFRBML-GFCCVEGCSA-N 1 2 321.377 2.137 20 5 DEBDLO C[NH+](C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000174990329 402769464 /nfs/dbraw/zinc/76/94/64/402769464.db2.gz OLAYQQOXKMQKQF-UHFFFAOYSA-N 1 2 316.317 2.009 20 5 DEBDLO Cc1ccc([C@H](C)NC(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000175583644 402819541 /nfs/dbraw/zinc/81/95/41/402819541.db2.gz DYIDROXCPRDAHS-LBPRGKRZSA-N 1 2 317.349 2.160 20 5 DEBDLO COc1cc(C[N@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184225898 402828047 /nfs/dbraw/zinc/82/80/47/402828047.db2.gz FSDDQKBPVFHQAG-UHFFFAOYSA-N 1 2 308.313 2.108 20 5 DEBDLO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184225898 402828051 /nfs/dbraw/zinc/82/80/51/402828051.db2.gz FSDDQKBPVFHQAG-UHFFFAOYSA-N 1 2 308.313 2.108 20 5 DEBDLO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000278742147 402870221 /nfs/dbraw/zinc/87/02/21/402870221.db2.gz NJTRGDFHCHTKOG-YGRLFVJLSA-N 1 2 301.350 2.452 20 5 DEBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000264439094 402878262 /nfs/dbraw/zinc/87/82/62/402878262.db2.gz FIMQLDZRCZADDG-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272468772 402941058 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COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])cn2)c1C ZINC000273681091 403025220 /nfs/dbraw/zinc/02/52/20/403025220.db2.gz ZGRMSAIRIYHSMO-UHFFFAOYSA-N 1 2 303.322 2.042 20 5 DEBDLO CC1=CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273160875 402978271 /nfs/dbraw/zinc/97/82/71/402978271.db2.gz NONDEVHBPPQTPM-UHFFFAOYSA-N 1 2 310.375 2.021 20 5 DEBDLO CC1=CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273160875 402978272 /nfs/dbraw/zinc/97/82/72/402978272.db2.gz NONDEVHBPPQTPM-UHFFFAOYSA-N 1 2 310.375 2.021 20 5 DEBDLO CC(C)c1ccc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000275815705 403125731 /nfs/dbraw/zinc/12/57/31/403125731.db2.gz IVGTVNAJNJLMFB-UHFFFAOYSA-N 1 2 302.334 2.382 20 5 DEBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276290793 403161274 /nfs/dbraw/zinc/16/12/74/403161274.db2.gz HUPGSRZZPMNGNO-UHFFFAOYSA-N 1 2 323.368 2.424 20 5 DEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276290793 403161276 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Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000546899526 406387478 /nfs/dbraw/zinc/38/74/78/406387478.db2.gz XLCNDSSXZNJIHX-ZDUSSCGKSA-N 1 2 310.317 2.320 20 5 DEBDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490761066 406490901 /nfs/dbraw/zinc/49/09/01/406490901.db2.gz AKOULKITZNAOIQ-FPLPWBNLSA-N 1 2 300.318 2.000 20 5 DEBDLO Cc1cc(NCCCCN2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000571491863 406526074 /nfs/dbraw/zinc/52/60/74/406526074.db2.gz WXRHZCUSJUMNPW-UHFFFAOYSA-N 1 2 324.400 2.482 20 5 DEBDLO Cc1c[nH]c(C(C)(C)NC(=O)COc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000572371086 406655675 /nfs/dbraw/zinc/65/56/75/406655675.db2.gz MPJONGBIIFPKGB-UHFFFAOYSA-N 1 2 318.333 2.057 20 5 DEBDLO CC(C)(NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000572414958 406665198 /nfs/dbraw/zinc/66/51/98/406665198.db2.gz QPBHPYBXOBLOMW-UHFFFAOYSA-N 1 2 302.334 2.302 20 5 DEBDLO COc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000570283500 292474012 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CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179479786 278869629 /nfs/dbraw/zinc/86/96/29/278869629.db2.gz IRBQZILFWBTGGE-UHFFFAOYSA-N 1 2 321.377 2.151 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361511312 288208622 /nfs/dbraw/zinc/20/86/22/288208622.db2.gz QRVNRPKYTIAPNA-ABAIWWIYSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361511312 288208624 /nfs/dbraw/zinc/20/86/24/288208624.db2.gz QRVNRPKYTIAPNA-ABAIWWIYSA-N 1 2 310.325 2.114 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000378507505 281021353 /nfs/dbraw/zinc/02/13/53/281021353.db2.gz LMTXLDVWZSSYIC-HOCLYGCPSA-N 1 2 319.405 2.371 20 5 DEBDLO Cc1ncsc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295982973 293679247 /nfs/dbraw/zinc/67/92/47/293679247.db2.gz KGARZKXDIPUVSK-UHFFFAOYSA-N 1 2 319.390 2.077 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000067130879 500979414 /nfs/dbraw/zinc/97/94/14/500979414.db2.gz WGDWLCYONZJROQ-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO CC[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247415873 523268675 /nfs/dbraw/zinc/26/86/75/523268675.db2.gz DAODHWVQGRWIOW-DOMZBBRYSA-N 1 2 321.377 2.057 20 5 DEBDLO CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247415873 523268679 /nfs/dbraw/zinc/26/86/79/523268679.db2.gz DAODHWVQGRWIOW-DOMZBBRYSA-N 1 2 321.377 2.057 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](OCCO)C3)c2c1 ZINC000413138043 534884297 /nfs/dbraw/zinc/88/42/97/534884297.db2.gz ISSIDCXINVFGJQ-CQSZACIVSA-N 1 2 317.345 2.121 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(OCCO)CC3)c2c1 ZINC000413209011 534884487 /nfs/dbraw/zinc/88/44/87/534884487.db2.gz NJFZJZSHDTYXLG-UHFFFAOYSA-N 1 2 317.345 2.121 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368465979 526988033 /nfs/dbraw/zinc/98/80/33/526988033.db2.gz NYOJDDSULNALLV-LQJRIPTKSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368465979 526988036 /nfs/dbraw/zinc/98/80/36/526988036.db2.gz NYOJDDSULNALLV-LQJRIPTKSA-N 1 2 323.780 2.334 20 5 DEBDLO Cn1c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000338427921 527041969 /nfs/dbraw/zinc/04/19/69/527041969.db2.gz AMKMKRSIBIOIAH-JTQLQIEISA-N 1 2 303.322 2.024 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000492771860 536104482 /nfs/dbraw/zinc/10/44/82/536104482.db2.gz ZNFXVZRUYBMDAP-BQYQJAHWSA-N 1 2 314.345 2.183 20 5 DEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000360540735 536523780 /nfs/dbraw/zinc/52/37/80/536523780.db2.gz BSRZWPAUGPVEQB-OCCSQVGLSA-N 1 2 322.361 2.247 20 5 DEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000360540735 536523786 /nfs/dbraw/zinc/52/37/86/536523786.db2.gz BSRZWPAUGPVEQB-OCCSQVGLSA-N 1 2 322.361 2.247 20 5 DEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CCC1 ZINC001025645213 625726214 /nfs/dbraw/zinc/72/62/14/625726214.db2.gz PQJNJMAXYPWNHR-IMRBUKKESA-N 1 2 321.402 2.003 20 5 DEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CCC1 ZINC001025645213 625726219 /nfs/dbraw/zinc/72/62/19/625726219.db2.gz PQJNJMAXYPWNHR-IMRBUKKESA-N 1 2 321.402 2.003 20 5 DEBDLO CC(=O)N1CC2(C1)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981559595 635527552 /nfs/dbraw/zinc/52/75/52/635527552.db2.gz MYWAPYSEOHTUEU-UHFFFAOYSA-N 1 2 309.391 2.101 20 5 DEBDLO CC(=O)N1CC2(C1)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981559595 635527556 /nfs/dbraw/zinc/52/75/56/635527556.db2.gz MYWAPYSEOHTUEU-UHFFFAOYSA-N 1 2 309.391 2.101 20 5 DEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000895186919 637768362 /nfs/dbraw/zinc/76/83/62/637768362.db2.gz ZCVNVQMTLOTCHN-DTORHVGOSA-N 1 2 300.261 2.006 20 5 DEBDLO COc1c(O)ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000895186919 637768367 /nfs/dbraw/zinc/76/83/67/637768367.db2.gz ZCVNVQMTLOTCHN-DTORHVGOSA-N 1 2 300.261 2.006 20 5 DEBDLO Cn1cc(C[NH2+]Cc2ccon2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747621903 638455147 /nfs/dbraw/zinc/45/51/47/638455147.db2.gz FXTOCPKIEIWSOQ-UHFFFAOYSA-N 1 2 313.317 2.273 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839617369 639772517 /nfs/dbraw/zinc/77/25/17/639772517.db2.gz JKLOLQILVNXJAH-LDYMZIIASA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839617369 639772520 /nfs/dbraw/zinc/77/25/20/639772520.db2.gz JKLOLQILVNXJAH-LDYMZIIASA-N 1 2 315.167 2.312 20 5 DEBDLO CSCCC[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000799159058 640045134 /nfs/dbraw/zinc/04/51/34/640045134.db2.gz BMPHLOJSQAZSKG-UHFFFAOYSA-N 1 2 311.363 2.145 20 5 DEBDLO CSCCC[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000799159058 640045139 /nfs/dbraw/zinc/04/51/39/640045139.db2.gz BMPHLOJSQAZSKG-UHFFFAOYSA-N 1 2 311.363 2.145 20 5 DEBDLO CN(C)c1cc(COc2ccc(C=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC000762469561 640429984 /nfs/dbraw/zinc/42/99/84/640429984.db2.gz OTLLQCICRKSHKT-UHFFFAOYSA-N 1 2 301.302 2.447 20 5 DEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000763289062 640527411 /nfs/dbraw/zinc/52/74/11/640527411.db2.gz YCCCXYKBUOAADH-UHFFFAOYSA-N 1 2 318.333 2.227 20 5 DEBDLO COc1nn(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000898029550 641006236 /nfs/dbraw/zinc/00/62/36/641006236.db2.gz VWEKBPGDQUVTBU-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO Nc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000770734160 641414193 /nfs/dbraw/zinc/41/41/93/641414193.db2.gz RTCCBSZGIRSJCO-UHFFFAOYSA-N 1 2 312.285 2.182 20 5 DEBDLO Cc1c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898483474 641672888 /nfs/dbraw/zinc/67/28/88/641672888.db2.gz KMKORGADIPRGKG-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898483474 641672892 /nfs/dbraw/zinc/67/28/92/641672892.db2.gz KMKORGADIPRGKG-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccc([N+](=O)[O-])o3)no2)C[C@H](C)O1 ZINC000899258735 642011331 /nfs/dbraw/zinc/01/13/31/642011331.db2.gz SKBPENXXJPMAHE-AOOOYVTPSA-N 1 2 307.306 2.452 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2cc(-c3ccc([N+](=O)[O-])o3)no2)C[C@H](C)O1 ZINC000899258735 642011336 /nfs/dbraw/zinc/01/13/36/642011336.db2.gz SKBPENXXJPMAHE-AOOOYVTPSA-N 1 2 307.306 2.452 20 5 DEBDLO O=[N+]([O-])c1c(NCCCCn2cc[nH+]c2)nc2ccccn21 ZINC000775484026 642050991 /nfs/dbraw/zinc/05/09/91/642050991.db2.gz ZWXUUYVDWVOMKX-UHFFFAOYSA-N 1 2 300.322 2.331 20 5 DEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000776591613 642190347 /nfs/dbraw/zinc/19/03/47/642190347.db2.gz LEPPTEFVZUGOER-GDBMZVCRSA-N 1 2 318.329 2.295 20 5 DEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000776591613 642190349 /nfs/dbraw/zinc/19/03/49/642190349.db2.gz LEPPTEFVZUGOER-GDBMZVCRSA-N 1 2 318.329 2.295 20 5 DEBDLO C/C(=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000785283177 643217753 /nfs/dbraw/zinc/21/77/53/643217753.db2.gz IANMBKZOGMHKNM-SRXBQZRASA-N 1 2 314.345 2.400 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905732672 644025044 /nfs/dbraw/zinc/02/50/44/644025044.db2.gz AYEJYMLFPPIIGG-LLVKDONJSA-N 1 2 307.379 2.160 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905732672 644025047 /nfs/dbraw/zinc/02/50/47/644025047.db2.gz AYEJYMLFPPIIGG-LLVKDONJSA-N 1 2 307.379 2.160 20 5 DEBDLO CCc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000791980078 644056580 /nfs/dbraw/zinc/05/65/80/644056580.db2.gz VUGXPYZMLDWMJU-UHFFFAOYSA-N 1 2 301.302 2.491 20 5 DEBDLO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000796815345 644797487 /nfs/dbraw/zinc/79/74/87/644797487.db2.gz XXHDZDCYEPSKPX-CQSZACIVSA-N 1 2 302.334 2.364 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796943706 644815926 /nfs/dbraw/zinc/81/59/26/644815926.db2.gz UDTANCGXBIBPMD-UHFFFAOYSA-N 1 2 303.318 2.349 20 5 DEBDLO Nc1cc(COC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000808561793 646108757 /nfs/dbraw/zinc/10/87/57/646108757.db2.gz PVZFGTYAULVXBS-UHFFFAOYSA-N 1 2 323.255 2.136 20 5 DEBDLO Cn1c[nH+]cc1CCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923964236 646141522 /nfs/dbraw/zinc/14/15/22/646141522.db2.gz XMSATVZCFOJYCP-UHFFFAOYSA-N 1 2 321.308 2.186 20 5 DEBDLO O=C(CC[N@@H+]1Cc2ccncc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000809565554 646238691 /nfs/dbraw/zinc/23/86/91/646238691.db2.gz KTUULQZVKFOVSA-UHFFFAOYSA-N 1 2 312.329 2.334 20 5 DEBDLO O=C(CC[N@H+]1Cc2ccncc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000809565554 646238695 /nfs/dbraw/zinc/23/86/95/646238695.db2.gz KTUULQZVKFOVSA-UHFFFAOYSA-N 1 2 312.329 2.334 20 5 DEBDLO NC(=O)C1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809972780 646306141 /nfs/dbraw/zinc/30/61/41/646306141.db2.gz CMIDHBMTVRLQTI-UHFFFAOYSA-N 1 2 304.133 2.009 20 5 DEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000914566366 647392209 /nfs/dbraw/zinc/39/22/09/647392209.db2.gz ZFWVUZSGYKIOFM-UHFFFAOYSA-N 1 2 316.361 2.430 20 5 DEBDLO CO[C@H](C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174824973 647813657 /nfs/dbraw/zinc/81/36/57/647813657.db2.gz DYKUCZZNFVYLAN-LLVKDONJSA-N 1 2 319.317 2.362 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825513435 648773069 /nfs/dbraw/zinc/77/30/69/648773069.db2.gz TZFVJSFXMJFRGD-LLVKDONJSA-N 1 2 318.358 2.388 20 5 DEBDLO Cc1nn(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844745768 651164310 /nfs/dbraw/zinc/16/43/10/651164310.db2.gz GJSMFWXLKOSKNX-LBPRGKRZSA-N 1 2 300.309 2.487 20 5 DEBDLO Cc1nn(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844745768 651164311 /nfs/dbraw/zinc/16/43/11/651164311.db2.gz GJSMFWXLKOSKNX-LBPRGKRZSA-N 1 2 300.309 2.487 20 5 DEBDLO C/C(=C/C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000857979742 652228172 /nfs/dbraw/zinc/22/81/72/652228172.db2.gz DSHJQYCLNHCKRF-MSKHEQNASA-N 1 2 312.329 2.456 20 5 DEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982954 652228923 /nfs/dbraw/zinc/22/89/23/652228923.db2.gz UAIXOFGLERYMTM-SNVBAGLBSA-N 1 2 316.317 2.065 20 5 DEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990164 652232388 /nfs/dbraw/zinc/23/23/88/652232388.db2.gz SLQNIURHDBUMKA-GFCCVEGCSA-N 1 2 318.358 2.145 20 5 DEBDLO O=[N+]([O-])c1ccc(N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000853905975 652619962 /nfs/dbraw/zinc/61/99/62/652619962.db2.gz IEXKQSWHNBDDIQ-UHFFFAOYSA-N 1 2 305.378 2.143 20 5 DEBDLO Cn1c[nH+]cc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000870219779 688515749 /nfs/dbraw/zinc/51/57/49/688515749.db2.gz GZGDIHJWCHROAZ-UHFFFAOYSA-N 1 2 315.329 2.493 20 5 DEBDLO CC[C@H]1COCC[N@@H+]1CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000872773922 689089483 /nfs/dbraw/zinc/08/94/83/689089483.db2.gz ZUCVYCAWBPCZHK-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC[C@H]1COCC[N@H+]1CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000872773922 689089484 /nfs/dbraw/zinc/08/94/84/689089484.db2.gz ZUCVYCAWBPCZHK-LBPRGKRZSA-N 1 2 309.366 2.126 20 5 DEBDLO CC1(C)C[C@H](O)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879621203 690690082 /nfs/dbraw/zinc/69/00/82/690690082.db2.gz BDFUDZMHWLYOLL-NSHDSACASA-N 1 2 304.350 2.064 20 5 DEBDLO CC1(C)C[C@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879621203 690690085 /nfs/dbraw/zinc/69/00/85/690690085.db2.gz BDFUDZMHWLYOLL-NSHDSACASA-N 1 2 304.350 2.064 20 5 DEBDLO CC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000882507397 691300073 /nfs/dbraw/zinc/30/00/73/691300073.db2.gz JDMAPWNSSDXGRF-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000886029723 691987516 /nfs/dbraw/zinc/98/75/16/691987516.db2.gz ACBWXWWGUCDPHF-LSDHHAIUSA-N 1 2 320.393 2.211 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000886029723 691987517 /nfs/dbraw/zinc/98/75/17/691987517.db2.gz ACBWXWWGUCDPHF-LSDHHAIUSA-N 1 2 320.393 2.211 20 5 DEBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886203312 692023469 /nfs/dbraw/zinc/02/34/69/692023469.db2.gz RZDHSKVEZOSMBH-ZDUSSCGKSA-N 1 2 322.365 2.043 20 5 DEBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886203312 692023471 /nfs/dbraw/zinc/02/34/71/692023471.db2.gz RZDHSKVEZOSMBH-ZDUSSCGKSA-N 1 2 322.365 2.043 20 5 DEBDLO Cn1ccc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000932141223 694559293 /nfs/dbraw/zinc/55/92/93/694559293.db2.gz IBWBPYYJQGKRAR-UHFFFAOYSA-N 1 2 316.361 2.414 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932344242 694597429 /nfs/dbraw/zinc/59/74/29/694597429.db2.gz REPTVTBWDZOGLO-NWDGAFQWSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932344242 694597431 /nfs/dbraw/zinc/59/74/31/694597431.db2.gz REPTVTBWDZOGLO-NWDGAFQWSA-N 1 2 307.350 2.033 20 5 DEBDLO CC(C)(CCC(=O)OCCc1cn2c([nH+]1)CCCC2)[N+](=O)[O-] ZINC001343656426 1150760632 /nfs/dbraw/zinc/76/06/32/1150760632.db2.gz FYLYYYSUDAEHAC-UHFFFAOYSA-N 1 2 309.366 2.141 20 5 DEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCOCC23CC3)c([N+](=O)[O-])c1 ZINC001170353500 786917495 /nfs/dbraw/zinc/91/74/95/786917495.db2.gz YSCDTJZQAZRSCI-GFCCVEGCSA-N 1 2 306.362 2.399 20 5 DEBDLO COc1ccc(C[C@@H](C)[N@H+]2CCOCC23CC3)c([N+](=O)[O-])c1 ZINC001170353500 786917501 /nfs/dbraw/zinc/91/75/01/786917501.db2.gz YSCDTJZQAZRSCI-GFCCVEGCSA-N 1 2 306.362 2.399 20 5 DEBDLO COC(=O)[C@H](C)[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345198 786930544 /nfs/dbraw/zinc/93/05/44/786930544.db2.gz HWFMVBVSEIJEDL-MNOVXSKESA-N 1 2 310.350 2.028 20 5 DEBDLO COC(=O)[C@H](C)[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345198 786930550 /nfs/dbraw/zinc/93/05/50/786930550.db2.gz HWFMVBVSEIJEDL-MNOVXSKESA-N 1 2 310.350 2.028 20 5 DEBDLO Nc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)o1 ZINC001171684180 793187257 /nfs/dbraw/zinc/18/72/57/793187257.db2.gz IQCBSLYHXGFJPH-UHFFFAOYSA-N 1 2 321.312 2.079 20 5 DEBDLO CCc1nnc2n1CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173234042 793645969 /nfs/dbraw/zinc/64/59/69/793645969.db2.gz OXDZFXSDYXZKMH-LBPRGKRZSA-N 1 2 315.377 2.196 20 5 DEBDLO CCc1nnc2n1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173234042 793645975 /nfs/dbraw/zinc/64/59/75/793645975.db2.gz OXDZFXSDYXZKMH-LBPRGKRZSA-N 1 2 315.377 2.196 20 5 DEBDLO CN(C)c1[nH+]cc(Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc21 ZINC001188062555 796621117 /nfs/dbraw/zinc/62/11/17/796621117.db2.gz LPECEJQQDSWPAE-UHFFFAOYSA-N 1 2 324.340 2.419 20 5 DEBDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001155194567 797705629 /nfs/dbraw/zinc/70/56/29/797705629.db2.gz UUELWMMHANSQOZ-SSDOTTSWSA-N 1 2 321.164 2.039 20 5 DEBDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001155194567 797705632 /nfs/dbraw/zinc/70/56/32/797705632.db2.gz UUELWMMHANSQOZ-SSDOTTSWSA-N 1 2 321.164 2.039 20 5 DEBDLO O=[N+]([O-])c1cccc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)n1 ZINC001158625791 798440619 /nfs/dbraw/zinc/44/06/19/798440619.db2.gz UBUCTXXUDOUYIZ-LLVKDONJSA-N 1 2 312.320 2.300 20 5 DEBDLO COC(=O)[C@@H]1C[C@H](Nc2ncnc3cc4ccccc4cc32)C[NH2+]1 ZINC001164306926 799566774 /nfs/dbraw/zinc/56/67/74/799566774.db2.gz QJXBOVVCTRVAAK-BBRMVZONSA-N 1 2 322.368 2.098 20 5 DEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CC(O)C1 ZINC001351301635 1151513864 /nfs/dbraw/zinc/51/38/64/1151513864.db2.gz MSIUXRRCMYMLAN-UHFFFAOYSA-N 1 2 315.167 2.312 20 5 DEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CC(O)C1 ZINC001351301635 1151513866 /nfs/dbraw/zinc/51/38/66/1151513866.db2.gz MSIUXRRCMYMLAN-UHFFFAOYSA-N 1 2 315.167 2.312 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454149859 1057447455 /nfs/dbraw/zinc/44/74/55/1057447455.db2.gz SIQBZNXBCASQGE-JTQLQIEISA-N 1 2 306.709 2.320 20 5 DEBDLO Cc1c[nH]c(Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])[nH+]1 ZINC001472725619 1060573769 /nfs/dbraw/zinc/57/37/69/1060573769.db2.gz JRLNTFNTTZECPX-UHFFFAOYSA-N 1 2 314.261 2.248 20 5 DEBDLO Cc1cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001477211355 1061155430 /nfs/dbraw/zinc/15/54/30/1061155430.db2.gz HOJIPSHBSPGPTC-LLVKDONJSA-N 1 2 303.322 2.310 20 5 DEBDLO O=[N+]([O-])c1ccc2nc(N3CCc4[nH+]c[nH]c4C3)sc2c1 ZINC001612450355 1078110518 /nfs/dbraw/zinc/11/05/18/1078110518.db2.gz FDILYCIHFPOPCN-UHFFFAOYSA-N 1 2 301.331 2.490 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(CC2)CC1=O ZINC001327355442 1148534036 /nfs/dbraw/zinc/53/40/36/1148534036.db2.gz VZWJWHPNUKPHDT-UHFFFAOYSA-N 1 2 303.362 2.039 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(CC2)CC1=O ZINC001327355442 1148534053 /nfs/dbraw/zinc/53/40/53/1148534053.db2.gz VZWJWHPNUKPHDT-UHFFFAOYSA-N 1 2 303.362 2.039 20 5 DEBDLO O=C(Nc1ccsn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001597912878 1077104615 /nfs/dbraw/zinc/10/46/15/1077104615.db2.gz XUSMADGKUZCMMC-UHFFFAOYSA-N 1 2 315.314 2.489 20 5 DEBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3N)ccc2[nH+]1 ZINC001598450236 1077111779 /nfs/dbraw/zinc/11/17/79/1077111779.db2.gz BUIGYWQCBAEDES-UHFFFAOYSA-N 1 2 311.301 2.385 20 5 DEBDLO Cc1ncc([N+](=O)[O-])n1CCSCc1cc[nH+]c(N(C)C)c1 ZINC001352073187 1151673121 /nfs/dbraw/zinc/67/31/21/1151673121.db2.gz ZQCUTTYPWRGNJR-UHFFFAOYSA-N 1 2 321.406 2.494 20 5 DEBDLO COc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])cc1F ZINC001294520534 1139206326 /nfs/dbraw/zinc/20/63/26/1139206326.db2.gz SZPFYMXHITVMHF-UHFFFAOYSA-N 1 2 322.296 2.012 20 5 DEBDLO CCc1nnc2n1CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254566701 1143251372 /nfs/dbraw/zinc/25/13/72/1143251372.db2.gz UDRPCYQYCGRKCY-GFCCVEGCSA-N 1 2 315.377 2.196 20 5 DEBDLO CCc1nnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254566701 1143251390 /nfs/dbraw/zinc/25/13/90/1143251390.db2.gz UDRPCYQYCGRKCY-GFCCVEGCSA-N 1 2 315.377 2.196 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604846 1143280320 /nfs/dbraw/zinc/28/03/20/1143280320.db2.gz XTCVKDMORWXRGV-HZPDHXFCSA-N 1 2 318.373 2.480 20 5 DEBDLO CCOC(=O)[C@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604846 1143280339 /nfs/dbraw/zinc/28/03/39/1143280339.db2.gz XTCVKDMORWXRGV-HZPDHXFCSA-N 1 2 318.373 2.480 20 5 DEBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc(C)[nH+]1 ZINC001299550911 1144060317 /nfs/dbraw/zinc/06/03/17/1144060317.db2.gz QHTRNUGWHNUYDQ-UHFFFAOYSA-N 1 2 318.308 2.258 20 5 DEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083176705 185215852 /nfs/dbraw/zinc/21/58/52/185215852.db2.gz CDZIKMNIKOJGOY-UHFFFAOYSA-N 1 2 315.333 2.492 20 5 DEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083176705 185215853 /nfs/dbraw/zinc/21/58/53/185215853.db2.gz CDZIKMNIKOJGOY-UHFFFAOYSA-N 1 2 315.333 2.492 20 5 DEBDLO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000087385624 185223435 /nfs/dbraw/zinc/22/34/35/185223435.db2.gz JIXRJSROGRNHEX-CYBMUJFWSA-N 1 2 316.361 2.176 20 5 DEBDLO C[C@@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000190311597 282317697 /nfs/dbraw/zinc/31/76/97/282317697.db2.gz ONUYXMBKILQWQK-NXEZZACHSA-N 1 2 314.411 2.351 20 5 DEBDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000331019121 232351719 /nfs/dbraw/zinc/35/17/19/232351719.db2.gz ZZIYKATYGWUMQD-INIZCTEOSA-N 1 2 321.377 2.343 20 5 DEBDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000331019121 232351722 /nfs/dbraw/zinc/35/17/22/232351722.db2.gz ZZIYKATYGWUMQD-INIZCTEOSA-N 1 2 321.377 2.343 20 5 DEBDLO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000255317324 282628856 /nfs/dbraw/zinc/62/88/56/282628856.db2.gz MFZNEDXFZGUGBX-SZZPACECSA-N 1 2 314.345 2.257 20 5 DEBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCC3)cc1[N+](=O)[O-] ZINC000268758380 186381607 /nfs/dbraw/zinc/38/16/07/186381607.db2.gz KJXQRDIVUYGINR-NSHDSACASA-N 1 2 301.350 2.292 20 5 DEBDLO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000595485842 358462120 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O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000060564947 354618030 /nfs/dbraw/zinc/61/80/30/354618030.db2.gz AYYFFALVCXTVJW-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO O=C(N[C@@H]1CCC[C@H]1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340796350 283036175 /nfs/dbraw/zinc/03/61/75/283036175.db2.gz LAMKBNIXQIFKSJ-VXGBXAGGSA-N 1 2 318.308 2.401 20 5 DEBDLO CCn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000072982067 354934848 /nfs/dbraw/zinc/93/48/48/354934848.db2.gz YDQIYOMJGWMQPO-UHFFFAOYSA-N 1 2 304.350 2.452 20 5 DEBDLO CCn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000072982067 354934851 /nfs/dbraw/zinc/93/48/51/354934851.db2.gz YDQIYOMJGWMQPO-UHFFFAOYSA-N 1 2 304.350 2.452 20 5 DEBDLO Cc1cc(N(C)CC[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000080611199 355374524 /nfs/dbraw/zinc/37/45/24/355374524.db2.gz BXTAMPLSTZETCM-UHFFFAOYSA-N 1 2 313.785 2.325 20 5 DEBDLO CC[C@H]([NH2+]Cc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090172689 355560035 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DEBDLO Nc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000120335609 401986764 /nfs/dbraw/zinc/98/67/64/401986764.db2.gz DCJYMSODVVEZFN-GFCCVEGCSA-N 1 2 315.333 2.268 20 5 DEBDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135608631 401947339 /nfs/dbraw/zinc/94/73/39/401947339.db2.gz KQABXHCNWWMMEJ-BLLLJJGKSA-N 1 2 321.377 2.423 20 5 DEBDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135608631 401947342 /nfs/dbraw/zinc/94/73/42/401947342.db2.gz KQABXHCNWWMMEJ-BLLLJJGKSA-N 1 2 321.377 2.423 20 5 DEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000124590740 402187280 /nfs/dbraw/zinc/18/72/80/402187280.db2.gz XROUNXRNOKNVFW-UHFFFAOYSA-N 1 2 316.321 2.055 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(F)F ZINC000103488380 402191330 /nfs/dbraw/zinc/19/13/30/402191330.db2.gz FPXSOYUGJSDMNL-UHFFFAOYSA-N 1 2 301.293 2.429 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(F)F ZINC000103488380 402191331 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ZINC000448859489 405456987 /nfs/dbraw/zinc/45/69/87/405456987.db2.gz MFPGFMYRDCNQFM-NSHDSACASA-N 1 2 300.318 2.263 20 5 DEBDLO CCCc1n[nH]c(C(=O)NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000456844655 405588830 /nfs/dbraw/zinc/58/88/30/405588830.db2.gz RKGWVCJPEFHVJQ-UHFFFAOYSA-N 1 2 317.349 2.212 20 5 DEBDLO CCCCn1nnnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739739 405698901 /nfs/dbraw/zinc/69/89/01/405698901.db2.gz NZQBYAHIMUFPTG-UHFFFAOYSA-N 1 2 318.381 2.056 20 5 DEBDLO CCCCn1nnnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739739 405698914 /nfs/dbraw/zinc/69/89/14/405698914.db2.gz NZQBYAHIMUFPTG-UHFFFAOYSA-N 1 2 318.381 2.056 20 5 DEBDLO COc1cc(C[NH2+]Cc2cnc(C3CC3)o2)c([N+](=O)[O-])cc1O ZINC000449698139 405698133 /nfs/dbraw/zinc/69/81/33/405698133.db2.gz MYFHLHFMSBVHRI-UHFFFAOYSA-N 1 2 319.317 2.464 20 5 DEBDLO COC1(C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459571923 405961905 /nfs/dbraw/zinc/96/19/05/405961905.db2.gz DHXUMHNXMHTHJL-UHFFFAOYSA-N 1 2 316.361 2.216 20 5 DEBDLO COc1cccc(C(=O)Nc2cc(C)[nH+]cc2C)c1[N+](=O)[O-] ZINC000562437598 406010049 /nfs/dbraw/zinc/01/00/49/406010049.db2.gz DNCVFMSKAWINMM-UHFFFAOYSA-N 1 2 301.302 2.289 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000534976259 406198939 /nfs/dbraw/zinc/19/89/39/406198939.db2.gz OHDUOLWERIWTDC-UHFFFAOYSA-N 1 2 324.344 2.193 20 5 DEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000523434611 406425125 /nfs/dbraw/zinc/42/51/25/406425125.db2.gz JLBXGYPNOYPJCV-NSHDSACASA-N 1 2 303.322 2.024 20 5 DEBDLO Cc1nnsc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000571008915 292519907 /nfs/dbraw/zinc/51/99/07/292519907.db2.gz HXSJVVWRBWXJIL-UHFFFAOYSA-N 1 2 319.390 2.077 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000295877093 225339074 /nfs/dbraw/zinc/33/90/74/225339074.db2.gz FQEAVKKUNJTVMX-ZACQAIPSSA-N 1 2 318.373 2.272 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000295877093 225339080 /nfs/dbraw/zinc/33/90/80/225339080.db2.gz FQEAVKKUNJTVMX-ZACQAIPSSA-N 1 2 318.373 2.272 20 5 DEBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000302139741 230117140 /nfs/dbraw/zinc/11/71/40/230117140.db2.gz DGALWRSZBCVKSL-UHFFFAOYSA-N 1 2 314.280 2.322 20 5 DEBDLO O=[N+]([O-])c1cccc(CNc2ccc(-c3cncnc3)c[nH+]2)c1 ZINC000369151836 424874817 /nfs/dbraw/zinc/87/48/17/424874817.db2.gz HZOHNDZODFIQBL-UHFFFAOYSA-N 1 2 307.313 3.059 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCO[C@@H]3CCOC3)c2c1 ZINC000413188194 424941284 /nfs/dbraw/zinc/94/12/84/424941284.db2.gz UCXCWTXVBNQLGT-CQSZACIVSA-N 1 2 317.345 2.751 20 5 DEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596356762 425024147 /nfs/dbraw/zinc/02/41/47/425024147.db2.gz JZTZNCUMKRWHRT-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DEBDLO Cc1cc(NCc2ccc[nH+]c2N2CCCC2)ncc1[N+](=O)[O-] ZINC000596357967 425024557 /nfs/dbraw/zinc/02/45/57/425024557.db2.gz VAFSBXHRCINACS-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DEBDLO CC(C)c1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc[nH+]1 ZINC000443960675 425046388 /nfs/dbraw/zinc/04/63/88/425046388.db2.gz KCMDGSGKEWJRFI-UHFFFAOYSA-N 1 2 312.333 2.997 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccnc1 ZINC000156059520 278157568 /nfs/dbraw/zinc/15/75/68/278157568.db2.gz HOZQUOUERAVHJL-GFCCVEGCSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC000156059520 278157570 /nfs/dbraw/zinc/15/75/70/278157570.db2.gz HOZQUOUERAVHJL-GFCCVEGCSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000278742102 278282358 /nfs/dbraw/zinc/28/23/58/278282358.db2.gz NJTRGDFHCHTKOG-HZMBPMFUSA-N 1 2 301.350 2.452 20 5 DEBDLO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280737627 278341229 /nfs/dbraw/zinc/34/12/29/278341229.db2.gz JFIYWJPTSHOMKG-UHFFFAOYSA-N 1 2 321.377 2.293 20 5 DEBDLO Cc1cccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000275405863 278922819 /nfs/dbraw/zinc/92/28/19/278922819.db2.gz FNHXKPUQUFPUAX-UHFFFAOYSA-N 1 2 313.361 2.328 20 5 DEBDLO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000267180225 280353539 /nfs/dbraw/zinc/35/35/39/280353539.db2.gz FGLVOLOBUYMMQA-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000583636260 336009661 /nfs/dbraw/zinc/00/96/61/336009661.db2.gz PDTSBXBRACNPLO-UHFFFAOYSA-N 1 2 302.334 2.220 20 5 DEBDLO Cc1c(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000429201485 533911220 /nfs/dbraw/zinc/91/12/20/533911220.db2.gz GGORTWJZVDNVCC-LLVKDONJSA-N 1 2 315.333 2.236 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299657287 534720173 /nfs/dbraw/zinc/72/01/73/534720173.db2.gz MJLUKTWMRJQJKF-UHFFFAOYSA-N 1 2 306.347 2.399 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](O)COCC3CC3)c2c1 ZINC000413113953 534885099 /nfs/dbraw/zinc/88/50/99/534885099.db2.gz ZHFNVFHPBZPLQH-AWEZNQCLSA-N 1 2 317.345 2.342 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000338256687 525855574 /nfs/dbraw/zinc/85/55/74/525855574.db2.gz XMCSWJSXSAHOLY-YPMHNXCESA-N 1 2 321.377 2.199 20 5 DEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000338256687 525855582 /nfs/dbraw/zinc/85/55/82/525855582.db2.gz XMCSWJSXSAHOLY-YPMHNXCESA-N 1 2 321.377 2.199 20 5 DEBDLO CCOC(=O)[C@@H](F)C1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000293791440 527795113 /nfs/dbraw/zinc/79/51/13/527795113.db2.gz CNSIHCAPPNHTDB-ZKKXHLJNSA-N 1 2 322.336 2.441 20 5 DEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000450831366 536117979 /nfs/dbraw/zinc/11/79/79/536117979.db2.gz PIPYPLHPLUFLKG-SECBINFHSA-N 1 2 319.321 2.166 20 5 DEBDLO COc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456375808 536765003 /nfs/dbraw/zinc/76/50/03/536765003.db2.gz KDOWQATZUJRJAB-MWLCHTKSSA-N 1 2 316.317 2.236 20 5 DEBDLO CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000835447617 649922492 /nfs/dbraw/zinc/92/24/92/649922492.db2.gz ZUMNNVDQJSVQOP-TXEJJXNPSA-N 1 2 317.301 2.115 20 5 DEBDLO C[C@H](C(=O)OCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1F ZINC000755701645 633503745 /nfs/dbraw/zinc/50/37/45/633503745.db2.gz ABFXLXGAIQARIE-VIFPVBQESA-N 1 2 307.281 2.314 20 5 DEBDLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)c(N)c([N+](=O)[O-])c1 ZINC000837104556 650165004 /nfs/dbraw/zinc/16/50/04/650165004.db2.gz GBZACOPXJOBAQO-UHFFFAOYSA-N 1 2 314.345 2.427 20 5 DEBDLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000895670199 638143147 /nfs/dbraw/zinc/14/31/47/638143147.db2.gz MSZWWGHSNGDJCQ-UHFFFAOYSA-N 1 2 316.361 2.493 20 5 DEBDLO Cc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC000753023872 639249693 /nfs/dbraw/zinc/24/96/93/639249693.db2.gz ZRALJHVMOBLCNM-UHFFFAOYSA-N 1 2 315.333 2.199 20 5 DEBDLO C[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCC1 ZINC000755255590 639534681 /nfs/dbraw/zinc/53/46/81/639534681.db2.gz IREWYLITJZXTDK-UHFFFAOYSA-N 1 2 318.333 2.243 20 5 DEBDLO C[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCC1 ZINC000755255590 639534684 /nfs/dbraw/zinc/53/46/84/639534684.db2.gz IREWYLITJZXTDK-UHFFFAOYSA-N 1 2 318.333 2.243 20 5 DEBDLO C[C@@H]1C[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](C)[C@H]1C ZINC000841693008 650542835 /nfs/dbraw/zinc/54/28/35/650542835.db2.gz SZORGEJKHRKRJS-VWYCJHECSA-N 1 2 317.345 2.125 20 5 DEBDLO C[C@@H]1C[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](C)[C@H]1C ZINC000841693008 650542837 /nfs/dbraw/zinc/54/28/37/650542837.db2.gz SZORGEJKHRKRJS-VWYCJHECSA-N 1 2 317.345 2.125 20 5 DEBDLO O=[N+]([O-])c1cc(-c2nc(-c3ncc[nH]3)no2)ccc1-n1cc[nH+]c1 ZINC000762121713 640392006 /nfs/dbraw/zinc/39/20/06/640392006.db2.gz PWIQDANEMRICGA-UHFFFAOYSA-N 1 2 323.272 2.221 20 5 DEBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccon3)no2)ccc1-n1cc[nH+]c1 ZINC000762330704 640416862 /nfs/dbraw/zinc/41/68/62/640416862.db2.gz AFLLXEFBNIMUOQ-UHFFFAOYSA-N 1 2 324.256 2.486 20 5 DEBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000763876576 640580757 /nfs/dbraw/zinc/58/07/57/640580757.db2.gz UZKNDWUYQJFARY-ZDUSSCGKSA-N 1 2 316.785 2.466 20 5 DEBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000763876576 640580760 /nfs/dbraw/zinc/58/07/60/640580760.db2.gz UZKNDWUYQJFARY-ZDUSSCGKSA-N 1 2 316.785 2.466 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC(n2cc[nH+]c2)C1 ZINC000768713212 641116412 /nfs/dbraw/zinc/11/64/12/641116412.db2.gz VKOBALFHHSQRMD-UHFFFAOYSA-N 1 2 306.709 2.142 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000775932888 642114620 /nfs/dbraw/zinc/11/46/20/642114620.db2.gz IDPUPJFNFHOPJL-UHFFFAOYSA-N 1 2 316.332 2.480 20 5 DEBDLO C/C(=C\C(=O)Nc1cccc([N+](=O)[O-])c1C)C[NH+]1CCOCC1 ZINC000899936265 642216279 /nfs/dbraw/zinc/21/62/79/642216279.db2.gz RNQOXLAHFCDJFS-ZRDIBKRKSA-N 1 2 319.361 2.120 20 5 DEBDLO CC(C)(C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000805616028 642428226 /nfs/dbraw/zinc/42/82/26/642428226.db2.gz OSXPRFVOHBGVMG-UHFFFAOYSA-N 1 2 320.345 2.195 20 5 DEBDLO O=C(Cc1c[nH+]c[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000901161956 642585913 /nfs/dbraw/zinc/58/59/13/642585913.db2.gz XRMSBECPJQEQBQ-UHFFFAOYSA-N 1 2 300.318 2.052 20 5 DEBDLO CCNc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000782008129 642811603 /nfs/dbraw/zinc/81/16/03/642811603.db2.gz NHHGEIIJPCZCLQ-UHFFFAOYSA-N 1 2 318.333 2.470 20 5 DEBDLO O=C(OCCCn1cc[nH+]c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000783345988 642996560 /nfs/dbraw/zinc/99/65/60/642996560.db2.gz XMDIARQRZVMAFE-UHFFFAOYSA-N 1 2 311.244 2.317 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000787328967 643482358 /nfs/dbraw/zinc/48/23/58/643482358.db2.gz ADZAKFXFYJNICF-IUPBHXKESA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000787328967 643482363 /nfs/dbraw/zinc/48/23/63/643482363.db2.gz ADZAKFXFYJNICF-IUPBHXKESA-N 1 2 323.780 2.334 20 5 DEBDLO Nc1cc(COC(=O)CCOc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000791747364 644024264 /nfs/dbraw/zinc/02/42/64/644024264.db2.gz DARKZUPSWLREII-UHFFFAOYSA-N 1 2 317.301 2.084 20 5 DEBDLO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc[nH+]1 ZINC000792085356 644071986 /nfs/dbraw/zinc/07/19/86/644071986.db2.gz MREDQRRVEALLEF-UHFFFAOYSA-N 1 2 324.296 2.477 20 5 DEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000807980464 646015245 /nfs/dbraw/zinc/01/52/45/646015245.db2.gz QCMFNEMRLACFFM-UHFFFAOYSA-N 1 2 315.264 2.216 20 5 DEBDLO CC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174836661 647971621 /nfs/dbraw/zinc/97/16/21/647971621.db2.gz WYGGHVQEDQPSJG-UHFFFAOYSA-N 1 2 311.769 2.349 20 5 DEBDLO Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000825640324 648792136 /nfs/dbraw/zinc/79/21/36/648792136.db2.gz CUCNHGNSBVYVQV-GFCCVEGCSA-N 1 2 302.334 2.367 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c2c(c1)COCO2 ZINC000844456002 651131486 /nfs/dbraw/zinc/13/14/86/651131486.db2.gz XDKICNBQFCIYIK-TXEJJXNPSA-N 1 2 312.272 2.158 20 5 DEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c2c(c1)COCO2 ZINC000844456002 651131488 /nfs/dbraw/zinc/13/14/88/651131488.db2.gz XDKICNBQFCIYIK-TXEJJXNPSA-N 1 2 312.272 2.158 20 5 DEBDLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1ccc([N+](=O)[O-])cc1 ZINC000845447484 651244122 /nfs/dbraw/zinc/24/41/22/651244122.db2.gz CLLOCAFPMBBGRS-UHFFFAOYSA-N 1 2 315.329 2.414 20 5 DEBDLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1F ZINC000857981830 652229023 /nfs/dbraw/zinc/22/90/23/652229023.db2.gz JNRWIKBSYHLYTQ-ZANVPECISA-N 1 2 318.308 2.295 20 5 DEBDLO O=C1OCCN1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000852723535 652444426 /nfs/dbraw/zinc/44/44/26/652444426.db2.gz VPZVVQDKAPFOMM-UHFFFAOYSA-N 1 2 323.324 2.151 20 5 DEBDLO COc1c(C)c[nH+]c(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1C ZINC000853243390 652528662 /nfs/dbraw/zinc/52/86/62/652528662.db2.gz FYHPCROTWJQJSC-UHFFFAOYSA-N 1 2 304.306 2.328 20 5 DEBDLO C[C@]1(C2CC2)C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000853528945 652563103 /nfs/dbraw/zinc/56/31/03/652563103.db2.gz YLEOXOVDRWDVJW-MRXNPFEDSA-N 1 2 316.361 2.403 20 5 DEBDLO C[C@]1(C2CC2)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000853528945 652563104 /nfs/dbraw/zinc/56/31/04/652563104.db2.gz YLEOXOVDRWDVJW-MRXNPFEDSA-N 1 2 316.361 2.403 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000038103200 683886183 /nfs/dbraw/zinc/88/61/83/683886183.db2.gz QPVPWOXNXSVTCU-VIFPVBQESA-N 1 2 308.725 2.263 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1F ZINC000859354133 685712016 /nfs/dbraw/zinc/71/20/16/685712016.db2.gz SFRGDVZOGKPWOK-UHFFFAOYSA-N 1 2 323.368 2.031 20 5 DEBDLO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930065477 694081972 /nfs/dbraw/zinc/08/19/72/694081972.db2.gz KCOHXBDTBVUVCF-WMLDXEAASA-N 1 2 320.437 2.199 20 5 DEBDLO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000930065477 694081975 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DEBDLO C[C@@H]1COCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878299227 690372235 /nfs/dbraw/zinc/37/22/35/690372235.db2.gz RCDRTCCJSMSMBY-NSHDSACASA-N 1 2 318.333 2.113 20 5 DEBDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000932335931 694594786 /nfs/dbraw/zinc/59/47/86/694594786.db2.gz JTEBUOWEBYPXGS-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000932335931 694594789 /nfs/dbraw/zinc/59/47/89/694594789.db2.gz JTEBUOWEBYPXGS-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000932350192 694598754 /nfs/dbraw/zinc/59/87/54/694598754.db2.gz QNKHOVFJRRUDQQ-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000932350192 694598756 /nfs/dbraw/zinc/59/87/56/694598756.db2.gz QNKHOVFJRRUDQQ-LLVKDONJSA-N 1 2 318.333 2.256 20 5 DEBDLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cccc([N+](=O)[O-])c1 ZINC001356118615 1152058809 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KEVLUNULSKIMHY-RIEGTJTDSA-N 1 2 312.341 2.203 20 5 DEBDLO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](OC)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170328371 786911109 /nfs/dbraw/zinc/91/11/09/786911109.db2.gz KEVLUNULSKIMHY-RIEGTJTDSA-N 1 2 312.341 2.203 20 5 DEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC001170334941 786914781 /nfs/dbraw/zinc/91/47/81/786914781.db2.gz JNKPUROPYADODF-LBPRGKRZSA-N 1 2 316.361 2.247 20 5 DEBDLO COc1ccc(C[C@H](C)[N@H+]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC001170334941 786914787 /nfs/dbraw/zinc/91/47/87/786914787.db2.gz JNKPUROPYADODF-LBPRGKRZSA-N 1 2 316.361 2.247 20 5 DEBDLO CC[N@H+](CC(=O)OC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355673 786917129 /nfs/dbraw/zinc/91/71/29/786917129.db2.gz ONEWNOHBVGJCPL-NSHDSACASA-N 1 2 310.350 2.029 20 5 DEBDLO CC[N@@H+](CC(=O)OC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355673 786917136 /nfs/dbraw/zinc/91/71/36/786917136.db2.gz ONEWNOHBVGJCPL-NSHDSACASA-N 1 2 310.350 2.029 20 5 DEBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCc1[nH]cc[nH+]1 ZINC001146986777 791415432 /nfs/dbraw/zinc/41/54/32/791415432.db2.gz IBIDNQZSDHLOMS-UHFFFAOYSA-N 1 2 322.752 2.263 20 5 DEBDLO Cc1ccc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)c(C)[nH+]1 ZINC001190220291 796957603 /nfs/dbraw/zinc/95/76/03/796957603.db2.gz QJFBSTPRCHWIBC-UHFFFAOYSA-N 1 2 310.317 2.308 20 5 DEBDLO Cc1c(C[NH+]2CCN(Cc3ccno3)CC2)cccc1[N+](=O)[O-] ZINC001197305174 798170688 /nfs/dbraw/zinc/17/06/88/798170688.db2.gz VPXIPKAVCOMECH-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO C[NH+](C)/C=C/c1cc(N2CCCC(=O)[C@H](F)C2)ncc1[N+](=O)[O-] ZINC001164135908 799520980 /nfs/dbraw/zinc/52/09/80/799520980.db2.gz DNQHGYQXUONSEC-HOSRBBHYSA-N 1 2 322.340 2.030 20 5 DEBDLO C[C@@H]1CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CCC1=O ZINC001164369512 799585112 /nfs/dbraw/zinc/58/51/12/799585112.db2.gz QODGACUCCIOWAU-HOSRBBHYSA-N 1 2 318.377 2.328 20 5 DEBDLO CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000932973439 799984693 /nfs/dbraw/zinc/98/46/93/799984693.db2.gz ZYAGPINBTDJNFP-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000932973439 799984697 /nfs/dbraw/zinc/98/46/97/799984697.db2.gz ZYAGPINBTDJNFP-NEPJUHHUSA-N 1 2 307.350 2.033 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCCO2)c1 ZINC000933672718 800158308 /nfs/dbraw/zinc/15/83/08/800158308.db2.gz RKLSDLSXXDTBMC-CVEARBPZSA-N 1 2 306.362 2.365 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCCO2)c1 ZINC000933672718 800158314 /nfs/dbraw/zinc/15/83/14/800158314.db2.gz RKLSDLSXXDTBMC-CVEARBPZSA-N 1 2 306.362 2.365 20 5 DEBDLO CCOC(=O)c1ccc(OC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001230913597 801528505 /nfs/dbraw/zinc/52/85/05/801528505.db2.gz YHPLOJWEJIPIDD-UHFFFAOYSA-N 1 2 308.334 2.243 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3F)[C@H]1CC(=O)C2 ZINC001226180041 803066919 /nfs/dbraw/zinc/06/69/19/803066919.db2.gz HYBRCYVLVOGCPA-DSBAHLMNSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3F)[C@H]1CC(=O)C2 ZINC001226180041 803066924 /nfs/dbraw/zinc/06/69/24/803066924.db2.gz HYBRCYVLVOGCPA-DSBAHLMNSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3Cl)[C@H]1CC(=O)C2 ZINC001226810052 803163578 /nfs/dbraw/zinc/16/35/78/803163578.db2.gz KCCQMXPSHQFBOC-BHYNMZESSA-N 1 2 310.737 2.431 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3Cl)[C@H]1CC(=O)C2 ZINC001226810052 803163583 /nfs/dbraw/zinc/16/35/83/803163583.db2.gz KCCQMXPSHQFBOC-BHYNMZESSA-N 1 2 310.737 2.431 20 5 DEBDLO CC[NH+]1CC(Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227372119 803234488 /nfs/dbraw/zinc/23/44/88/803234488.db2.gz ZDMOIZONIAMHDT-UHFFFAOYSA-N 1 2 308.725 2.274 20 5 DEBDLO CNc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001476451808 1061090080 /nfs/dbraw/zinc/09/00/80/1061090080.db2.gz RKPKBACHSUXOJF-UHFFFAOYSA-N 1 2 301.306 2.353 20 5 DEBDLO Cc1c[nH+]cc(C)c1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001537891321 1072324524 /nfs/dbraw/zinc/32/45/24/1072324524.db2.gz GGWKBAASKWIPOR-UHFFFAOYSA-N 1 2 311.301 2.157 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC001617621369 1078146173 /nfs/dbraw/zinc/14/61/73/1078146173.db2.gz WJAMMUKJPNMVOT-GFCCVEGCSA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC001617621369 1078146175 /nfs/dbraw/zinc/14/61/75/1078146175.db2.gz WJAMMUKJPNMVOT-GFCCVEGCSA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1[N+](=O)[O-] ZINC001617621369 1078146177 /nfs/dbraw/zinc/14/61/77/1078146177.db2.gz WJAMMUKJPNMVOT-GFCCVEGCSA-N 1 2 318.333 2.371 20 5 DEBDLO Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1[N+](=O)[O-] ZINC001617621369 1078146179 /nfs/dbraw/zinc/14/61/79/1078146179.db2.gz WJAMMUKJPNMVOT-GFCCVEGCSA-N 1 2 318.333 2.371 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001541008703 1072435806 /nfs/dbraw/zinc/43/58/06/1072435806.db2.gz VDIXNZGQOAOQTK-VIFPVBQESA-N 1 2 308.725 2.263 20 5 DEBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC001543797767 1072508852 /nfs/dbraw/zinc/50/88/52/1072508852.db2.gz YMSRZWFZCLOAHS-UHFFFAOYSA-N 1 2 324.699 2.281 20 5 DEBDLO CNc1ccc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC001647824356 1074982474 /nfs/dbraw/zinc/98/24/74/1074982474.db2.gz BPFWYUPBRMLRSQ-UHFFFAOYSA-N 1 2 317.349 2.413 20 5 DEBDLO CNc1ccc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC001647824356 1074982475 /nfs/dbraw/zinc/98/24/75/1074982475.db2.gz BPFWYUPBRMLRSQ-UHFFFAOYSA-N 1 2 317.349 2.413 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001558405610 1075092946 /nfs/dbraw/zinc/09/29/46/1075092946.db2.gz RGUIPOJTCFYFGJ-UHFFFAOYSA-N 1 2 316.317 2.300 20 5 DEBDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N)c1cccc([N+](=O)[O-])c1 ZINC001563675585 1075169119 /nfs/dbraw/zinc/16/91/19/1075169119.db2.gz RMOCHDVYBWSEJT-JTQLQIEISA-N 1 2 315.333 2.132 20 5 DEBDLO CSc1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC001584478540 1076300285 /nfs/dbraw/zinc/30/02/85/1076300285.db2.gz PEKYLOXAVQOZSI-UHFFFAOYSA-N 1 2 320.374 2.023 20 5 DEBDLO CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc[nH+]1 ZINC001588306075 1076438684 /nfs/dbraw/zinc/43/86/84/1076438684.db2.gz LOPYXIFOWGANHD-UHFFFAOYSA-N 1 2 314.345 2.246 20 5 DEBDLO COC(=O)c1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC001657986580 1080192539 /nfs/dbraw/zinc/19/25/39/1080192539.db2.gz ZTCAVOGBWQAUKV-SECBINFHSA-N 1 2 305.290 2.220 20 5 DEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncccc3F)C2)nc1 ZINC001658275109 1080204302 /nfs/dbraw/zinc/20/43/02/1080204302.db2.gz XHQZOAYFKOZMIM-NSHDSACASA-N 1 2 317.324 2.210 20 5 DEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncccc3F)C2)nc1 ZINC001658275109 1080204308 /nfs/dbraw/zinc/20/43/08/1080204308.db2.gz XHQZOAYFKOZMIM-NSHDSACASA-N 1 2 317.324 2.210 20 5 DEBDLO C[C@H](CC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)n1cc[nH+]c1 ZINC001337783923 1142802021 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304.281 2.447 20 5 DEBDLO COc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000612345787 361799064 /nfs/dbraw/zinc/79/90/64/361799064.db2.gz LUTLQWITGREXQM-UHFFFAOYSA-N 1 2 316.317 2.317 20 5 DEBDLO Nc1c(F)c(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000266840738 186355791 /nfs/dbraw/zinc/35/57/91/186355791.db2.gz HITLJUIRSZWCTC-UHFFFAOYSA-N 1 2 317.324 2.038 20 5 DEBDLO CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000268746854 186376590 /nfs/dbraw/zinc/37/65/90/186376590.db2.gz FYVBFNZDPUHIRI-CYBMUJFWSA-N 1 2 301.350 2.373 20 5 DEBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172192979 198055260 /nfs/dbraw/zinc/05/52/60/198055260.db2.gz FWMLMMXFISDQNN-UHFFFAOYSA-N 1 2 307.331 2.407 20 5 DEBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000595521177 358472239 /nfs/dbraw/zinc/47/22/39/358472239.db2.gz WYWPCFPVDSKDED-UHFFFAOYSA-N 1 2 302.334 2.424 20 5 DEBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000595518563 358472004 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318.308 2.477 20 5 DEBDLO O=C(N[C@H]1CC[C@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360360731 540104530 /nfs/dbraw/zinc/10/45/30/540104530.db2.gz KJRUIOFZEHZEPD-RYUDHWBXSA-N 1 2 318.308 2.401 20 5 DEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]2C[C@@H]21 ZINC000586897573 357378665 /nfs/dbraw/zinc/37/86/65/357378665.db2.gz CUEMWHAWENGICS-RISCZKNCSA-N 1 2 312.329 2.405 20 5 DEBDLO COc1cc(NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1C ZINC000590576595 357560318 /nfs/dbraw/zinc/56/03/18/357560318.db2.gz WMEISZSXDGBGAS-UHFFFAOYSA-N 1 2 323.393 2.435 20 5 DEBDLO COc1cc(NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1C ZINC000590576595 357560321 /nfs/dbraw/zinc/56/03/21/357560321.db2.gz WMEISZSXDGBGAS-UHFFFAOYSA-N 1 2 323.393 2.435 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000443429913 283267585 /nfs/dbraw/zinc/26/75/85/283267585.db2.gz LOQRIIBBDBGCTQ-UHFFFAOYSA-N 1 2 310.404 2.435 20 5 DEBDLO C[C@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000590761931 357605221 /nfs/dbraw/zinc/60/52/21/357605221.db2.gz VDSVHWWGHGGHLR-NSHDSACASA-N 1 2 318.320 2.312 20 5 DEBDLO C[C@H](O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000590761931 357605227 /nfs/dbraw/zinc/60/52/27/357605227.db2.gz VDSVHWWGHGGHLR-NSHDSACASA-N 1 2 318.320 2.312 20 5 DEBDLO CO[C@@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000276770836 213098447 /nfs/dbraw/zinc/09/84/47/213098447.db2.gz OJBRZXFCTXCACR-FZMZJTMJSA-N 1 2 304.350 2.042 20 5 DEBDLO Cc1noc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000595287645 358412458 /nfs/dbraw/zinc/41/24/58/358412458.db2.gz TYLIFCJCNOLFJM-UHFFFAOYSA-N 1 2 305.290 2.252 20 5 DEBDLO Cc1noc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000595287645 358412459 /nfs/dbraw/zinc/41/24/59/358412459.db2.gz TYLIFCJCNOLFJM-UHFFFAOYSA-N 1 2 305.290 2.252 20 5 DEBDLO CN(C(=O)C[N@H+](C)CC1=CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000595888430 358572032 /nfs/dbraw/zinc/57/20/32/358572032.db2.gz LVJPTLVDSLRUQT-UHFFFAOYSA-N 1 2 321.402 2.163 20 5 DEBDLO CN(C(=O)C[N@@H+](C)CC1=CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000595888430 358572034 /nfs/dbraw/zinc/57/20/34/358572034.db2.gz LVJPTLVDSLRUQT-UHFFFAOYSA-N 1 2 321.402 2.163 20 5 DEBDLO Cc1nnc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000595705845 358529318 /nfs/dbraw/zinc/52/93/18/358529318.db2.gz YPEIQPSLPJMWEJ-UHFFFAOYSA-N 1 2 306.322 2.187 20 5 DEBDLO Cc1nnc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000595705845 358529322 /nfs/dbraw/zinc/52/93/22/358529322.db2.gz YPEIQPSLPJMWEJ-UHFFFAOYSA-N 1 2 306.322 2.187 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596621680 358725889 /nfs/dbraw/zinc/72/58/89/358725889.db2.gz ZPPKAHCYHFQSMD-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO COc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc([N+](=O)[O-])c1C ZINC000598465347 359209388 /nfs/dbraw/zinc/20/93/88/359209388.db2.gz QLMLEHPBIRQFBF-JTQLQIEISA-N 1 2 318.333 2.136 20 5 DEBDLO Cc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000429200582 237350528 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C[C@H]1OCC[C@]12C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000348246350 291238829 /nfs/dbraw/zinc/23/88/29/291238829.db2.gz LOULEWZGIBLDHV-ABAIWWIYSA-N 1 2 310.325 2.114 20 5 DEBDLO Cc1[nH]nc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1[N+](=O)[O-] ZINC000604545846 360916283 /nfs/dbraw/zinc/91/62/83/360916283.db2.gz VBUJTWHUSOESNU-UHFFFAOYSA-N 1 2 312.289 2.269 20 5 DEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609631175 361331344 /nfs/dbraw/zinc/33/13/44/361331344.db2.gz WQXQQEKFWZOWQF-ZDUSSCGKSA-N 1 2 313.361 2.268 20 5 DEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193794386 201124832 /nfs/dbraw/zinc/12/48/32/201124832.db2.gz PEPGUULTDSLYKE-UHFFFAOYSA-N 1 2 319.321 2.259 20 5 DEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193794386 201124835 /nfs/dbraw/zinc/12/48/35/201124835.db2.gz PEPGUULTDSLYKE-UHFFFAOYSA-N 1 2 319.321 2.259 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610762787 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DEBDLO COCC1([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000611178767 361541988 /nfs/dbraw/zinc/54/19/88/361541988.db2.gz MVIKBRGEUUHIGD-UHFFFAOYSA-N 1 2 318.333 2.256 20 5 DEBDLO COCC1([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000611178767 361541995 /nfs/dbraw/zinc/54/19/95/361541995.db2.gz MVIKBRGEUUHIGD-UHFFFAOYSA-N 1 2 318.333 2.256 20 5 DEBDLO CCn1cnnc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447546596 239011288 /nfs/dbraw/zinc/01/12/88/239011288.db2.gz XFFONXAVEPYINU-CQSZACIVSA-N 1 2 301.350 2.373 20 5 DEBDLO CC(C)(CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCOCC1 ZINC000195175117 201353220 /nfs/dbraw/zinc/35/32/20/201353220.db2.gz NVOWAAJJJMNLHO-UHFFFAOYSA-N 1 2 320.393 2.086 20 5 DEBDLO Cc1cccc(N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000275385425 212302066 /nfs/dbraw/zinc/30/20/66/212302066.db2.gz CAICYZRQXIVCDT-UHFFFAOYSA-N 1 2 307.394 2.186 20 5 DEBDLO Cc1cccc(N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000275385425 212302068 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/nfs/dbraw/zinc/47/40/24/403474024.db2.gz VLBPSDWZSNMGBK-UHFFFAOYSA-N 1 2 311.301 2.138 20 5 DEBDLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339872706 403478666 /nfs/dbraw/zinc/47/86/66/403478666.db2.gz NJDOAUXHICOQQJ-UHFFFAOYSA-N 1 2 316.361 2.265 20 5 DEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1C ZINC000343288087 403526957 /nfs/dbraw/zinc/52/69/57/403526957.db2.gz TUSJKLAQSSWABD-UHFFFAOYSA-N 1 2 320.374 2.370 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340060108 403537894 /nfs/dbraw/zinc/53/78/94/403537894.db2.gz UHXRWCMMQFJOGR-UHFFFAOYSA-N 1 2 302.334 2.254 20 5 DEBDLO Cc1ccc([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000287882295 403685512 /nfs/dbraw/zinc/68/55/12/403685512.db2.gz SUBAYNATXSTMQG-LLVKDONJSA-N 1 2 302.334 2.436 20 5 DEBDLO C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000351762011 403903535 /nfs/dbraw/zinc/90/35/35/403903535.db2.gz PYQKGDONTJWLQP-LKFCYVNXSA-N 1 2 300.305 2.466 20 5 DEBDLO C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000351762011 403903537 /nfs/dbraw/zinc/90/35/37/403903537.db2.gz PYQKGDONTJWLQP-LKFCYVNXSA-N 1 2 300.305 2.466 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289530809 403982872 /nfs/dbraw/zinc/98/28/72/403982872.db2.gz NGLGCOLEFBTKQK-PHIMTYICSA-N 1 2 305.290 2.199 20 5 DEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289530809 403982876 /nfs/dbraw/zinc/98/28/76/403982876.db2.gz NGLGCOLEFBTKQK-PHIMTYICSA-N 1 2 305.290 2.199 20 5 DEBDLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000341750385 404152449 /nfs/dbraw/zinc/15/24/49/404152449.db2.gz LZVPFJAPTXUUDB-UHFFFAOYSA-N 1 2 302.334 2.220 20 5 DEBDLO Cc1nc(NCc2cc[nH+]c(N3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000296272943 404172654 /nfs/dbraw/zinc/17/26/54/404172654.db2.gz GYBRYKDSFSQMNQ-UHFFFAOYSA-N 1 2 314.349 2.301 20 5 DEBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000296516245 404285577 /nfs/dbraw/zinc/28/55/77/404285577.db2.gz PRKOMNLRJAKGBH-SECBINFHSA-N 1 2 304.354 2.269 20 5 DEBDLO CC(C)(NC(=O)NCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000291759518 404508795 /nfs/dbraw/zinc/50/87/95/404508795.db2.gz UTMGKJPJYJMEKT-UHFFFAOYSA-N 1 2 317.349 2.026 20 5 DEBDLO Cn1cc[nH+]c1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291850182 404551333 /nfs/dbraw/zinc/55/13/33/404551333.db2.gz MIOPADMXNBAJPN-UHFFFAOYSA-N 1 2 317.349 2.063 20 5 DEBDLO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000374299014 404703397 /nfs/dbraw/zinc/70/33/97/404703397.db2.gz YEHZMYMAJWCOHA-UHFFFAOYSA-N 1 2 319.361 2.001 20 5 DEBDLO C[N@H+](CCC(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000353387266 404819873 /nfs/dbraw/zinc/81/98/73/404819873.db2.gz NYNRKBTVFXLGRY-UHFFFAOYSA-N 1 2 305.256 2.078 20 5 DEBDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000353387266 404819875 /nfs/dbraw/zinc/81/98/75/404819875.db2.gz NYNRKBTVFXLGRY-UHFFFAOYSA-N 1 2 305.256 2.078 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378409226 404957078 /nfs/dbraw/zinc/95/70/78/404957078.db2.gz LNCVSRUJHPITIT-ZDUSSCGKSA-N 1 2 300.318 2.224 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451331474 404957737 /nfs/dbraw/zinc/95/77/37/404957737.db2.gz NTRHCIDODMYXHT-CYBMUJFWSA-N 1 2 324.768 2.147 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451331474 404957742 /nfs/dbraw/zinc/95/77/42/404957742.db2.gz NTRHCIDODMYXHT-CYBMUJFWSA-N 1 2 324.768 2.147 20 5 DEBDLO C[C@@H]1[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOC1(C)C ZINC000408071118 405104310 /nfs/dbraw/zinc/10/43/10/405104310.db2.gz AJLURMOUPPPKKF-NSHDSACASA-N 1 2 322.361 2.461 20 5 DEBDLO C[C@@H]1[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOC1(C)C ZINC000408071118 405104312 /nfs/dbraw/zinc/10/43/12/405104312.db2.gz AJLURMOUPPPKKF-NSHDSACASA-N 1 2 322.361 2.461 20 5 DEBDLO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454286595 405322434 /nfs/dbraw/zinc/32/24/34/405322434.db2.gz BUEGYKZPQWSKBR-MFKMUULPSA-N 1 2 315.333 2.297 20 5 DEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000426087732 405338358 /nfs/dbraw/zinc/33/83/58/405338358.db2.gz XWVYDAZFDRJNBK-SECBINFHSA-N 1 2 319.296 2.067 20 5 DEBDLO Cc1noc([C@H](C)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000580722521 405671707 /nfs/dbraw/zinc/67/17/07/405671707.db2.gz AENVDKYUNWUMIB-JTQLQIEISA-N 1 2 306.322 2.358 20 5 DEBDLO Cc1noc([C@H](C)[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000580722521 405671715 /nfs/dbraw/zinc/67/17/15/405671715.db2.gz AENVDKYUNWUMIB-JTQLQIEISA-N 1 2 306.322 2.358 20 5 DEBDLO Cc1noc([C@@H](C)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000580722522 405672736 /nfs/dbraw/zinc/67/27/36/405672736.db2.gz AENVDKYUNWUMIB-SNVBAGLBSA-N 1 2 306.322 2.358 20 5 DEBDLO Cc1noc([C@@H](C)[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000580722522 405672739 /nfs/dbraw/zinc/67/27/39/405672739.db2.gz AENVDKYUNWUMIB-SNVBAGLBSA-N 1 2 306.322 2.358 20 5 DEBDLO CCc1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000533516686 406148896 /nfs/dbraw/zinc/14/88/96/406148896.db2.gz BGNXQNSKVVTUMA-NSHDSACASA-N 1 2 317.349 2.227 20 5 DEBDLO CCc1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000533516686 406148899 /nfs/dbraw/zinc/14/88/99/406148899.db2.gz BGNXQNSKVVTUMA-NSHDSACASA-N 1 2 317.349 2.227 20 5 DEBDLO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000525210973 406476173 /nfs/dbraw/zinc/47/61/73/406476173.db2.gz RXTJMTFYGINXQG-UHFFFAOYSA-N 1 2 314.305 2.074 20 5 DEBDLO CSc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000548600928 406530190 /nfs/dbraw/zinc/53/01/90/406530190.db2.gz VIOSHVKFFOJRAO-UHFFFAOYSA-N 1 2 318.358 2.210 20 5 DEBDLO COc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000393316799 269099269 /nfs/dbraw/zinc/09/92/69/269099269.db2.gz UQRDGSWRJFKDED-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2c[nH+]c(C)cc2C)n1 ZINC000397554189 269106783 /nfs/dbraw/zinc/10/67/83/269106783.db2.gz IQKMRMXZBUWMFB-UHFFFAOYSA-N 1 2 316.317 2.400 20 5 DEBDLO CN1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)OC1=O ZINC000495596671 269157976 /nfs/dbraw/zinc/15/79/76/269157976.db2.gz SAQYQXMWOAQPMF-ZDUSSCGKSA-N 1 2 305.334 2.010 20 5 DEBDLO CN1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)OC1=O ZINC000495596671 269157977 /nfs/dbraw/zinc/15/79/77/269157977.db2.gz SAQYQXMWOAQPMF-ZDUSSCGKSA-N 1 2 305.334 2.010 20 5 DEBDLO CCOC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000505355446 269310047 /nfs/dbraw/zinc/31/00/47/269310047.db2.gz IPEOCHXPQDEGCA-UHFFFAOYSA-N 1 2 308.334 2.076 20 5 DEBDLO Cc1cnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000505835293 269313225 /nfs/dbraw/zinc/31/32/25/269313225.db2.gz WHDWOXBLQLHYQP-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000268864532 280376318 /nfs/dbraw/zinc/37/63/18/280376318.db2.gz SLOLQUJSYILVRF-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000126101899 281018990 /nfs/dbraw/zinc/01/89/90/281018990.db2.gz JDDAPCAKGFAHMB-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[NH2+]C1 ZINC000262405871 298309280 /nfs/dbraw/zinc/30/92/80/298309280.db2.gz CSSSEGAVOIIHQT-MNOVXSKESA-N 1 2 307.350 2.265 20 5 DEBDLO CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339229167 523804532 /nfs/dbraw/zinc/80/45/32/523804532.db2.gz CUOPVYUJQABZHI-LSDHHAIUSA-N 1 2 321.377 2.423 20 5 DEBDLO CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339229167 523804535 /nfs/dbraw/zinc/80/45/35/523804535.db2.gz CUOPVYUJQABZHI-LSDHHAIUSA-N 1 2 321.377 2.423 20 5 DEBDLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245561703 524433750 /nfs/dbraw/zinc/43/37/50/524433750.db2.gz OCDXZELSWIKFSU-UONOGXRCSA-N 1 2 303.362 2.146 20 5 DEBDLO Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245561703 524433760 /nfs/dbraw/zinc/43/37/60/524433760.db2.gz OCDXZELSWIKFSU-UONOGXRCSA-N 1 2 303.362 2.146 20 5 DEBDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364269893 526985508 /nfs/dbraw/zinc/98/55/08/526985508.db2.gz HWQQAXOCZISIDI-LSDHHAIUSA-N 1 2 304.346 2.165 20 5 DEBDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364269893 526985510 /nfs/dbraw/zinc/98/55/10/526985510.db2.gz HWQQAXOCZISIDI-LSDHHAIUSA-N 1 2 304.346 2.165 20 5 DEBDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353882164 536172157 /nfs/dbraw/zinc/17/21/57/536172157.db2.gz QLAZTMGOTKYRGU-UHFFFAOYSA-N 1 2 313.357 2.343 20 5 DEBDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353882164 536172159 /nfs/dbraw/zinc/17/21/59/536172159.db2.gz QLAZTMGOTKYRGU-UHFFFAOYSA-N 1 2 313.357 2.343 20 5 DEBDLO CCc1nn(C)c(NC[C@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000362323137 536182124 /nfs/dbraw/zinc/18/21/24/536182124.db2.gz WDUHLEUMIBTVTJ-LLVKDONJSA-N 1 2 318.381 2.385 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000360540734 536506146 /nfs/dbraw/zinc/50/61/46/536506146.db2.gz BSRZWPAUGPVEQB-JSGCOSHPSA-N 1 2 322.361 2.247 20 5 DEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000360540734 536506148 /nfs/dbraw/zinc/50/61/48/536506148.db2.gz BSRZWPAUGPVEQB-JSGCOSHPSA-N 1 2 322.361 2.247 20 5 DEBDLO COC(C)(C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835500135 649929830 /nfs/dbraw/zinc/92/98/30/649929830.db2.gz ZKQPKIUESLPPQT-UHFFFAOYSA-N 1 2 319.317 2.362 20 5 DEBDLO COc1c(O)ccc(C[NH2+]Cc2ncc(C)s2)c1[N+](=O)[O-] ZINC000892964458 625811112 /nfs/dbraw/zinc/81/11/12/625811112.db2.gz TZVDXWKQGOSLRH-UHFFFAOYSA-N 1 2 309.347 2.364 20 5 DEBDLO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000892964045 625811199 /nfs/dbraw/zinc/81/11/99/625811199.db2.gz XQXKOXGAIMSUNG-LLVKDONJSA-N 1 2 315.333 2.084 20 5 DEBDLO Cc1c(C[NH2+]Cc2noc3c2COCC3)cccc1[N+](=O)[O-] ZINC000923020336 636913748 /nfs/dbraw/zinc/91/37/48/636913748.db2.gz XNUROSMIEHFNBF-UHFFFAOYSA-N 1 2 303.318 2.254 20 5 DEBDLO C[C@@H](C(=O)OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000755059486 639511300 /nfs/dbraw/zinc/51/13/00/639511300.db2.gz BJBONLFNLUGZIH-SNVBAGLBSA-N 1 2 307.281 2.277 20 5 DEBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCCn1cc[nH+]c1 ZINC000763286293 640527620 /nfs/dbraw/zinc/52/76/20/640527620.db2.gz CDGAFPOAONYWAN-QPJJXVBHSA-N 1 2 301.302 2.438 20 5 DEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000770669457 641405736 /nfs/dbraw/zinc/40/57/36/641405736.db2.gz PSXGEPIHDQOIRX-UHFFFAOYSA-N 1 2 301.350 2.099 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898490406 641678358 /nfs/dbraw/zinc/67/83/58/641678358.db2.gz HRFVCQUKEHFTGV-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898490406 641678362 /nfs/dbraw/zinc/67/83/62/641678362.db2.gz HRFVCQUKEHFTGV-LBPRGKRZSA-N 1 2 309.341 2.067 20 5 DEBDLO CC(C)(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000898904402 641844231 /nfs/dbraw/zinc/84/42/31/641844231.db2.gz WHAZBEDLQKBQFP-UHFFFAOYSA-N 1 2 306.297 2.096 20 5 DEBDLO O=C(c1cccc2[nH+]ccn21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000776938125 642218487 /nfs/dbraw/zinc/21/84/87/642218487.db2.gz MCWZLEIRRWKQHD-UHFFFAOYSA-N 1 2 308.297 2.445 20 5 DEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902067978 642908002 /nfs/dbraw/zinc/90/80/02/642908002.db2.gz MKVMZGKEQJVHIH-ZFWWWQNUSA-N 1 2 303.362 2.241 20 5 DEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902067978 642908008 /nfs/dbraw/zinc/90/80/08/642908008.db2.gz MKVMZGKEQJVHIH-ZFWWWQNUSA-N 1 2 303.362 2.241 20 5 DEBDLO COc1cccc(C(=O)OCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000785016272 643194162 /nfs/dbraw/zinc/19/41/62/643194162.db2.gz ATCOEDRMRFZRHA-UHFFFAOYSA-N 1 2 305.290 2.047 20 5 DEBDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)n1 ZINC000903192296 643281565 /nfs/dbraw/zinc/28/15/65/643281565.db2.gz KYIXFQHNPRVPRX-SNVBAGLBSA-N 1 2 319.365 2.374 20 5 DEBDLO CCN1CCC[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000903389445 643338964 /nfs/dbraw/zinc/33/89/64/643338964.db2.gz VLSOHSJBCGKTMN-CMPLNLGQSA-N 1 2 309.341 2.395 20 5 DEBDLO COc1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000789792093 643776873 /nfs/dbraw/zinc/77/68/73/643776873.db2.gz RVTJORVWQNRHLJ-UHFFFAOYSA-N 1 2 319.317 2.127 20 5 DEBDLO Cc1nn(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1[N+](=O)[O-] ZINC000905678057 644002746 /nfs/dbraw/zinc/00/27/46/644002746.db2.gz KUEFFLYYQWWPPA-SNVBAGLBSA-N 1 2 322.262 2.424 20 5 DEBDLO Cc1nn(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1[N+](=O)[O-] ZINC000905678057 644002750 /nfs/dbraw/zinc/00/27/50/644002750.db2.gz KUEFFLYYQWWPPA-SNVBAGLBSA-N 1 2 322.262 2.424 20 5 DEBDLO COc1cc(C(=O)OCc2cc[nH+]c(N)c2)cc([N+](=O)[O-])c1C ZINC000792170579 644082924 /nfs/dbraw/zinc/08/29/24/644082924.db2.gz ICSYXYLJQGUHRP-UHFFFAOYSA-N 1 2 317.301 2.246 20 5 DEBDLO CCc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000793252165 644216876 /nfs/dbraw/zinc/21/68/76/644216876.db2.gz XANSKEXQGSTNGA-UHFFFAOYSA-N 1 2 303.318 2.290 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1c[nH+]cn1C)CC2 ZINC000793772107 644300992 /nfs/dbraw/zinc/30/09/92/644300992.db2.gz YQDLRQAUMBMQNB-UHFFFAOYSA-N 1 2 314.345 2.159 20 5 DEBDLO C[N@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000799940605 645234336 /nfs/dbraw/zinc/23/43/36/645234336.db2.gz XKCRNSLCMGFFRM-UHFFFAOYSA-N 1 2 306.338 2.217 20 5 DEBDLO C[N@@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000799940605 645234338 /nfs/dbraw/zinc/23/43/38/645234338.db2.gz XKCRNSLCMGFFRM-UHFFFAOYSA-N 1 2 306.338 2.217 20 5 DEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[NH+]1CCCCCCC1 ZINC000056552751 646489954 /nfs/dbraw/zinc/48/99/54/646489954.db2.gz UJOTVTAUZVLCEV-UHFFFAOYSA-N 1 2 317.345 2.414 20 5 DEBDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000817374154 647280512 /nfs/dbraw/zinc/28/05/12/647280512.db2.gz IHZUYBKKVMLQLK-NWDGAFQWSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000817374154 647280513 /nfs/dbraw/zinc/28/05/13/647280513.db2.gz IHZUYBKKVMLQLK-NWDGAFQWSA-N 1 2 324.381 2.049 20 5 DEBDLO COC(=O)C1([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000154651665 648058613 /nfs/dbraw/zinc/05/86/13/648058613.db2.gz GKGGQCBKFYDMRN-CQSZACIVSA-N 1 2 322.361 2.046 20 5 DEBDLO COC(=O)C1([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000154651665 648058616 /nfs/dbraw/zinc/05/86/16/648058616.db2.gz GKGGQCBKFYDMRN-CQSZACIVSA-N 1 2 322.361 2.046 20 5 DEBDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850499473 651940464 /nfs/dbraw/zinc/94/04/64/651940464.db2.gz QFWQYMDKCZNZCM-HOTUBEGUSA-N 1 2 302.338 2.125 20 5 DEBDLO C/C(=C/C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000857979741 652228182 /nfs/dbraw/zinc/22/81/82/652228182.db2.gz DSHJQYCLNHCKRF-KOTGUFOOSA-N 1 2 312.329 2.456 20 5 DEBDLO Cc1c(-c2noc([C@@H]([NH3+])COC(C)C)n2)cccc1[N+](=O)[O-] ZINC000854160607 652649266 /nfs/dbraw/zinc/64/92/66/652649266.db2.gz PYCWVDHOFCWAOE-NSHDSACASA-N 1 2 306.322 2.378 20 5 DEBDLO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(O)CC2)c1 ZINC000929237758 693922694 /nfs/dbraw/zinc/92/26/94/693922694.db2.gz PJQJHRHSGQGQTA-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO CC(C)c1cc([C@@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)[nH]n1 ZINC000872790148 689094000 /nfs/dbraw/zinc/09/40/00/689094000.db2.gz LOGMEHMQUORTIU-GFCCVEGCSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)[nH]n1 ZINC000872790148 689094003 /nfs/dbraw/zinc/09/40/03/689094003.db2.gz LOGMEHMQUORTIU-GFCCVEGCSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n[nH]1 ZINC000872790148 689094006 /nfs/dbraw/zinc/09/40/06/689094006.db2.gz LOGMEHMQUORTIU-GFCCVEGCSA-N 1 2 318.381 2.475 20 5 DEBDLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n[nH]1 ZINC000872790148 689094011 /nfs/dbraw/zinc/09/40/11/689094011.db2.gz LOGMEHMQUORTIU-GFCCVEGCSA-N 1 2 318.381 2.475 20 5 DEBDLO O=C(N[C@H]1CC12CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000874776848 689486879 /nfs/dbraw/zinc/48/68/79/689486879.db2.gz GWZPDGMGCVKAEB-AWEZNQCLSA-N 1 2 312.329 2.453 20 5 DEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)nn3)CC2)n1 ZINC000877484042 690126907 /nfs/dbraw/zinc/12/69/07/690126907.db2.gz UHVJDARSIBSONA-UHFFFAOYSA-N 1 2 322.756 2.072 20 5 DEBDLO COc1cc(C(=O)OCCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC001343731812 1150767736 /nfs/dbraw/zinc/76/77/36/1150767736.db2.gz BVUPINBUJQWDOZ-UHFFFAOYSA-N 1 2 319.317 2.127 20 5 DEBDLO O=C(OCC1CSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001348941097 1151212194 /nfs/dbraw/zinc/21/21/94/1151212194.db2.gz VNQVSTLBCSWGLH-UHFFFAOYSA-N 1 2 319.342 2.300 20 5 DEBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167123583 776702532 /nfs/dbraw/zinc/70/25/32/776702532.db2.gz CPAYERBILFDGBT-UHFFFAOYSA-N 1 2 322.756 2.385 20 5 DEBDLO CC(=O)Nc1ccc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167617231 777393845 /nfs/dbraw/zinc/39/38/45/777393845.db2.gz XCKCOIYJGVZNHY-UHFFFAOYSA-N 1 2 301.306 2.143 20 5 DEBDLO CCOC(=O)c1cc(NCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001167618510 777395056 /nfs/dbraw/zinc/39/50/56/777395056.db2.gz JJRDJFUEJSOSGV-UHFFFAOYSA-N 1 2 316.317 2.361 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC001143513104 778492502 /nfs/dbraw/zinc/49/25/02/778492502.db2.gz XXSSCXFWVBYTRC-LLVKDONJSA-N 1 2 315.333 2.041 20 5 DEBDLO O=C(NCc1ccoc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126170501 778548084 /nfs/dbraw/zinc/54/80/84/778548084.db2.gz CRAZRDCDNYSHDX-UHFFFAOYSA-N 1 2 312.285 2.304 20 5 DEBDLO COc1ccc(C[C@H](C)[NH2+]Cc2noc(C)n2)c([N+](=O)[O-])c1 ZINC001170298610 786894627 /nfs/dbraw/zinc/89/46/27/786894627.db2.gz MZLCJSZLEIRHMX-VIFPVBQESA-N 1 2 306.322 2.016 20 5 DEBDLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900886 793523056 /nfs/dbraw/zinc/52/30/56/793523056.db2.gz HOYSUQFLNWUJNP-FZMZJTMJSA-N 1 2 306.362 2.383 20 5 DEBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001156891931 798102848 /nfs/dbraw/zinc/10/28/48/798102848.db2.gz VPROGDRHLZQQBA-UHFFFAOYSA-N 1 2 300.318 2.127 20 5 DEBDLO COC(=O)C[C@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC001197104608 798149663 /nfs/dbraw/zinc/14/96/63/798149663.db2.gz IPSLIGKPQIVJKJ-HNNXBMFYSA-N 1 2 308.334 2.122 20 5 DEBDLO CC(C)[NH+]1CC(NC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001157526002 798222140 /nfs/dbraw/zinc/22/21/40/798222140.db2.gz MHWFEFWJNJUUIQ-UHFFFAOYSA-N 1 2 320.727 2.375 20 5 DEBDLO O=[N+]([O-])c1cnc(NC2CN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC001161319622 798826473 /nfs/dbraw/zinc/82/64/73/798826473.db2.gz WDCXYJVHJRVFFE-UHFFFAOYSA-N 1 2 305.725 2.339 20 5 DEBDLO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001210952639 801491525 /nfs/dbraw/zinc/49/15/25/801491525.db2.gz NFXXGHHHNJZNIC-LBPRGKRZSA-N 1 2 318.308 2.444 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3c(F)cc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233695604 802185936 /nfs/dbraw/zinc/18/59/36/802185936.db2.gz NOEAFEFDFDPTLC-KDDOJWQBSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@H](Oc3c(F)cc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233695604 802185938 /nfs/dbraw/zinc/18/59/38/802185938.db2.gz NOEAFEFDFDPTLC-KDDOJWQBSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@@H+]1CCO[C@H](COc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226970213 803184045 /nfs/dbraw/zinc/18/40/45/803184045.db2.gz WBCGTHJBGCVYCK-JTQLQIEISA-N 1 2 320.267 2.323 20 5 DEBDLO C[N@H+]1CCO[C@H](COc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226970213 803184051 /nfs/dbraw/zinc/18/40/51/803184051.db2.gz WBCGTHJBGCVYCK-JTQLQIEISA-N 1 2 320.267 2.323 20 5 DEBDLO C[N@@H+]1CCO[C@@H](COc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226970214 803184192 /nfs/dbraw/zinc/18/41/92/803184192.db2.gz WBCGTHJBGCVYCK-SNVBAGLBSA-N 1 2 320.267 2.323 20 5 DEBDLO C[N@H+]1CCO[C@@H](COc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226970214 803184198 /nfs/dbraw/zinc/18/41/98/803184198.db2.gz WBCGTHJBGCVYCK-SNVBAGLBSA-N 1 2 320.267 2.323 20 5 DEBDLO CC[NH+](CC)C[C@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227093639 803200580 /nfs/dbraw/zinc/20/05/80/803200580.db2.gz VKJVIOGDIBXRFN-JTQLQIEISA-N 1 2 320.349 2.353 20 5 DEBDLO COC(=O)c1cccc([N+](=O)[O-])c1OC1C[NH+](C(C)(C)C)C1 ZINC001227122002 803204585 /nfs/dbraw/zinc/20/45/85/803204585.db2.gz JCFMOLZXBJUUAX-UHFFFAOYSA-N 1 2 308.334 2.243 20 5 DEBDLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001460110337 1058261914 /nfs/dbraw/zinc/26/19/14/1058261914.db2.gz JCUKDLLMDDOVAJ-UFBFGSQYSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001460110337 1058261928 /nfs/dbraw/zinc/26/19/28/1058261928.db2.gz JCUKDLLMDDOVAJ-UFBFGSQYSA-N 1 2 315.167 2.312 20 5 DEBDLO Cc1[nH]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1C ZINC001465748981 1059358550 /nfs/dbraw/zinc/35/85/50/1059358550.db2.gz HXGFAJMJYPEWSB-UHFFFAOYSA-N 1 2 322.752 2.447 20 5 DEBDLO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC001621288689 1078172285 /nfs/dbraw/zinc/17/22/85/1078172285.db2.gz QRWKZPLQJOIDHA-UHFFFAOYSA-N 1 2 302.290 2.363 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2c[nH]nn2)cc1 ZINC001578049280 1066968784 /nfs/dbraw/zinc/96/87/84/1066968784.db2.gz UUZXCZYJHDGDEK-HNNXBMFYSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2c[nH]nn2)cc1 ZINC001578049280 1066968796 /nfs/dbraw/zinc/96/87/96/1066968796.db2.gz UUZXCZYJHDGDEK-HNNXBMFYSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2cnn[nH]2)cc1 ZINC001578049280 1066968805 /nfs/dbraw/zinc/96/88/05/1066968805.db2.gz UUZXCZYJHDGDEK-HNNXBMFYSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2cnn[nH]2)cc1 ZINC001578049280 1066968815 /nfs/dbraw/zinc/96/88/15/1066968815.db2.gz UUZXCZYJHDGDEK-HNNXBMFYSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2cn[nH]n2)cc1 ZINC001578049280 1066968825 /nfs/dbraw/zinc/96/88/25/1066968825.db2.gz UUZXCZYJHDGDEK-HNNXBMFYSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2cn[nH]n2)cc1 ZINC001578049280 1066968835 /nfs/dbraw/zinc/96/88/35/1066968835.db2.gz UUZXCZYJHDGDEK-HNNXBMFYSA-N 1 2 301.350 2.483 20 5 DEBDLO COc1ccc(OC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001579230525 1067265337 /nfs/dbraw/zinc/26/53/37/1067265337.db2.gz PJAQRXYKXVXPHL-MRXNPFEDSA-N 1 2 316.313 2.383 20 5 DEBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001520890588 1069186500 /nfs/dbraw/zinc/18/65/00/1069186500.db2.gz JRAVJHMDVXEYTA-UHFFFAOYSA-N 1 2 320.374 2.410 20 5 DEBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1c[nH+]ccc1Nc1ccccc1 ZINC001645308288 1078892730 /nfs/dbraw/zinc/89/27/30/1078892730.db2.gz SBIXESHFDFEUHU-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO Cc1nccnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001540205097 1072403654 /nfs/dbraw/zinc/40/36/54/1072403654.db2.gz PZXLDBVEACEDRU-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC001567229958 1075468607 /nfs/dbraw/zinc/46/86/07/1075468607.db2.gz OVYQEALGLVRRQB-GHMZBOCLSA-N 1 2 307.350 2.359 20 5 DEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c[nH+]c(C)cc2C)n1 ZINC001583839284 1076277736 /nfs/dbraw/zinc/27/77/36/1076277736.db2.gz AEFCNMXIIABXQF-UHFFFAOYSA-N 1 2 300.318 2.240 20 5 DEBDLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585125113 1076339324 /nfs/dbraw/zinc/33/93/24/1076339324.db2.gz IHFVEINHLSJSHO-CQSZACIVSA-N 1 2 303.362 2.358 20 5 DEBDLO CC[N@H+]1CC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585125113 1076339330 /nfs/dbraw/zinc/33/93/30/1076339330.db2.gz IHFVEINHLSJSHO-CQSZACIVSA-N 1 2 303.362 2.358 20 5 DEBDLO O=C(CCCn1cc[nH+]c1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586033982 1076386031 /nfs/dbraw/zinc/38/60/31/1076386031.db2.gz HDIWFNPRUYDHFB-UHFFFAOYSA-N 1 2 320.261 2.085 20 5 DEBDLO Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])n1 ZINC001653727261 1079937779 /nfs/dbraw/zinc/93/77/79/1079937779.db2.gz QPDBNEUFYHDJPO-UHFFFAOYSA-N 1 2 319.321 2.261 20 5 DEBDLO CCOc1cccc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC001336726226 1142548603 /nfs/dbraw/zinc/54/86/03/1142548603.db2.gz NMNIUMVOZXSHME-JSGCOSHPSA-N 1 2 322.409 2.040 20 5 DEBDLO CCOc1cccc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC001336726226 1142548612 /nfs/dbraw/zinc/54/86/12/1142548612.db2.gz NMNIUMVOZXSHME-JSGCOSHPSA-N 1 2 322.409 2.040 20 5 DEBDLO C[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)n1cc[nH+]c1 ZINC001254815047 1143326979 /nfs/dbraw/zinc/32/69/79/1143326979.db2.gz LBVHCPPESKNWEG-QMMMGPOBSA-N 1 2 300.278 2.033 20 5 DEBDLO C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001256712873 1143863860 /nfs/dbraw/zinc/86/38/60/1143863860.db2.gz WBULITFHEKWEQA-GFCCVEGCSA-N 1 2 302.334 2.053 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001263773427 1144394305 /nfs/dbraw/zinc/39/43/05/1144394305.db2.gz TWKXQKFAKBZUQW-UHFFFAOYSA-N 1 2 314.345 2.159 20 5 DEBDLO COC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001327124425 1148331214 /nfs/dbraw/zinc/33/12/14/1148331214.db2.gz PTKWEOUJAGFXIA-UHFFFAOYSA-N 1 2 311.313 2.008 20 5 DEBDLO COC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001327124425 1148331225 /nfs/dbraw/zinc/33/12/25/1148331225.db2.gz PTKWEOUJAGFXIA-UHFFFAOYSA-N 1 2 311.313 2.008 20 5 DEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333849 282168497 /nfs/dbraw/zinc/16/84/97/282168497.db2.gz KWQCDGLJODROCF-UHFFFAOYSA-N 1 2 301.306 2.083 20 5 DEBDLO Cc1cccc(CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000286696811 219114841 /nfs/dbraw/zinc/11/48/41/219114841.db2.gz YAWFBKLSKCNQEV-UHFFFAOYSA-N 1 2 314.345 2.442 20 5 DEBDLO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000173518880 198223650 /nfs/dbraw/zinc/22/36/50/198223650.db2.gz UUMOYOQVDQWQCW-LBPRGKRZSA-N 1 2 310.350 2.093 20 5 DEBDLO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000173518880 198223651 /nfs/dbraw/zinc/22/36/51/198223651.db2.gz UUMOYOQVDQWQCW-LBPRGKRZSA-N 1 2 310.350 2.093 20 5 DEBDLO Cc1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000174242081 198310086 /nfs/dbraw/zinc/31/00/86/198310086.db2.gz XLBZTIVPNAYERH-UHFFFAOYSA-N 1 2 318.333 2.330 20 5 DEBDLO Cn1cc[nH+]c1[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000022261258 354053509 /nfs/dbraw/zinc/05/35/09/354053509.db2.gz MFYPTRKEZLECOK-LBPRGKRZSA-N 1 2 312.333 2.263 20 5 DEBDLO Cc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000046386154 354281385 /nfs/dbraw/zinc/28/13/85/354281385.db2.gz MHVCXLOOPBBUDZ-UHFFFAOYSA-N 1 2 314.345 2.294 20 5 DEBDLO CNC(=O)c1ccc(Nc2ccc(NC)[nH+]c2)c([N+](=O)[O-])c1 ZINC000053573048 354439252 /nfs/dbraw/zinc/43/92/52/354439252.db2.gz PIWSZVRUAJEGLI-UHFFFAOYSA-N 1 2 301.306 2.135 20 5 DEBDLO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000057128087 354557425 /nfs/dbraw/zinc/55/74/25/354557425.db2.gz KGVOVJCXHSOLAT-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058297304 354589983 /nfs/dbraw/zinc/58/99/83/354589983.db2.gz XTMLBQAEQPFNBQ-JTQLQIEISA-N 1 2 313.317 2.091 20 5 DEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000080923090 355393388 /nfs/dbraw/zinc/39/33/88/355393388.db2.gz ZUTFRFIQBYKVGC-UHFFFAOYSA-N 1 2 315.329 2.371 20 5 DEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000080923090 355393392 /nfs/dbraw/zinc/39/33/92/355393392.db2.gz ZUTFRFIQBYKVGC-UHFFFAOYSA-N 1 2 315.329 2.371 20 5 DEBDLO COc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000083424281 355466831 /nfs/dbraw/zinc/46/68/31/355466831.db2.gz QYWBMQOIYRYKMP-UHFFFAOYSA-N 1 2 317.349 2.101 20 5 DEBDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000193840028 356231239 /nfs/dbraw/zinc/23/12/39/356231239.db2.gz GGFLIABCVMJKSM-UHFFFAOYSA-N 1 2 322.752 2.231 20 5 DEBDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000372972767 283255811 /nfs/dbraw/zinc/25/58/11/283255811.db2.gz ICWMRMYQEOTRHR-GFCCVEGCSA-N 1 2 301.302 2.104 20 5 DEBDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000372972767 283255815 /nfs/dbraw/zinc/25/58/15/283255815.db2.gz ICWMRMYQEOTRHR-GFCCVEGCSA-N 1 2 301.302 2.104 20 5 DEBDLO CC[C@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179521349 199049460 /nfs/dbraw/zinc/04/94/60/199049460.db2.gz AZOLMDNCWYBCDH-LBPRGKRZSA-N 1 2 305.378 2.474 20 5 DEBDLO CC[C@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179521349 199049462 /nfs/dbraw/zinc/04/94/62/199049462.db2.gz AZOLMDNCWYBCDH-LBPRGKRZSA-N 1 2 305.378 2.474 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000594494855 358283532 /nfs/dbraw/zinc/28/35/32/358283532.db2.gz JIFRMLTWTIGKCN-ZDUSSCGKSA-N 1 2 302.334 2.425 20 5 DEBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595861091 358566574 /nfs/dbraw/zinc/56/65/74/358566574.db2.gz RSOQFTNYUBDJCS-XPTSAGLGSA-N 1 2 300.305 2.323 20 5 DEBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595861091 358566577 /nfs/dbraw/zinc/56/65/77/358566577.db2.gz RSOQFTNYUBDJCS-XPTSAGLGSA-N 1 2 300.305 2.323 20 5 DEBDLO Cc1nnc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000595886328 358572438 /nfs/dbraw/zinc/57/24/38/358572438.db2.gz UYJWSOXTQCVUHH-UHFFFAOYSA-N 1 2 308.363 2.266 20 5 DEBDLO Cc1nnc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000595886328 358572440 /nfs/dbraw/zinc/57/24/40/358572440.db2.gz UYJWSOXTQCVUHH-UHFFFAOYSA-N 1 2 308.363 2.266 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000596434493 358686579 /nfs/dbraw/zinc/68/65/79/358686579.db2.gz YQNZCVHNFKDTBG-VXGBXAGGSA-N 1 2 309.366 2.125 20 5 DEBDLO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000596434493 358686581 /nfs/dbraw/zinc/68/65/81/358686581.db2.gz YQNZCVHNFKDTBG-VXGBXAGGSA-N 1 2 309.366 2.125 20 5 DEBDLO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000598647603 359274717 /nfs/dbraw/zinc/27/47/17/359274717.db2.gz PITHYXWUISBLLQ-VHSXEESVSA-N 1 2 300.305 2.323 20 5 DEBDLO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000598647603 359274720 /nfs/dbraw/zinc/27/47/20/359274720.db2.gz PITHYXWUISBLLQ-VHSXEESVSA-N 1 2 300.305 2.323 20 5 DEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH+]cn1C ZINC000600839778 359842451 /nfs/dbraw/zinc/84/24/51/359842451.db2.gz NTEATUOIJPSCRF-UHFFFAOYSA-N 1 2 316.361 2.308 20 5 DEBDLO COC(=O)[C@@H](C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338952419 291218307 /nfs/dbraw/zinc/21/83/07/291218307.db2.gz ARLVNTLCLUFBDC-JTQLQIEISA-N 1 2 308.334 2.074 20 5 DEBDLO COC(=O)[C@@H](C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338952419 291218308 /nfs/dbraw/zinc/21/83/08/291218308.db2.gz ARLVNTLCLUFBDC-JTQLQIEISA-N 1 2 308.334 2.074 20 5 DEBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602436539 360372394 /nfs/dbraw/zinc/37/23/94/360372394.db2.gz VJLWXWRUWVWKEZ-UHFFFAOYSA-N 1 2 319.283 2.134 20 5 DEBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602436539 360372397 /nfs/dbraw/zinc/37/23/97/360372397.db2.gz VJLWXWRUWVWKEZ-UHFFFAOYSA-N 1 2 319.283 2.134 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997314 360661539 /nfs/dbraw/zinc/66/15/39/360661539.db2.gz HNMJQUDKTPOONO-IMJJTQAJSA-N 1 2 306.362 2.426 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997314 360661543 /nfs/dbraw/zinc/66/15/43/360661543.db2.gz HNMJQUDKTPOONO-IMJJTQAJSA-N 1 2 306.362 2.426 20 5 DEBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc[nH+]cc3F)CC2)c1 ZINC000603278470 360774844 /nfs/dbraw/zinc/77/48/44/360774844.db2.gz ZFZWFDGDYSQJJR-UHFFFAOYSA-N 1 2 302.309 2.456 20 5 DEBDLO COCc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)no1 ZINC000603419804 360826809 /nfs/dbraw/zinc/82/68/09/360826809.db2.gz GZYMRKRAAPJIJE-UHFFFAOYSA-N 1 2 307.306 2.028 20 5 DEBDLO Cc1cccn2cc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000604564752 360919998 /nfs/dbraw/zinc/91/99/98/360919998.db2.gz RQOZUGOFCFCKKY-UHFFFAOYSA-N 1 2 324.340 2.410 20 5 DEBDLO COC(=O)[C@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000611575869 361637955 /nfs/dbraw/zinc/63/79/55/361637955.db2.gz PMLVFWFURDROLO-OAHLLOKOSA-N 1 2 322.361 2.391 20 5 DEBDLO COC(=O)[C@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000611575869 361637962 /nfs/dbraw/zinc/63/79/62/361637962.db2.gz PMLVFWFURDROLO-OAHLLOKOSA-N 1 2 322.361 2.391 20 5 DEBDLO COc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000275518053 212387793 /nfs/dbraw/zinc/38/77/93/212387793.db2.gz UPWOSGAGNZELMZ-CQSZACIVSA-N 1 2 312.341 2.335 20 5 DEBDLO COc1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000275518053 212387795 /nfs/dbraw/zinc/38/77/95/212387795.db2.gz UPWOSGAGNZELMZ-CQSZACIVSA-N 1 2 312.341 2.335 20 5 DEBDLO COc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1[N+](=O)[O-] ZINC000275440552 212332978 /nfs/dbraw/zinc/33/29/78/212332978.db2.gz FEHHTTQJKVNFTB-UHFFFAOYSA-N 1 2 310.741 2.280 20 5 DEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc([N+](=O)[O-])s1 ZINC000281839815 216580832 /nfs/dbraw/zinc/58/08/32/216580832.db2.gz IVJSHYLHLWAXJM-UHFFFAOYSA-N 1 2 321.284 2.447 20 5 DEBDLO CCOCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000093314225 193228871 /nfs/dbraw/zinc/22/88/71/193228871.db2.gz SQWRTEDDRPQZLY-UHFFFAOYSA-N 1 2 306.322 2.113 20 5 DEBDLO CCOCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000093314225 193228873 /nfs/dbraw/zinc/22/88/73/193228873.db2.gz SQWRTEDDRPQZLY-UHFFFAOYSA-N 1 2 306.322 2.113 20 5 DEBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371550409 296181811 /nfs/dbraw/zinc/18/18/11/296181811.db2.gz CGPOAFOQROYTPE-GFCCVEGCSA-N 1 2 304.281 2.434 20 5 DEBDLO CCOc1cc(C[N@H+](C)C(C)(C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000492697137 249118939 /nfs/dbraw/zinc/11/89/39/249118939.db2.gz QUSVXORWRVMLRM-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO CCOc1cc(C[N@@H+](C)C(C)(C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000492697137 249118942 /nfs/dbraw/zinc/11/89/42/249118942.db2.gz QUSVXORWRVMLRM-UHFFFAOYSA-N 1 2 310.350 2.377 20 5 DEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000058819619 184129243 /nfs/dbraw/zinc/12/92/43/184129243.db2.gz IEFAABALUUGEQK-VIFPVBQESA-N 1 2 308.725 2.263 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000058819620 184129445 /nfs/dbraw/zinc/12/94/45/184129445.db2.gz IEFAABALUUGEQK-SECBINFHSA-N 1 2 308.725 2.263 20 5 DEBDLO CNc1[nH+]cnc2c1cnn2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000435801591 533091061 /nfs/dbraw/zinc/09/10/61/533091061.db2.gz WBSOQXOBMLBWTR-UHFFFAOYSA-N 1 2 318.724 2.478 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccnc1 ZINC000156059396 197083753 /nfs/dbraw/zinc/08/37/53/197083753.db2.gz HOZQUOUERAVHJL-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC000156059396 197083755 /nfs/dbraw/zinc/08/37/55/197083755.db2.gz HOZQUOUERAVHJL-LBPRGKRZSA-N 1 2 314.345 2.449 20 5 DEBDLO CCN1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000343110792 285337932 /nfs/dbraw/zinc/33/79/32/285337932.db2.gz TYOWYOSUJFZIRT-ZDUSSCGKSA-N 1 2 319.340 2.340 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362508419 133234316 /nfs/dbraw/zinc/23/43/16/133234316.db2.gz GXARORARTHXJNT-OAHLLOKOSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362508419 133234317 /nfs/dbraw/zinc/23/43/17/133234317.db2.gz GXARORARTHXJNT-OAHLLOKOSA-N 1 2 306.362 2.222 20 5 DEBDLO CCCCn1nnnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564289281 292090364 /nfs/dbraw/zinc/09/03/64/292090364.db2.gz BIEXKILHQRNYHQ-NSHDSACASA-N 1 2 304.354 2.232 20 5 DEBDLO Cc1c(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189799474 145034356 /nfs/dbraw/zinc/03/43/56/145034356.db2.gz CBUHQSYBWLREFK-OAHLLOKOSA-N 1 2 305.378 2.250 20 5 DEBDLO Cc1c(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189799474 145034359 /nfs/dbraw/zinc/03/43/59/145034359.db2.gz CBUHQSYBWLREFK-OAHLLOKOSA-N 1 2 305.378 2.250 20 5 DEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346016984 145999921 /nfs/dbraw/zinc/99/99/21/145999921.db2.gz MSWAIZJZLUORTI-ZDUSSCGKSA-N 1 2 313.313 2.283 20 5 DEBDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000349241416 146361895 /nfs/dbraw/zinc/36/18/95/146361895.db2.gz KYNFADJIJMCUIF-NXEZZACHSA-N 1 2 304.306 2.261 20 5 DEBDLO CC(C)OC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000372168084 148176724 /nfs/dbraw/zinc/17/67/24/148176724.db2.gz ZLDDFVWTQYHIEX-AWEZNQCLSA-N 1 2 324.377 2.099 20 5 DEBDLO CC(C)OC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000372168084 148176726 /nfs/dbraw/zinc/17/67/26/148176726.db2.gz ZLDDFVWTQYHIEX-AWEZNQCLSA-N 1 2 324.377 2.099 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374637066 148271609 /nfs/dbraw/zinc/27/16/09/148271609.db2.gz PPAAKMSHFXXUEV-HNNXBMFYSA-N 1 2 304.325 2.399 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374637066 148271612 /nfs/dbraw/zinc/27/16/12/148271612.db2.gz PPAAKMSHFXXUEV-HNNXBMFYSA-N 1 2 304.325 2.399 20 5 DEBDLO CC1CCN(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088605220 401934003 /nfs/dbraw/zinc/93/40/03/401934003.db2.gz NRKIZCTVLDVBJE-UHFFFAOYSA-N 1 2 317.389 2.211 20 5 DEBDLO CC1CCN(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088605220 401934005 /nfs/dbraw/zinc/93/40/05/401934005.db2.gz NRKIZCTVLDVBJE-UHFFFAOYSA-N 1 2 317.389 2.211 20 5 DEBDLO COCc1cc([N+](=O)[O-])ccc1N(C)CCCn1cc[nH+]c1 ZINC000133038337 401878372 /nfs/dbraw/zinc/87/83/72/401878372.db2.gz PTVVYIPHOKHILG-UHFFFAOYSA-N 1 2 304.350 2.464 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091926483 401999289 /nfs/dbraw/zinc/99/92/89/401999289.db2.gz OOHSKNDMWWMNRI-LUACWQNHSA-N 1 2 318.373 2.488 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091926483 401999291 /nfs/dbraw/zinc/99/92/91/401999291.db2.gz OOHSKNDMWWMNRI-LUACWQNHSA-N 1 2 318.373 2.488 20 5 DEBDLO CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000123704317 402142710 /nfs/dbraw/zinc/14/27/10/402142710.db2.gz MQMQHDQUGJHSHX-UHFFFAOYSA-N 1 2 321.421 2.385 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(F)F ZINC000103488378 402191131 /nfs/dbraw/zinc/19/11/31/402191131.db2.gz CLHFCKLQPCHPAU-UHFFFAOYSA-N 1 2 301.293 2.429 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(F)F ZINC000103488378 402191134 /nfs/dbraw/zinc/19/11/34/402191134.db2.gz CLHFCKLQPCHPAU-UHFFFAOYSA-N 1 2 301.293 2.429 20 5 DEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1[nH+]ccn1C(F)F ZINC000177050204 402364184 /nfs/dbraw/zinc/36/41/84/402364184.db2.gz QIVQARWEOPHDQR-UHFFFAOYSA-N 1 2 310.216 2.143 20 5 DEBDLO CC(C)N1CCC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177684001 402426450 /nfs/dbraw/zinc/42/64/50/402426450.db2.gz JPRXARNBQFENPC-HNNXBMFYSA-N 1 2 305.378 2.426 20 5 DEBDLO CC(C)N1CCC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177684001 402426453 /nfs/dbraw/zinc/42/64/53/402426453.db2.gz JPRXARNBQFENPC-HNNXBMFYSA-N 1 2 305.378 2.426 20 5 DEBDLO O=C1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000245567783 402471173 /nfs/dbraw/zinc/47/11/73/402471173.db2.gz UWECYBXXBGLCNX-WQELODFKSA-N 1 2 315.373 2.351 20 5 DEBDLO O=C1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000245567783 402471177 /nfs/dbraw/zinc/47/11/77/402471177.db2.gz UWECYBXXBGLCNX-WQELODFKSA-N 1 2 315.373 2.351 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)O1 ZINC000252443526 402653556 /nfs/dbraw/zinc/65/35/56/402653556.db2.gz ZMMJKAXOOXTSJT-IAQYHMDHSA-N 1 2 322.361 2.461 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)O1 ZINC000252443526 402653557 /nfs/dbraw/zinc/65/35/57/402653557.db2.gz ZMMJKAXOOXTSJT-IAQYHMDHSA-N 1 2 322.361 2.461 20 5 DEBDLO C[C@@H]1COCC[N@@H+]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766696 402748829 /nfs/dbraw/zinc/74/88/29/402748829.db2.gz SOLRIRLQFAZFON-CQSZACIVSA-N 1 2 319.405 2.280 20 5 DEBDLO C[C@@H]1COCC[N@H+]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766696 402748830 /nfs/dbraw/zinc/74/88/30/402748830.db2.gz SOLRIRLQFAZFON-CQSZACIVSA-N 1 2 319.405 2.280 20 5 DEBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000280608805 403018642 /nfs/dbraw/zinc/01/86/42/403018642.db2.gz YUMGIMULAODZKL-LBPRGKRZSA-N 1 2 316.304 2.399 20 5 DEBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000280608805 403018643 /nfs/dbraw/zinc/01/86/43/403018643.db2.gz YUMGIMULAODZKL-LBPRGKRZSA-N 1 2 316.304 2.399 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000280209380 402975615 /nfs/dbraw/zinc/97/56/15/402975615.db2.gz IPGCHAQCIJUHTN-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000280209380 402975617 /nfs/dbraw/zinc/97/56/17/402975617.db2.gz IPGCHAQCIJUHTN-IAQYHMDHSA-N 1 2 310.325 2.114 20 5 DEBDLO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nncn1C ZINC000285419618 403292155 /nfs/dbraw/zinc/29/21/55/403292155.db2.gz QBZYDQBYKYJBQD-CYBMUJFWSA-N 1 2 307.329 2.349 20 5 DEBDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000292087548 403287676 /nfs/dbraw/zinc/28/76/76/403287676.db2.gz DZWLMWKGAFIQJJ-UHFFFAOYSA-N 1 2 303.318 2.227 20 5 DEBDLO Cc1ccoc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000292087548 403287678 /nfs/dbraw/zinc/28/76/78/403287678.db2.gz DZWLMWKGAFIQJJ-UHFFFAOYSA-N 1 2 303.318 2.227 20 5 DEBDLO CCOC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000342635419 403291077 /nfs/dbraw/zinc/29/10/77/403291077.db2.gz KFXLJQQVHKZKFL-UHFFFAOYSA-N 1 2 322.361 2.391 20 5 DEBDLO CCOC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000342635419 403291081 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303.362 2.209 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000378507503 292295359 /nfs/dbraw/zinc/29/53/59/292295359.db2.gz LMTXLDVWZSSYIC-GDBMZVCRSA-N 1 2 319.405 2.371 20 5 DEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347979564 403990412 /nfs/dbraw/zinc/99/04/12/403990412.db2.gz ISNOYSGTXAFFSK-CYBMUJFWSA-N 1 2 318.308 2.363 20 5 DEBDLO Cc1cnc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C2CC2)s1 ZINC000347953433 403974147 /nfs/dbraw/zinc/97/41/47/403974147.db2.gz KCQLYJWDNLYLIJ-NSHDSACASA-N 1 2 307.379 2.334 20 5 DEBDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000352009253 404073897 /nfs/dbraw/zinc/07/38/97/404073897.db2.gz UJRDDRGFONBEEA-UHFFFAOYSA-N 1 2 319.317 2.394 20 5 DEBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000412090531 404125471 /nfs/dbraw/zinc/12/54/71/404125471.db2.gz QFUSHPCWCKSPEB-UWVGGRQHSA-N 1 2 300.305 2.466 20 5 DEBDLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F 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ZINC000127369305 401731584 /nfs/dbraw/zinc/73/15/84/401731584.db2.gz YAMXWVBXBZWJGK-UHFFFAOYSA-N 1 2 315.329 2.129 20 5 DEBDLO CN1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000127369305 401731586 /nfs/dbraw/zinc/73/15/86/401731586.db2.gz YAMXWVBXBZWJGK-UHFFFAOYSA-N 1 2 315.329 2.129 20 5 DEBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126584217 401700292 /nfs/dbraw/zinc/70/02/92/401700292.db2.gz MYHAPTNTKYEADZ-UGZDLDLSSA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126584217 401700296 /nfs/dbraw/zinc/70/02/96/401700296.db2.gz MYHAPTNTKYEADZ-UGZDLDLSSA-N 1 2 304.799 2.447 20 5 DEBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112644744 401752460 /nfs/dbraw/zinc/75/24/60/401752460.db2.gz DXQBNYZRUNSMBJ-MNOVXSKESA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112644744 401752462 /nfs/dbraw/zinc/75/24/62/401752462.db2.gz DXQBNYZRUNSMBJ-MNOVXSKESA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607424 401934024 /nfs/dbraw/zinc/93/40/24/401934024.db2.gz VNUDCBUAWIFCCB-ZDUSSCGKSA-N 1 2 317.389 2.211 20 5 DEBDLO C[C@H]1CCCN(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607424 401934025 /nfs/dbraw/zinc/93/40/25/401934025.db2.gz VNUDCBUAWIFCCB-ZDUSSCGKSA-N 1 2 317.389 2.211 20 5 DEBDLO CC(C)c1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000120346351 401987678 /nfs/dbraw/zinc/98/76/78/401987678.db2.gz DAHMDFXECJYUQS-UHFFFAOYSA-N 1 2 305.378 2.429 20 5 DEBDLO CC(C)c1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000120346351 401987680 /nfs/dbraw/zinc/98/76/80/401987680.db2.gz DAHMDFXECJYUQS-UHFFFAOYSA-N 1 2 305.378 2.429 20 5 DEBDLO Cc1c(NC(=O)N(C)Cc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000092728469 402008448 /nfs/dbraw/zinc/00/84/48/402008448.db2.gz MHRCHGKAGNMHEH-UHFFFAOYSA-N 1 2 303.322 2.301 20 5 DEBDLO CN(CC(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000103397205 402186803 /nfs/dbraw/zinc/18/68/03/402186803.db2.gz NGOKKZWCOYIWST-UHFFFAOYSA-N 1 2 310.260 2.118 20 5 DEBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000068571586 402202769 /nfs/dbraw/zinc/20/27/69/402202769.db2.gz CNLNDLWUXRFFNH-UHFFFAOYSA-N 1 2 310.313 2.481 20 5 DEBDLO CCC[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000109803682 402276124 /nfs/dbraw/zinc/27/61/24/402276124.db2.gz STJMWZVWCBHQBX-OAHLLOKOSA-N 1 2 310.350 2.295 20 5 DEBDLO CC(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163327826 402447077 /nfs/dbraw/zinc/44/70/77/402447077.db2.gz GKHQIRPTDPVMTP-NSHDSACASA-N 1 2 311.769 2.349 20 5 DEBDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163327826 402447079 /nfs/dbraw/zinc/44/70/79/402447079.db2.gz GKHQIRPTDPVMTP-NSHDSACASA-N 1 2 311.769 2.349 20 5 DEBDLO Cc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC000178372177 402490972 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CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)C(F)(F)F ZINC000282378642 403148419 /nfs/dbraw/zinc/14/84/19/403148419.db2.gz COQBRQYTCLBYNR-LLVKDONJSA-N 1 2 310.247 2.479 20 5 DEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)C(F)(F)F ZINC000282378642 403148420 /nfs/dbraw/zinc/14/84/20/403148420.db2.gz COQBRQYTCLBYNR-LLVKDONJSA-N 1 2 310.247 2.479 20 5 DEBDLO CCOc1cccc(NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000277294040 403202263 /nfs/dbraw/zinc/20/22/63/403202263.db2.gz BBAHTKKKTVSSNP-UHFFFAOYSA-N 1 2 321.377 2.270 20 5 DEBDLO COc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1[N+](=O)[O-] ZINC000283827683 403226559 /nfs/dbraw/zinc/22/65/59/403226559.db2.gz DTXRCLHPBZVQPU-UHFFFAOYSA-N 1 2 306.322 2.320 20 5 DEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c1 ZINC000270488848 403195394 /nfs/dbraw/zinc/19/53/94/403195394.db2.gz AMYCJANDKVXRHH-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO COc1cc(N(C)CCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000271096017 403263479 /nfs/dbraw/zinc/26/34/79/403263479.db2.gz MUQFSSKRFMJHSJ-UHFFFAOYSA-N 1 2 308.313 2.466 20 5 DEBDLO C[C@H]1[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1(C)C ZINC000331064809 403320471 /nfs/dbraw/zinc/32/04/71/403320471.db2.gz XCHCAXCKALZIOQ-SNVBAGLBSA-N 1 2 307.350 2.477 20 5 DEBDLO C[C@H]1[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1(C)C ZINC000331064809 403320474 /nfs/dbraw/zinc/32/04/74/403320474.db2.gz XCHCAXCKALZIOQ-SNVBAGLBSA-N 1 2 307.350 2.477 20 5 DEBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332237105 403525077 /nfs/dbraw/zinc/52/50/77/403525077.db2.gz SSLFRSJMGAEAFP-INIZCTEOSA-N 1 2 322.361 2.462 20 5 DEBDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332237105 403525078 /nfs/dbraw/zinc/52/50/78/403525078.db2.gz SSLFRSJMGAEAFP-INIZCTEOSA-N 1 2 322.361 2.462 20 5 DEBDLO COC[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347329510 403666452 /nfs/dbraw/zinc/66/64/52/403666452.db2.gz CKWXGEVLJYHFNR-LPDYGMJQSA-N 1 2 306.362 2.345 20 5 DEBDLO COC[C@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347329510 403666456 /nfs/dbraw/zinc/66/64/56/403666456.db2.gz CKWXGEVLJYHFNR-LPDYGMJQSA-N 1 2 306.362 2.345 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412028453 404065808 /nfs/dbraw/zinc/06/58/08/404065808.db2.gz MVIJMDSQBWAWPQ-NSHDSACASA-N 1 2 317.349 2.019 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412028453 404065816 /nfs/dbraw/zinc/06/58/16/404065816.db2.gz MVIJMDSQBWAWPQ-NSHDSACASA-N 1 2 317.349 2.019 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412028453 404065824 /nfs/dbraw/zinc/06/58/24/404065824.db2.gz MVIJMDSQBWAWPQ-NSHDSACASA-N 1 2 317.349 2.019 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412028453 404065829 /nfs/dbraw/zinc/06/58/29/404065829.db2.gz MVIJMDSQBWAWPQ-NSHDSACASA-N 1 2 317.349 2.019 20 5 DEBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000355222235 404292412 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ZINC000449549823 405608304 /nfs/dbraw/zinc/60/83/04/405608304.db2.gz ASMSUWYEUNLDEL-YRGRVCCFSA-N 1 2 306.362 2.283 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449472672 405575986 /nfs/dbraw/zinc/57/59/86/405575986.db2.gz QFQGQFLSCHXHAI-IMJJTQAJSA-N 1 2 306.362 2.426 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449472672 405575989 /nfs/dbraw/zinc/57/59/89/405575989.db2.gz QFQGQFLSCHXHAI-IMJJTQAJSA-N 1 2 306.362 2.426 20 5 DEBDLO CCOc1cccc(NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000546576152 406362612 /nfs/dbraw/zinc/36/26/12/406362612.db2.gz UHYLZBLKVULCPM-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO CCOc1cccc(NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000546576152 406362619 /nfs/dbraw/zinc/36/26/19/406362619.db2.gz UHYLZBLKVULCPM-GFCCVEGCSA-N 1 2 309.366 2.126 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000572313007 406644089 /nfs/dbraw/zinc/64/40/89/406644089.db2.gz KBZXWZGVGOKHNI-ZDUSSCGKSA-N 1 2 320.393 2.263 20 5 DEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000575195614 424946286 /nfs/dbraw/zinc/94/62/86/424946286.db2.gz PCAXNJOPGDKTIH-UHFFFAOYSA-N 1 2 305.338 2.606 20 5 DEBDLO O=[N+]([O-])c1cccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000351551642 425039383 /nfs/dbraw/zinc/03/93/83/425039383.db2.gz ZFHJTOXLEAUYFI-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DEBDLO Cc1cc(C2=CC[N@H+](Cc3cc[nH]n3)CC2)cc([N+](=O)[O-])c1N ZINC000359867035 269042924 /nfs/dbraw/zinc/04/29/24/269042924.db2.gz GSUPSQFIAOIKQB-UHFFFAOYSA-N 1 2 313.361 2.498 20 5 DEBDLO Cc1cc(C2=CC[N@@H+](Cc3cc[nH]n3)CC2)cc([N+](=O)[O-])c1N ZINC000359867035 269042926 /nfs/dbraw/zinc/04/29/26/269042926.db2.gz GSUPSQFIAOIKQB-UHFFFAOYSA-N 1 2 313.361 2.498 20 5 DEBDLO CC(C)(C(=O)NCCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000429909364 269121993 /nfs/dbraw/zinc/12/19/93/269121993.db2.gz JVFAMDAHSKIZCK-UHFFFAOYSA-N 1 2 316.361 2.275 20 5 DEBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430223396 269126368 /nfs/dbraw/zinc/12/63/68/269126368.db2.gz GAAHUVISTOSRQY-ZDUSSCGKSA-N 1 2 321.377 2.094 20 5 DEBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430223396 269126369 /nfs/dbraw/zinc/12/63/69/269126369.db2.gz GAAHUVISTOSRQY-ZDUSSCGKSA-N 1 2 321.377 2.094 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000505843471 269313284 /nfs/dbraw/zinc/31/32/84/269313284.db2.gz YJDIUUMQKLWKFU-UHFFFAOYSA-N 1 2 302.330 2.295 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC000505843471 269313285 /nfs/dbraw/zinc/31/32/85/269313285.db2.gz YJDIUUMQKLWKFU-UHFFFAOYSA-N 1 2 302.330 2.295 20 5 DEBDLO CC(C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nncn1C ZINC000352490291 277918197 /nfs/dbraw/zinc/91/81/97/277918197.db2.gz IBDVGDGBARQHSJ-ZDUSSCGKSA-N 1 2 307.329 2.349 20 5 DEBDLO O=C(Cc1cn2ccccc2[nH+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000065123979 281509904 /nfs/dbraw/zinc/50/99/04/281509904.db2.gz CTZVDNUSHBDSBP-UHFFFAOYSA-N 1 2 324.340 2.144 20 5 DEBDLO C[C@H](C(=O)NCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000575975574 326259667 /nfs/dbraw/zinc/25/96/67/326259667.db2.gz RNLDQEBYLWTVNJ-LBPRGKRZSA-N 1 2 314.345 2.322 20 5 DEBDLO C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000584328348 333034384 /nfs/dbraw/zinc/03/43/84/333034384.db2.gz OQIPAPAMGFOYLO-CHWSQXEVSA-N 1 2 316.361 2.347 20 5 DEBDLO CCOc1ccc(NC(=O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000016442245 334267978 /nfs/dbraw/zinc/26/79/78/334267978.db2.gz BGXPPMKBBFOWQZ-UHFFFAOYSA-N 1 2 307.350 2.418 20 5 DEBDLO CC(C)(C(=O)N1CCn2c[nH+]cc2C1)c1ccccc1[N+](=O)[O-] ZINC000357357312 534318436 /nfs/dbraw/zinc/31/84/36/534318436.db2.gz UIKKRICNKKYQPS-UHFFFAOYSA-N 1 2 314.345 2.111 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](O)C3CCOCC3)c2c1 ZINC000413157913 534885277 /nfs/dbraw/zinc/88/52/77/534885277.db2.gz RDEITNBMFQBYHF-HNNXBMFYSA-N 1 2 317.345 2.342 20 5 DEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000190299704 534888162 /nfs/dbraw/zinc/88/81/62/534888162.db2.gz FGOOSDISAMLMIX-UHFFFAOYSA-N 1 2 304.375 2.374 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000154432277 527394286 /nfs/dbraw/zinc/39/42/86/527394286.db2.gz RGSPCBZLPNQJQY-HOCLYGCPSA-N 1 2 318.329 2.295 20 5 DEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000154432277 527394292 /nfs/dbraw/zinc/39/42/92/527394292.db2.gz RGSPCBZLPNQJQY-HOCLYGCPSA-N 1 2 318.329 2.295 20 5 DEBDLO CCOC(=O)c1cc(N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000428118636 528177834 /nfs/dbraw/zinc/17/78/34/528177834.db2.gz GGNJPPGOCLGYEW-UHFFFAOYSA-N 1 2 304.306 2.131 20 5 DEBDLO COC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835313140 649904582 /nfs/dbraw/zinc/90/45/82/649904582.db2.gz HQJCYGFKPJFVNC-LLVKDONJSA-N 1 2 319.317 2.220 20 5 DEBDLO Cc1cc(NNC(=S)Nc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000735989294 633561423 /nfs/dbraw/zinc/56/14/23/633561423.db2.gz HBONYZNMWOOHOX-UHFFFAOYSA-N 1 2 318.362 2.315 20 5 DEBDLO CC(C)[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000837538451 650214703 /nfs/dbraw/zinc/21/47/03/650214703.db2.gz MAMJWTHEMDFQEK-OAHLLOKOSA-N 1 2 322.361 2.464 20 5 DEBDLO CC1(C)CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000726964746 637418144 /nfs/dbraw/zinc/41/81/44/637418144.db2.gz BYHRFIAQDMJQED-UHFFFAOYSA-N 1 2 317.345 2.270 20 5 DEBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000896660156 638622884 /nfs/dbraw/zinc/62/28/84/638622884.db2.gz SNMGNXJPVCJVHW-UHFFFAOYSA-N 1 2 302.334 2.383 20 5 DEBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728538835 639249871 /nfs/dbraw/zinc/24/98/71/639249871.db2.gz QIUQNMHTNLADQK-LBPRGKRZSA-N 1 2 318.308 2.408 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000729851148 640846891 /nfs/dbraw/zinc/84/68/91/640846891.db2.gz MVMBZNJVCCHTBM-HNNXBMFYSA-N 1 2 302.334 2.212 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000729851148 640846895 /nfs/dbraw/zinc/84/68/95/640846895.db2.gz MVMBZNJVCCHTBM-HNNXBMFYSA-N 1 2 302.334 2.212 20 5 DEBDLO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1C[N@H+](C)CCO1 ZINC000770475933 641374097 /nfs/dbraw/zinc/37/40/97/641374097.db2.gz LVNPBJFZZZGIJJ-JOYOIKCWSA-N 1 2 322.390 2.336 20 5 DEBDLO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1C[N@@H+](C)CCO1 ZINC000770475933 641374098 /nfs/dbraw/zinc/37/40/98/641374098.db2.gz LVNPBJFZZZGIJJ-JOYOIKCWSA-N 1 2 322.390 2.336 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCn1cc[nH+]c1)CC2 ZINC000773992248 641849339 /nfs/dbraw/zinc/84/93/39/641849339.db2.gz VWLBTIQAKAEXTK-UHFFFAOYSA-N 1 2 314.345 2.469 20 5 DEBDLO C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1C)C[NH+]1CCOCC1 ZINC000899909893 642209243 /nfs/dbraw/zinc/20/92/43/642209243.db2.gz BXVJVSDLRBSBCL-FMIVXFBMSA-N 1 2 319.361 2.120 20 5 DEBDLO CC(C)(C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000805611224 642410351 /nfs/dbraw/zinc/41/03/51/642410351.db2.gz UWZWWSCAAZLAJA-UHFFFAOYSA-N 1 2 320.345 2.195 20 5 DEBDLO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1c(F)cccc1[N+](=O)[O-] ZINC000903419846 643351091 /nfs/dbraw/zinc/35/10/91/643351091.db2.gz IAMSKIRZWWAGLK-JTQLQIEISA-N 1 2 320.324 2.311 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C2CC2)nn1 ZINC000906302503 644200877 /nfs/dbraw/zinc/20/08/77/644200877.db2.gz QKKMVLZDCJUKQF-UHFFFAOYSA-N 1 2 301.350 2.196 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C2CC2)nn1 ZINC000906302503 644200881 /nfs/dbraw/zinc/20/08/81/644200881.db2.gz QKKMVLZDCJUKQF-UHFFFAOYSA-N 1 2 301.350 2.196 20 5 DEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)OCCCn1cc[nH+]c1 ZINC000795711976 644624069 /nfs/dbraw/zinc/62/40/69/644624069.db2.gz RPECHKPRWKFINN-UHFFFAOYSA-N 1 2 319.317 2.437 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)Cc1cccnc1 ZINC000797422766 644878867 /nfs/dbraw/zinc/87/88/67/644878867.db2.gz XWFQYGFLQKCGDV-UHFFFAOYSA-N 1 2 316.317 2.240 20 5 DEBDLO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000804357455 645760254 /nfs/dbraw/zinc/76/02/54/645760254.db2.gz BVGORRQOBSGPCW-JTQLQIEISA-N 1 2 305.294 2.448 20 5 DEBDLO O=C(Cc1c[nH]c[nH+]1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652357 646130526 /nfs/dbraw/zinc/13/05/26/646130526.db2.gz DVKHPKBERSHJJT-UHFFFAOYSA-N 1 2 300.318 2.230 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC000821704535 648093788 /nfs/dbraw/zinc/09/37/88/648093788.db2.gz DBZKXBZFIHXOHX-VXGBXAGGSA-N 1 2 312.329 2.319 20 5 DEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC000821704535 648093795 /nfs/dbraw/zinc/09/37/95/648093795.db2.gz DBZKXBZFIHXOHX-VXGBXAGGSA-N 1 2 312.329 2.319 20 5 DEBDLO Cc1nn(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844745767 651164172 /nfs/dbraw/zinc/16/41/72/651164172.db2.gz GJSMFWXLKOSKNX-GFCCVEGCSA-N 1 2 300.309 2.487 20 5 DEBDLO Cc1nn(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844745767 651164174 /nfs/dbraw/zinc/16/41/74/651164174.db2.gz GJSMFWXLKOSKNX-GFCCVEGCSA-N 1 2 300.309 2.487 20 5 DEBDLO CC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000846947888 651364122 /nfs/dbraw/zinc/36/41/22/651364122.db2.gz ISYZPVVTJRNWKO-NSHDSACASA-N 1 2 319.361 2.223 20 5 DEBDLO COC[C@@H]1CC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848490166 651463069 /nfs/dbraw/zinc/46/30/69/651463069.db2.gz MNKACHLHBWHEBZ-ZDUSSCGKSA-N 1 2 302.334 2.137 20 5 DEBDLO COC[C@@H]1CC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848490166 651463070 /nfs/dbraw/zinc/46/30/70/651463070.db2.gz MNKACHLHBWHEBZ-ZDUSSCGKSA-N 1 2 302.334 2.137 20 5 DEBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnnn1C1CC1 ZINC000848546824 651469277 /nfs/dbraw/zinc/46/92/77/651469277.db2.gz GXRKVPHHZBMHHA-RNCFNFMXSA-N 1 2 314.349 2.254 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC000857884650 652195776 /nfs/dbraw/zinc/19/57/76/652195776.db2.gz DWFWCDPQRGDUDT-SECBINFHSA-N 1 2 320.736 2.108 20 5 DEBDLO Cc1cc(F)cc(C(=O)N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000122602136 684116724 /nfs/dbraw/zinc/11/67/24/684116724.db2.gz SKOSZZGIRAARPO-UHFFFAOYSA-N 1 2 320.324 2.401 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2Cc3ccc(O)cc3C2)c1 ZINC000859477305 685738102 /nfs/dbraw/zinc/73/81/02/685738102.db2.gz OYLOPMZQKLLYNF-MRXNPFEDSA-N 1 2 300.314 2.350 20 5 DEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000859477305 685738110 /nfs/dbraw/zinc/73/81/10/685738110.db2.gz OYLOPMZQKLLYNF-MRXNPFEDSA-N 1 2 300.314 2.350 20 5 DEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859477121 685738344 /nfs/dbraw/zinc/73/83/44/685738344.db2.gz IPMQSJIPCLOFJI-INIZCTEOSA-N 1 2 300.314 2.350 20 5 DEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859477121 685738346 /nfs/dbraw/zinc/73/83/46/685738346.db2.gz IPMQSJIPCLOFJI-INIZCTEOSA-N 1 2 300.314 2.350 20 5 DEBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000860172559 685895808 /nfs/dbraw/zinc/89/58/08/685895808.db2.gz FJUNOUPCDGCLBN-CQSZACIVSA-N 1 2 309.341 2.225 20 5 DEBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000860172559 685895811 /nfs/dbraw/zinc/89/58/11/685895811.db2.gz FJUNOUPCDGCLBN-CQSZACIVSA-N 1 2 309.341 2.225 20 5 DEBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866745498 687673750 /nfs/dbraw/zinc/67/37/50/687673750.db2.gz XXEGABHGVAXTQS-UHFFFAOYSA-N 1 2 320.324 2.022 20 5 DEBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC001031516995 688935886 /nfs/dbraw/zinc/93/58/86/688935886.db2.gz CCXCYGIZRLYQDO-UHFFFAOYSA-N 1 2 315.329 2.050 20 5 DEBDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000879335655 690622429 /nfs/dbraw/zinc/62/24/29/690622429.db2.gz UXPSCBYBQNJNFS-CYBMUJFWSA-N 1 2 324.356 2.017 20 5 DEBDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000879335655 690622431 /nfs/dbraw/zinc/62/24/31/690622431.db2.gz UXPSCBYBQNJNFS-CYBMUJFWSA-N 1 2 324.356 2.017 20 5 DEBDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000879338672 690622901 /nfs/dbraw/zinc/62/29/01/690622901.db2.gz YPVSDTLPKJVVIQ-CYBMUJFWSA-N 1 2 324.356 2.017 20 5 DEBDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000879338672 690622903 /nfs/dbraw/zinc/62/29/03/690622903.db2.gz YPVSDTLPKJVVIQ-CYBMUJFWSA-N 1 2 324.356 2.017 20 5 DEBDLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880295341 690861740 /nfs/dbraw/zinc/86/17/40/690861740.db2.gz SGCALGUQTCQNPO-SECBINFHSA-N 1 2 315.732 2.478 20 5 DEBDLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880295341 690861742 /nfs/dbraw/zinc/86/17/42/690861742.db2.gz SGCALGUQTCQNPO-SECBINFHSA-N 1 2 315.732 2.478 20 5 DEBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000881777584 691160923 /nfs/dbraw/zinc/16/09/23/691160923.db2.gz LRFRNKNPSDLSFJ-UHFFFAOYSA-N 1 2 306.297 2.044 20 5 DEBDLO C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000882087200 691214169 /nfs/dbraw/zinc/21/41/69/691214169.db2.gz XMWQEIVBTLBUQX-ZYHUDNBSSA-N 1 2 305.313 2.413 20 5 DEBDLO COc1cc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])ccc1O ZINC000885988971 691978931 /nfs/dbraw/zinc/97/89/31/691978931.db2.gz TWTRRPMGAALYMQ-UHFFFAOYSA-N 1 2 303.318 2.336 20 5 DEBDLO COc1cc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])ccc1O ZINC000885988971 691978933 /nfs/dbraw/zinc/97/89/33/691978933.db2.gz TWTRRPMGAALYMQ-UHFFFAOYSA-N 1 2 303.318 2.336 20 5 DEBDLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000924841691 693192693 /nfs/dbraw/zinc/19/26/93/693192693.db2.gz LAMKXUMQRLGABL-JTQLQIEISA-N 1 2 319.365 2.374 20 5 DEBDLO CNc1ccc(C(=O)OCCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001348626989 1151177416 /nfs/dbraw/zinc/17/74/16/1151177416.db2.gz VZLGWXFKWILBIP-UHFFFAOYSA-N 1 2 318.333 2.160 20 5 DEBDLO Cc1cn(C[N@H+]2CCC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000173520024 778282352 /nfs/dbraw/zinc/28/23/52/778282352.db2.gz XTOBXQYPEZGAGI-GFCCVEGCSA-N 1 2 316.361 2.297 20 5 DEBDLO Cc1cn(C[N@@H+]2CCC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000173520024 778282359 /nfs/dbraw/zinc/28/23/59/778282359.db2.gz XTOBXQYPEZGAGI-GFCCVEGCSA-N 1 2 316.361 2.297 20 5 DEBDLO CC/C=C/CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001129354146 785469299 /nfs/dbraw/zinc/46/92/99/785469299.db2.gz IJWRRKZOAHKJLZ-ONEGZZNKSA-N 1 2 300.318 2.477 20 5 DEBDLO O=c1[nH]cccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001183189139 795819946 /nfs/dbraw/zinc/81/99/46/795819946.db2.gz QDFZJQJBZAXRQK-UHFFFAOYSA-N 1 2 300.274 2.126 20 5 DEBDLO COc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001157225620 798166888 /nfs/dbraw/zinc/16/68/88/798166888.db2.gz JMQCBPGUJURPNM-UHFFFAOYSA-N 1 2 305.269 2.169 20 5 DEBDLO Cc1cc(N(CC[NH+]2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC001163780181 799430038 /nfs/dbraw/zinc/43/00/38/799430038.db2.gz VGNKIVRKPBSSPL-UHFFFAOYSA-N 1 2 319.405 2.452 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233695608 802185972 /nfs/dbraw/zinc/18/59/72/802185972.db2.gz NOEAFEFDFDPTLC-RLCGTCKNSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233695608 802185976 /nfs/dbraw/zinc/18/59/76/802185976.db2.gz NOEAFEFDFDPTLC-RLCGTCKNSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226339310 803093772 /nfs/dbraw/zinc/09/37/72/803093772.db2.gz IUPFVVZIMRCBLE-VIFPVBQESA-N 1 2 316.155 2.225 20 5 DEBDLO C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226339310 803093777 /nfs/dbraw/zinc/09/37/77/803093777.db2.gz IUPFVVZIMRCBLE-VIFPVBQESA-N 1 2 316.155 2.225 20 5 DEBDLO COCCn1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001330697734 1149260886 /nfs/dbraw/zinc/26/08/86/1149260886.db2.gz LLCVTKIFPMDLKB-LLVKDONJSA-N 1 2 322.340 2.428 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2)C1 ZINC001622599967 1078191799 /nfs/dbraw/zinc/19/17/99/1078191799.db2.gz ZLGAPRPIDUTOSZ-UHFFFAOYSA-N 1 2 312.329 2.407 20 5 DEBDLO O=C(NOC/C=C\Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001629186126 1078311556 /nfs/dbraw/zinc/31/15/56/1078311556.db2.gz TYTADPKKDDEIPC-RJRFIUFISA-N 1 2 322.708 2.194 20 5 DEBDLO Cc1[nH]c(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[nH+]c1C ZINC001635375145 1078449007 /nfs/dbraw/zinc/44/90/07/1078449007.db2.gz BNNVDIFCBXPTHU-UHFFFAOYSA-N 1 2 306.297 2.312 20 5 DEBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001570747373 1068105748 /nfs/dbraw/zinc/10/57/48/1068105748.db2.gz RNBSPZWHKNWGOC-MRVPVSSYSA-N 1 2 324.287 2.091 20 5 DEBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001570747373 1068105754 /nfs/dbraw/zinc/10/57/54/1068105754.db2.gz RNBSPZWHKNWGOC-MRVPVSSYSA-N 1 2 324.287 2.091 20 5 DEBDLO CCOCCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001641521542 1078716026 /nfs/dbraw/zinc/71/60/26/1078716026.db2.gz GGOHIKCYUVEUHM-UHFFFAOYSA-N 1 2 324.377 2.318 20 5 DEBDLO CN(CCCNC(=O)c1ccccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001643445316 1078801117 /nfs/dbraw/zinc/80/11/17/1078801117.db2.gz UKAIYPGFOMBGSF-UHFFFAOYSA-N 1 2 314.345 2.246 20 5 DEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001520813935 1069180193 /nfs/dbraw/zinc/18/01/93/1069180193.db2.gz HHUGXNZXMMYXHF-UHFFFAOYSA-N 1 2 320.374 2.474 20 5 DEBDLO O=C1OCC[C@]12CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001648658459 1075004683 /nfs/dbraw/zinc/00/46/83/1075004683.db2.gz XNTIZPYIVNZIJU-AWEZNQCLSA-N 1 2 312.272 2.012 20 5 DEBDLO O=C1OCC[C@]12CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001648658459 1075004685 /nfs/dbraw/zinc/00/46/85/1075004685.db2.gz XNTIZPYIVNZIJU-AWEZNQCLSA-N 1 2 312.272 2.012 20 5 DEBDLO Cn1c[nH+]cc1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001559261662 1075117171 /nfs/dbraw/zinc/11/71/71/1075117171.db2.gz JBCCFLSEIDWOHK-UHFFFAOYSA-N 1 2 301.281 2.050 20 5 DEBDLO Cc1[nH]c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]c1C ZINC001651892866 1079839853 /nfs/dbraw/zinc/83/98/53/1079839853.db2.gz LMZDFPUIIALWCC-GFCCVEGCSA-N 1 2 303.322 2.240 20 5 DEBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001654711393 1079976088 /nfs/dbraw/zinc/97/60/88/1079976088.db2.gz FXCPYFJFRDQRCZ-JTQLQIEISA-N 1 2 312.333 2.420 20 5 DEBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C)n2C)cc1[N+](=O)[O-] ZINC001319670733 1140652833 /nfs/dbraw/zinc/65/28/33/1140652833.db2.gz IVEKXMGSTBVIKL-SNVBAGLBSA-N 1 2 319.365 2.281 20 5 DEBDLO COC[C@@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248186367 1141719378 /nfs/dbraw/zinc/71/93/78/1141719378.db2.gz KPNDFMWXFSGWOQ-GFCCVEGCSA-N 1 2 321.340 2.479 20 5 DEBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(N)=O)cc1 ZINC001324018534 1141961098 /nfs/dbraw/zinc/96/10/98/1141961098.db2.gz HGSRSTHYJVMNSM-UHFFFAOYSA-N 1 2 305.359 2.387 20 5 DEBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(N)=O)cc1 ZINC001324018534 1141961111 /nfs/dbraw/zinc/96/11/11/1141961111.db2.gz HGSRSTHYJVMNSM-UHFFFAOYSA-N 1 2 305.359 2.387 20 5 DEBDLO COc1ccc(CC(=O)Nc2c(C)c[nH+]cc2C)cc1[N+](=O)[O-] ZINC001338991454 1142897812 /nfs/dbraw/zinc/89/78/12/1142897812.db2.gz GXVMXQCFDPATDR-UHFFFAOYSA-N 1 2 315.329 2.218 20 5 DEBDLO CC[C@H](C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC ZINC001254572436 1143258427 /nfs/dbraw/zinc/25/84/27/1143258427.db2.gz NFPHPXADFXYZLK-XEGUGMAKSA-N 1 2 306.362 2.239 20 5 DEBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604838 1143279591 /nfs/dbraw/zinc/27/95/91/1143279591.db2.gz XTCVKDMORWXRGV-CVEARBPZSA-N 1 2 318.373 2.480 20 5 DEBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604838 1143279613 /nfs/dbraw/zinc/27/96/13/1143279613.db2.gz XTCVKDMORWXRGV-CVEARBPZSA-N 1 2 318.373 2.480 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000302779543 230829164 /nfs/dbraw/zinc/82/91/64/230829164.db2.gz QTJBWQSTUHTSAW-AWEZNQCLSA-N 1 2 320.324 2.407 20 5 DEBDLO CCn1cc[nH+]c1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000295706855 529571405 /nfs/dbraw/zinc/57/14/05/529571405.db2.gz JLFJSVJHACDJFK-UHFFFAOYSA-N 1 2 302.334 2.060 20 5 DEBDLO Cn1c(Cl)cnc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000179870645 282233833 /nfs/dbraw/zinc/23/38/33/282233833.db2.gz ZAOHZHFRNGBTMZ-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000179870645 282233836 /nfs/dbraw/zinc/23/38/36/282233836.db2.gz ZAOHZHFRNGBTMZ-UHFFFAOYSA-N 1 2 324.768 2.493 20 5 DEBDLO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000595450731 358452521 /nfs/dbraw/zinc/45/25/21/358452521.db2.gz WKSZGGSZMOYKGS-LLVKDONJSA-N 1 2 310.247 2.479 20 5 DEBDLO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000595450731 358452522 /nfs/dbraw/zinc/45/25/22/358452522.db2.gz WKSZGGSZMOYKGS-LLVKDONJSA-N 1 2 310.247 2.479 20 5 DEBDLO COC(=O)[C@@H]1[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC001353580907 1151840127 /nfs/dbraw/zinc/84/01/27/1151840127.db2.gz DDAXRUMKEQMHNZ-JQWIXIFHSA-N 1 2 314.288 2.081 20 5 DEBDLO COC(=O)[C@@H]1[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC001353580907 1151840130 /nfs/dbraw/zinc/84/01/30/1151840130.db2.gz DDAXRUMKEQMHNZ-JQWIXIFHSA-N 1 2 314.288 2.081 20 5 DEBDLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000615704979 362684554 /nfs/dbraw/zinc/68/45/54/362684554.db2.gz GGAYEMWPWFZHDE-AAEUAGOBSA-N 1 2 314.345 2.231 20 5 DEBDLO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000595450735 358452810 /nfs/dbraw/zinc/45/28/10/358452810.db2.gz WKSZGGSZMOYKGS-NSHDSACASA-N 1 2 310.247 2.479 20 5 DEBDLO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000595450735 358452815 /nfs/dbraw/zinc/45/28/15/358452815.db2.gz WKSZGGSZMOYKGS-NSHDSACASA-N 1 2 310.247 2.479 20 5 DEBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615994537 362748371 /nfs/dbraw/zinc/74/83/71/362748371.db2.gz OEEFLDZHXUIMQO-ZDUSSCGKSA-N 1 2 305.378 2.273 20 5 DEBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000287035315 219281092 /nfs/dbraw/zinc/28/10/92/219281092.db2.gz SLLFEWXQVOABQW-LLVKDONJSA-N 1 2 313.379 2.367 20 5 DEBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000287035315 219281094 /nfs/dbraw/zinc/28/10/94/219281094.db2.gz SLLFEWXQVOABQW-LLVKDONJSA-N 1 2 313.379 2.367 20 5 DEBDLO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000255887911 282668318 /nfs/dbraw/zinc/66/83/18/282668318.db2.gz AYVPASFNYKEYIW-IRBQFCFKSA-N 1 2 314.345 2.257 20 5 DEBDLO Cc1noc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595535346 358475983 /nfs/dbraw/zinc/47/59/83/358475983.db2.gz XFBWVRGGASSGQK-VIFPVBQESA-N 1 2 313.354 2.301 20 5 DEBDLO Cc1noc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595535346 358475986 /nfs/dbraw/zinc/47/59/86/358475986.db2.gz XFBWVRGGASSGQK-VIFPVBQESA-N 1 2 313.354 2.301 20 5 DEBDLO Cc1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000073069277 191276304 /nfs/dbraw/zinc/27/63/04/191276304.db2.gz LNGXJRLLRUOEFR-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182171318 199396924 /nfs/dbraw/zinc/39/69/24/199396924.db2.gz MLGPWVWXJWNFQX-GFCCVEGCSA-N 1 2 312.391 2.243 20 5 DEBDLO C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182171318 199396926 /nfs/dbraw/zinc/39/69/26/199396926.db2.gz MLGPWVWXJWNFQX-GFCCVEGCSA-N 1 2 312.391 2.243 20 5 DEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000067744488 354776126 /nfs/dbraw/zinc/77/61/26/354776126.db2.gz AUHGMQRPVIKXTL-UHFFFAOYSA-N 1 2 311.341 2.340 20 5 DEBDLO CCO[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618281998 363446516 /nfs/dbraw/zinc/44/65/16/363446516.db2.gz MQOWXWAYXFWKRN-GFCCVEGCSA-N 1 2 304.350 2.472 20 5 DEBDLO CCO[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618281998 363446519 /nfs/dbraw/zinc/44/65/19/363446519.db2.gz MQOWXWAYXFWKRN-GFCCVEGCSA-N 1 2 304.350 2.472 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075555892 355093129 /nfs/dbraw/zinc/09/31/29/355093129.db2.gz QHDBSZXPAJSOMV-GFCCVEGCSA-N 1 2 300.318 2.338 20 5 DEBDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076402029 355146810 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DEBDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596232986 358647539 /nfs/dbraw/zinc/64/75/39/358647539.db2.gz VHUQPNGNEDPKEV-JQWIXIFHSA-N 1 2 311.407 2.264 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCCO1 ZINC000596340671 358670308 /nfs/dbraw/zinc/67/03/08/358670308.db2.gz PJEZDDFIBCEYNO-AWEZNQCLSA-N 1 2 321.377 2.018 20 5 DEBDLO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459795 359207178 /nfs/dbraw/zinc/20/71/78/359207178.db2.gz MYEFTUMJJFKIJH-SNVBAGLBSA-N 1 2 320.374 2.298 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598949061 359364413 /nfs/dbraw/zinc/36/44/13/359364413.db2.gz SRZKMKIIAJDDCN-NSHDSACASA-N 1 2 320.736 2.190 20 5 DEBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601035786 359901258 /nfs/dbraw/zinc/90/12/58/359901258.db2.gz KBJGOOQXNNWYCO-LLVKDONJSA-N 1 2 318.308 2.408 20 5 DEBDLO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000189278279 200374772 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2.043 20 5 DEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451657393 243273753 /nfs/dbraw/zinc/27/37/53/243273753.db2.gz YPQSTBDLVPTGBZ-MJBXVCDLSA-N 1 2 307.394 2.043 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349247616 296144042 /nfs/dbraw/zinc/14/40/42/296144042.db2.gz ULBGTLZUXOWLFO-ZJUUUORDSA-N 1 2 304.306 2.261 20 5 DEBDLO CC(C)c1n[nH]c(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000282945690 217343890 /nfs/dbraw/zinc/34/38/90/217343890.db2.gz HPSSOWDOLDQRTG-JTQLQIEISA-N 1 2 320.353 2.292 20 5 DEBDLO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456393830 247155569 /nfs/dbraw/zinc/15/55/69/247155569.db2.gz RQHBQKPXIKSRAE-UFBFGSQYSA-N 1 2 304.281 2.366 20 5 DEBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127492085 296243598 /nfs/dbraw/zinc/24/35/98/296243598.db2.gz LLFAWQKWMRUPMH-NSHDSACASA-N 1 2 314.345 2.282 20 5 DEBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127492085 296243601 /nfs/dbraw/zinc/24/36/01/296243601.db2.gz LLFAWQKWMRUPMH-NSHDSACASA-N 1 2 314.345 2.282 20 5 DEBDLO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000274086035 211339715 /nfs/dbraw/zinc/33/97/15/211339715.db2.gz MJBXWXUHBNLGLJ-UHFFFAOYSA-N 1 2 323.393 2.494 20 5 DEBDLO CCCn1ncnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285271541 218359706 /nfs/dbraw/zinc/35/97/06/218359706.db2.gz IQIFCJIWUGKUHI-UHFFFAOYSA-N 1 2 303.366 2.271 20 5 DEBDLO CCCn1ncnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285271541 218359710 /nfs/dbraw/zinc/35/97/10/218359710.db2.gz IQIFCJIWUGKUHI-UHFFFAOYSA-N 1 2 303.366 2.271 20 5 DEBDLO CCC[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000109802218 194286321 /nfs/dbraw/zinc/28/63/21/194286321.db2.gz KJQUYQCNHDXLEH-HNNXBMFYSA-N 1 2 310.350 2.295 20 5 DEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000360540733 133188732 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2.374 20 5 DEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000374360929 148235523 /nfs/dbraw/zinc/23/55/23/148235523.db2.gz PMBGBYHVKMUEKH-JTQLQIEISA-N 1 2 318.308 2.097 20 5 DEBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000129563383 401805606 /nfs/dbraw/zinc/80/56/06/401805606.db2.gz NQVWPLCFHXDQEL-GFCCVEGCSA-N 1 2 310.350 2.246 20 5 DEBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000129563383 401805609 /nfs/dbraw/zinc/80/56/09/401805609.db2.gz NQVWPLCFHXDQEL-GFCCVEGCSA-N 1 2 310.350 2.246 20 5 DEBDLO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000076198872 401786497 /nfs/dbraw/zinc/78/64/97/401786497.db2.gz RSFJWYLFSFWMDP-UHFFFAOYSA-N 1 2 321.377 2.152 20 5 DEBDLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000078491221 401853175 /nfs/dbraw/zinc/85/31/75/401853175.db2.gz KMAPOMGFCJLGGI-JTQLQIEISA-N 1 2 321.333 2.136 20 5 DEBDLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000078491221 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ZINC000332369695 403562335 /nfs/dbraw/zinc/56/23/35/403562335.db2.gz WLWNNVZUSJPQMV-NSHDSACASA-N 1 2 317.349 2.107 20 5 DEBDLO CC[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 ZINC000340467405 403621405 /nfs/dbraw/zinc/62/14/05/403621405.db2.gz OYCFOZJOWZZDEA-UHFFFAOYSA-N 1 2 321.362 2.010 20 5 DEBDLO CC[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 ZINC000340467405 403621407 /nfs/dbraw/zinc/62/14/07/403621407.db2.gz OYCFOZJOWZZDEA-UHFFFAOYSA-N 1 2 321.362 2.010 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412038140 404075727 /nfs/dbraw/zinc/07/57/27/404075727.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 1 2 317.349 2.019 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412038140 404075734 /nfs/dbraw/zinc/07/57/34/404075734.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 1 2 317.349 2.019 20 5 DEBDLO CC(C)Oc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000412111422 404141329 /nfs/dbraw/zinc/14/13/29/404141329.db2.gz UBWJXXLEAJSMRJ-UHFFFAOYSA-N 1 2 304.306 2.035 20 5 DEBDLO COC(=O)COc1ccc(CNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000352309533 404281586 /nfs/dbraw/zinc/28/15/86/404281586.db2.gz YGJISZAWLMPSDF-UHFFFAOYSA-N 1 2 317.301 2.154 20 5 DEBDLO Cn1cnnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290793109 404314178 /nfs/dbraw/zinc/31/41/78/404314178.db2.gz DHUQTEUVBGBGLS-UHFFFAOYSA-N 1 2 316.148 2.320 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nc3ncccn3n1)CCC2 ZINC000414269874 404560285 /nfs/dbraw/zinc/56/02/85/404560285.db2.gz LBYYLOLTDPAPOJ-AWEZNQCLSA-N 1 2 324.344 2.200 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352990668 404713237 /nfs/dbraw/zinc/71/32/37/404713237.db2.gz SHKDNFPZSKSDHK-SLEUVZQESA-N 1 2 324.402 2.083 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352990668 404713242 /nfs/dbraw/zinc/71/32/42/404713242.db2.gz SHKDNFPZSKSDHK-SLEUVZQESA-N 1 2 324.402 2.083 20 5 DEBDLO Nc1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000376084470 404800232 /nfs/dbraw/zinc/80/02/32/404800232.db2.gz XFPYKNRQPHVRBG-UHFFFAOYSA-N 1 2 310.317 2.370 20 5 DEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc[nH+]cc1O ZINC000360944588 404858321 /nfs/dbraw/zinc/85/83/21/404858321.db2.gz NYFWDEQYROMKOE-GFCCVEGCSA-N 1 2 315.329 2.325 20 5 DEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378525448 404991982 /nfs/dbraw/zinc/99/19/82/404991982.db2.gz YJAOMIUYIDJLFM-GFCCVEGCSA-N 1 2 316.317 2.060 20 5 DEBDLO C[NH+](C)CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000456170677 405527294 /nfs/dbraw/zinc/52/72/94/405527294.db2.gz NPBNDSKJHGLYTM-UHFFFAOYSA-N 1 2 309.366 2.151 20 5 DEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnc(OC)n1 ZINC000449378935 405531415 /nfs/dbraw/zinc/53/14/15/405531415.db2.gz RPWNZNXAYISDIJ-UHFFFAOYSA-N 1 2 318.333 2.082 20 5 DEBDLO C[NH+](C)Cc1csc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000457289227 405781767 /nfs/dbraw/zinc/78/17/67/405781767.db2.gz AYRZLQKEVSXIJS-UHFFFAOYSA-N 1 2 320.374 2.294 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000585231130 405876354 /nfs/dbraw/zinc/87/63/54/405876354.db2.gz LKSZLCPYEGYWOY-UHFFFAOYSA-N 1 2 324.300 2.131 20 5 DEBDLO COCC1(C)C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000459623548 405987831 /nfs/dbraw/zinc/98/78/31/405987831.db2.gz RDAIHYHTVJKSON-UHFFFAOYSA-N 1 2 310.350 2.080 20 5 DEBDLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000532576041 406085562 /nfs/dbraw/zinc/08/55/62/406085562.db2.gz NFAYLZWGWCVVDM-QWRGUYRKSA-N 1 2 309.391 2.359 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459790646 406046943 /nfs/dbraw/zinc/04/69/43/406046943.db2.gz MOQJRWXEVSBJSI-WDEREUQCSA-N 1 2 317.349 2.006 20 5 DEBDLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)C1 ZINC000570914254 406454112 /nfs/dbraw/zinc/45/41/12/406454112.db2.gz SOOWSNXFCGEURH-CYBMUJFWSA-N 1 2 318.333 2.346 20 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CN(CC[NH+]1CCOCC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000809351515 646218223 /nfs/dbraw/zinc/21/82/23/646218223.db2.gz BKNCHKCSDFXHML-UHFFFAOYSA-N 1 2 315.320 2.301 20 5 DEBDLO CC(C)CC[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000068961162 648515011 /nfs/dbraw/zinc/51/50/11/648515011.db2.gz CDCJEZRGWPQMAT-UHFFFAOYSA-N 1 2 305.334 2.126 20 5 DEBDLO CC(C)CC[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000068961162 648515015 /nfs/dbraw/zinc/51/50/15/648515015.db2.gz CDCJEZRGWPQMAT-UHFFFAOYSA-N 1 2 305.334 2.126 20 5 DEBDLO CCON(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000831487257 649601514 /nfs/dbraw/zinc/60/15/14/649601514.db2.gz SMRDXVIDHAPDBV-UHFFFAOYSA-N 1 2 304.306 2.194 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454405 651131233 /nfs/dbraw/zinc/13/12/33/651131233.db2.gz NLKVVPQREUTNSQ-KPXOXKRLSA-N 1 2 311.288 2.119 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454405 651131234 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324.340 2.170 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001473810705 1060733397 /nfs/dbraw/zinc/73/33/97/1060733397.db2.gz IARJZYAXTKYXMF-UHFFFAOYSA-N 1 2 314.345 2.470 20 5 DEBDLO Cc1[nH]c(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH+]c1C ZINC001630882331 1078352029 /nfs/dbraw/zinc/35/20/29/1078352029.db2.gz KYVAQHJIZCYEKD-UHFFFAOYSA-N 1 2 313.317 2.346 20 5 DEBDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001633462868 1078405481 /nfs/dbraw/zinc/40/54/81/1078405481.db2.gz WOFOEAWDOQOPAJ-ZDUSSCGKSA-N 1 2 315.333 2.018 20 5 DEBDLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001633462868 1078405485 /nfs/dbraw/zinc/40/54/85/1078405485.db2.gz WOFOEAWDOQOPAJ-ZDUSSCGKSA-N 1 2 315.333 2.018 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)C2)c(Br)c1 ZINC000050103546 1078460474 /nfs/dbraw/zinc/46/04/74/1078460474.db2.gz UDAFSUYOVWSJND-LLVKDONJSA-N 1 2 315.167 2.314 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(Br)c1 ZINC000050103546 1078460476 /nfs/dbraw/zinc/46/04/76/1078460476.db2.gz UDAFSUYOVWSJND-LLVKDONJSA-N 1 2 315.167 2.314 20 5 DEBDLO Cc1c(CC(=O)OCCCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC001519076983 1069033008 /nfs/dbraw/zinc/03/30/08/1069033008.db2.gz RIHLYTXWLUQKOK-UHFFFAOYSA-N 1 2 317.345 2.355 20 5 DEBDLO Cn1cc([N+](=O)[O-])c(NCCn2c[nH+]cc2-c2ccccc2)n1 ZINC001559248273 1075116305 /nfs/dbraw/zinc/11/63/05/1075116305.db2.gz MODXODOVDOTRCJ-UHFFFAOYSA-N 1 2 312.333 2.304 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001560231860 1075133845 /nfs/dbraw/zinc/13/38/45/1075133845.db2.gz CRKCJYLYJCLPET-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001560231860 1075133847 /nfs/dbraw/zinc/13/38/47/1075133847.db2.gz CRKCJYLYJCLPET-CHWSQXEVSA-N 1 2 321.377 2.341 20 5 DEBDLO CN(CCCNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001650902913 1079779001 /nfs/dbraw/zinc/77/90/01/1079779001.db2.gz AAPSRFAGYQNRDE-UHFFFAOYSA-N 1 2 314.345 2.246 20 5 DEBDLO CCc1[nH]c(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c[nH+]1 ZINC001651460564 1079812308 /nfs/dbraw/zinc/81/23/08/1079812308.db2.gz RQDUBEZSMYCXIH-UHFFFAOYSA-N 1 2 318.259 2.245 20 5 DEBDLO CCc1[nH]cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[nH+]1 ZINC001651460564 1079812317 /nfs/dbraw/zinc/81/23/17/1079812317.db2.gz RQDUBEZSMYCXIH-UHFFFAOYSA-N 1 2 318.259 2.245 20 5 DEBDLO Cc1nc(C)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001655318066 1079993386 /nfs/dbraw/zinc/99/33/86/1079993386.db2.gz PWYREWHBKGXORY-OAHLLOKOSA-N 1 2 305.334 2.197 20 5 DEBDLO Cc1nc(C)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001655318065 1079993821 /nfs/dbraw/zinc/99/38/21/1079993821.db2.gz PWYREWHBKGXORY-HNNXBMFYSA-N 1 2 305.334 2.197 20 5 DEBDLO Cc1nn(CCO)c(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001323290677 1141838208 /nfs/dbraw/zinc/83/82/08/1141838208.db2.gz GBWMTSQZJYKLEZ-UHFFFAOYSA-N 1 2 318.377 2.032 20 5 DEBDLO Cc1nn(CCO)c(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001323290677 1141838209 /nfs/dbraw/zinc/83/82/09/1141838209.db2.gz GBWMTSQZJYKLEZ-UHFFFAOYSA-N 1 2 318.377 2.032 20 5 DEBDLO CCOC(=O)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001254581098 1143265618 /nfs/dbraw/zinc/26/56/18/1143265618.db2.gz IUIYMZBRAFFCRA-ZFWWWQNUSA-N 1 2 306.362 2.239 20 5 DEBDLO O=[N+]([O-])c1cc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Cl ZINC001325390289 1147899098 /nfs/dbraw/zinc/89/90/98/1147899098.db2.gz BPJAHXISIWVNHF-TXEJJXNPSA-N 1 2 312.753 2.490 20 5 DEBDLO O=[N+]([O-])c1cc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Cl ZINC001325390289 1147899100 /nfs/dbraw/zinc/89/91/00/1147899100.db2.gz BPJAHXISIWVNHF-TXEJJXNPSA-N 1 2 312.753 2.490 20 5 DEBDLO CCc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000081800395 192326329 /nfs/dbraw/zinc/32/63/29/192326329.db2.gz UQNMUVLQMCNMFX-LBPRGKRZSA-N 1 2 316.361 2.420 20 5 DEBDLO CN(CC1CC1)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153225841 282165000 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DEBDLO C[C@H]1C[NH+]=C(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)S1 ZINC000287344864 290932678 /nfs/dbraw/zinc/93/26/78/290932678.db2.gz PCXSXDGIOHDWQE-JTQLQIEISA-N 1 2 324.381 2.347 20 5 DEBDLO COc1ccc(OCC[N@H+](C)Cc2cc(C)on2)c([N+](=O)[O-])c1 ZINC000173519670 198223121 /nfs/dbraw/zinc/22/31/21/198223121.db2.gz KAISUFOGPMCXCM-UHFFFAOYSA-N 1 2 321.333 2.411 20 5 DEBDLO COc1ccc(OCC[N@@H+](C)Cc2cc(C)on2)c([N+](=O)[O-])c1 ZINC000173519670 198223124 /nfs/dbraw/zinc/22/31/24/198223124.db2.gz KAISUFOGPMCXCM-UHFFFAOYSA-N 1 2 321.333 2.411 20 5 DEBDLO CC(=O)N1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182085496 199384299 /nfs/dbraw/zinc/38/42/99/199384299.db2.gz XKRYRZTWGGVDJQ-UHFFFAOYSA-N 1 2 305.378 2.346 20 5 DEBDLO CC(=O)N1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182085496 199384300 /nfs/dbraw/zinc/38/43/00/199384300.db2.gz XKRYRZTWGGVDJQ-UHFFFAOYSA-N 1 2 305.378 2.346 20 5 DEBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595551872 358481359 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305.313 2.150 20 5 DEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000026481268 354083738 /nfs/dbraw/zinc/08/37/38/354083738.db2.gz IQBIVCSSCPSUPE-UHFFFAOYSA-N 1 2 316.336 2.451 20 5 DEBDLO C[C@@H]1C[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032393067 354148018 /nfs/dbraw/zinc/14/80/18/354148018.db2.gz OKLVYVUAAAFTTR-ZYHUDNBSSA-N 1 2 300.318 2.166 20 5 DEBDLO O=C(NCCCCn1cc[nH+]c1)NCc1ccccc1[N+](=O)[O-] ZINC000057376715 354567333 /nfs/dbraw/zinc/56/73/33/354567333.db2.gz UANSZUQVDUGNEZ-UHFFFAOYSA-N 1 2 317.349 2.071 20 5 DEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000065297025 354682902 /nfs/dbraw/zinc/68/29/02/354682902.db2.gz BZXLRSJYZPIBHS-LBPRGKRZSA-N 1 2 311.407 2.489 20 5 DEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000065297025 354682904 /nfs/dbraw/zinc/68/29/04/354682904.db2.gz BZXLRSJYZPIBHS-LBPRGKRZSA-N 1 2 311.407 2.489 20 5 DEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000065952740 354695444 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CC(C)c1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000092042016 355616655 /nfs/dbraw/zinc/61/66/55/355616655.db2.gz ZFXHCUVKBSESPO-OCCSQVGLSA-N 1 2 308.378 2.300 20 5 DEBDLO C[C@H](C(=O)NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000184723715 356197408 /nfs/dbraw/zinc/19/74/08/356197408.db2.gz KYVZQBNGHBUERW-NSHDSACASA-N 1 2 320.324 2.240 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000255918369 356338756 /nfs/dbraw/zinc/33/87/56/356338756.db2.gz OOHSKNDMWWMNRI-VNYDODJDSA-N 1 2 318.373 2.488 20 5 DEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000255918369 356338757 /nfs/dbraw/zinc/33/87/57/356338757.db2.gz OOHSKNDMWWMNRI-VNYDODJDSA-N 1 2 318.373 2.488 20 5 DEBDLO Cn1ccnc1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000271031450 356353401 /nfs/dbraw/zinc/35/34/01/356353401.db2.gz QKLABCRAIVXHBB-UHFFFAOYSA-N 1 2 304.350 2.229 20 5 DEBDLO Cn1ccnc1C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000271031450 356353403 /nfs/dbraw/zinc/35/34/03/356353403.db2.gz QKLABCRAIVXHBB-UHFFFAOYSA-N 1 2 304.350 2.229 20 5 DEBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCC[NH+]1CCOCC1 ZINC000314071487 356415171 /nfs/dbraw/zinc/41/51/71/356415171.db2.gz FGAKVVSXSZTRFG-UHFFFAOYSA-N 1 2 301.293 2.277 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276914405 213171803 /nfs/dbraw/zinc/17/18/03/213171803.db2.gz NXLWOGJORNHTSO-GFCCVEGCSA-N 1 2 321.377 2.046 20 5 DEBDLO CCOc1cc(C[N@H+]2CCN(C(C)=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276914405 213171806 /nfs/dbraw/zinc/17/18/06/213171806.db2.gz NXLWOGJORNHTSO-GFCCVEGCSA-N 1 2 321.377 2.046 20 5 DEBDLO CCOc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000276857717 213136375 /nfs/dbraw/zinc/13/63/75/213136375.db2.gz FVKDWFHZWDGAKK-INIZCTEOSA-N 1 2 320.345 2.275 20 5 DEBDLO CCOc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000276857717 213136376 /nfs/dbraw/zinc/13/63/76/213136376.db2.gz FVKDWFHZWDGAKK-INIZCTEOSA-N 1 2 320.345 2.275 20 5 DEBDLO CC(C)(CO)[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000590080201 357516889 /nfs/dbraw/zinc/51/68/89/357516889.db2.gz STJKQKLYOKMMEH-UHFFFAOYSA-N 1 2 313.785 2.141 20 5 DEBDLO CNC(=O)[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179334278 199017888 /nfs/dbraw/zinc/01/78/88/199017888.db2.gz WDWJAWFXQDEURE-PMGBHYCQSA-N 1 2 303.362 2.209 20 5 DEBDLO CNC(=O)[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179334278 199017890 /nfs/dbraw/zinc/01/78/90/199017890.db2.gz WDWJAWFXQDEURE-PMGBHYCQSA-N 1 2 303.362 2.209 20 5 DEBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000276658822 213028661 /nfs/dbraw/zinc/02/86/61/213028661.db2.gz WRBLEUKRXXZWMB-UWVGGRQHSA-N 1 2 302.338 2.328 20 5 DEBDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594513927 358286851 /nfs/dbraw/zinc/28/68/51/358286851.db2.gz VCVLTFFHYJXVKV-ZWNOBZJWSA-N 1 2 317.349 2.415 20 5 DEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595346084 358426530 /nfs/dbraw/zinc/42/65/30/358426530.db2.gz VEWSVDDAKZBDIO-LBPRGKRZSA-N 1 2 305.338 2.270 20 5 DEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595346084 358426533 /nfs/dbraw/zinc/42/65/33/358426533.db2.gz VEWSVDDAKZBDIO-LBPRGKRZSA-N 1 2 305.338 2.270 20 5 DEBDLO CO[C@@]1(C)C[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596538261 358708789 /nfs/dbraw/zinc/70/87/89/358708789.db2.gz BQXXWYCQGRYJBA-CJNGLKHVSA-N 1 2 314.345 2.371 20 5 DEBDLO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459912 359206968 /nfs/dbraw/zinc/20/69/68/359206968.db2.gz PBTZXOQRLYLFCA-NSHDSACASA-N 1 2 316.361 2.483 20 5 DEBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000599703236 359580032 /nfs/dbraw/zinc/58/00/32/359580032.db2.gz NXKWTJCYNCNIOP-CQSZACIVSA-N 1 2 309.341 2.225 20 5 DEBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000599703236 359580035 /nfs/dbraw/zinc/58/00/35/359580035.db2.gz NXKWTJCYNCNIOP-CQSZACIVSA-N 1 2 309.341 2.225 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683258 360497132 /nfs/dbraw/zinc/49/71/32/360497132.db2.gz UWWAEHDIQIJLDY-HZGVNTEJSA-N 1 2 321.196 2.374 20 5 DEBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683258 360497134 /nfs/dbraw/zinc/49/71/34/360497134.db2.gz UWWAEHDIQIJLDY-HZGVNTEJSA-N 1 2 321.196 2.374 20 5 DEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603252629 360767240 /nfs/dbraw/zinc/76/72/40/360767240.db2.gz WRDJYMQQSIGKQH-LBPRGKRZSA-N 1 2 312.333 2.349 20 5 DEBDLO O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1CC[NH+]1CCCCC1 ZINC000603921288 360874157 /nfs/dbraw/zinc/87/41/57/360874157.db2.gz PIJJYEBUCGCMPB-UHFFFAOYSA-N 1 2 316.361 2.017 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610762788 361462285 /nfs/dbraw/zinc/46/22/85/361462285.db2.gz VTAHHOBPCNYUBN-MISXGVKJSA-N 1 2 319.361 2.415 20 5 DEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610762788 361462288 /nfs/dbraw/zinc/46/22/88/361462288.db2.gz VTAHHOBPCNYUBN-MISXGVKJSA-N 1 2 319.361 2.415 20 5 DEBDLO CCNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611262393 361565364 /nfs/dbraw/zinc/56/53/64/361565364.db2.gz ZWBVBXLPPMORPM-UHFFFAOYSA-N 1 2 317.345 2.423 20 5 DEBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611262393 361565369 /nfs/dbraw/zinc/56/53/69/361565369.db2.gz ZWBVBXLPPMORPM-UHFFFAOYSA-N 1 2 317.345 2.423 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611268064 361567306 /nfs/dbraw/zinc/56/73/06/361567306.db2.gz CJVZFZUDOSINFJ-CYBMUJFWSA-N 1 2 302.334 2.334 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611268064 361567308 /nfs/dbraw/zinc/56/73/08/361567308.db2.gz CJVZFZUDOSINFJ-CYBMUJFWSA-N 1 2 302.334 2.334 20 5 DEBDLO Cn1cc[nH+]c1[C@H](NCc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000611560925 361632481 /nfs/dbraw/zinc/63/24/81/361632481.db2.gz MBMPLZPXKBJEOF-CQSZACIVSA-N 1 2 313.317 2.196 20 5 DEBDLO COc1cc(Oc2cc(-n3cc[nH+]c3)ncn2)ccc1[N+](=O)[O-] ZINC000619500704 363812223 /nfs/dbraw/zinc/81/22/23/363812223.db2.gz APTWTUMQVBEJAV-UHFFFAOYSA-N 1 2 313.273 2.371 20 5 DEBDLO COc1c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456350132 247112222 /nfs/dbraw/zinc/11/22/22/247112222.db2.gz AJNLUCVPQDIRQV-GXSJLCMTSA-N 1 2 316.317 2.236 20 5 DEBDLO CCc1c[nH+]ccc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000532057662 284646511 /nfs/dbraw/zinc/64/65/11/284646511.db2.gz JPMZJZLQFYKEQN-UHFFFAOYSA-N 1 2 315.329 2.164 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492944825 249177989 /nfs/dbraw/zinc/17/79/89/249177989.db2.gz ZDSMMUWEVUXNNG-SREVYHEPSA-N 1 2 313.313 2.328 20 5 DEBDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285104960 218291822 /nfs/dbraw/zinc/29/18/22/218291822.db2.gz KNDYGIIVOMTHJE-JTQLQIEISA-N 1 2 318.381 2.374 20 5 DEBDLO O=C1CCCN1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000355346922 284787987 /nfs/dbraw/zinc/78/79/87/284787987.db2.gz UXSMHPUUKOBRKX-UHFFFAOYSA-N 1 2 321.352 2.321 20 5 DEBDLO CNC(=O)c1ccc(NCCc2cc[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000269995714 208050862 /nfs/dbraw/zinc/05/08/62/208050862.db2.gz QGTWYKIJWBEORU-UHFFFAOYSA-N 1 2 314.345 2.312 20 5 DEBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000541051755 285152755 /nfs/dbraw/zinc/15/27/55/285152755.db2.gz NAEUZQONBRRWLS-AWEZNQCLSA-N 1 2 302.330 2.427 20 5 DEBDLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541727482 285182818 /nfs/dbraw/zinc/18/28/18/285182818.db2.gz YEBZLIRHZFIBTE-SNVBAGLBSA-N 1 2 318.308 2.117 20 5 DEBDLO CO[C@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000413242900 533381902 /nfs/dbraw/zinc/38/19/02/533381902.db2.gz YDEGQEAGKULCPW-HNNXBMFYSA-N 1 2 303.318 2.360 20 5 DEBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC000340213561 131199319 /nfs/dbraw/zinc/19/93/19/131199319.db2.gz ANQFZCRXRJODJC-VIFPVBQESA-N 1 2 322.296 2.202 20 5 DEBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC000340213561 131199320 /nfs/dbraw/zinc/19/93/20/131199320.db2.gz ANQFZCRXRJODJC-VIFPVBQESA-N 1 2 322.296 2.202 20 5 DEBDLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC000340213561 131199322 /nfs/dbraw/zinc/19/93/22/131199322.db2.gz ANQFZCRXRJODJC-VIFPVBQESA-N 1 2 322.296 2.202 20 5 DEBDLO O=C1N=NC([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC000340213561 131199324 /nfs/dbraw/zinc/19/93/24/131199324.db2.gz ANQFZCRXRJODJC-VIFPVBQESA-N 1 2 322.296 2.202 20 5 DEBDLO CC[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000547750172 285631965 /nfs/dbraw/zinc/63/19/65/285631965.db2.gz JNKWUPLYGSJMDI-LLVKDONJSA-N 1 2 318.333 2.137 20 5 DEBDLO CC(C)OC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372160148 148176072 /nfs/dbraw/zinc/17/60/72/148176072.db2.gz JFBPTKDHFSRGCW-INIZCTEOSA-N 1 2 324.377 2.099 20 5 DEBDLO CC(C)OC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372160148 148176073 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/nfs/dbraw/zinc/17/86/03/406178603.db2.gz MNHJLIKKEGQWPR-UHFFFAOYSA-N 1 2 301.302 2.046 20 5 DEBDLO C[C@@H]1CCCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000520332898 406283426 /nfs/dbraw/zinc/28/34/26/406283426.db2.gz JXAOSNYRYNVYAV-CYBMUJFWSA-N 1 2 305.378 2.416 20 5 DEBDLO Cc1ncc2c(n1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000520843777 406320766 /nfs/dbraw/zinc/32/07/66/406320766.db2.gz FZPKELYGJODRAO-UHFFFAOYSA-N 1 2 314.345 2.130 20 5 DEBDLO Cc1ncc2c(n1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000520843777 406320769 /nfs/dbraw/zinc/32/07/69/406320769.db2.gz FZPKELYGJODRAO-UHFFFAOYSA-N 1 2 314.345 2.130 20 5 DEBDLO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000545906919 406333340 /nfs/dbraw/zinc/33/33/40/406333340.db2.gz MNOQYLZIUZGARE-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC(n2cc[nH+]c2)C1 ZINC000522259146 406402645 /nfs/dbraw/zinc/40/26/45/406402645.db2.gz RIQATZPHDPKMTC-UHFFFAOYSA-N 1 2 312.285 2.235 20 5 DEBDLO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000290962202 222032607 /nfs/dbraw/zinc/03/26/07/222032607.db2.gz QDDBKNVYUBUDGJ-NSHDSACASA-N 1 2 309.366 2.151 20 5 DEBDLO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000290962202 222032609 /nfs/dbraw/zinc/03/26/09/222032609.db2.gz QDDBKNVYUBUDGJ-NSHDSACASA-N 1 2 309.366 2.151 20 5 DEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299624909 229274788 /nfs/dbraw/zinc/27/47/88/229274788.db2.gz FKMCSDWBNBJGMG-UHFFFAOYSA-N 1 2 318.308 2.477 20 5 DEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCOCC1 ZINC000363437218 269060796 /nfs/dbraw/zinc/06/07/96/269060796.db2.gz VLYMIAZQTFZYJE-NSHDSACASA-N 1 2 318.333 2.428 20 5 DEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCOCC1 ZINC000363437218 269060798 /nfs/dbraw/zinc/06/07/98/269060798.db2.gz VLYMIAZQTFZYJE-NSHDSACASA-N 1 2 318.333 2.428 20 5 DEBDLO CC(C)(C)N1CC[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000425428785 277155051 /nfs/dbraw/zinc/15/50/51/277155051.db2.gz XUMPBUJAKUWPSO-HNNXBMFYSA-N 1 2 317.389 2.352 20 5 DEBDLO CC(C)(C)N1CC[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000425428785 277155052 /nfs/dbraw/zinc/15/50/52/277155052.db2.gz XUMPBUJAKUWPSO-HNNXBMFYSA-N 1 2 317.389 2.352 20 5 DEBDLO Cn1cnc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000278966388 279383686 /nfs/dbraw/zinc/38/36/86/279383686.db2.gz BSXROJONSZTMRR-ZDUSSCGKSA-N 1 2 301.350 2.236 20 5 DEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000134499270 282044208 /nfs/dbraw/zinc/04/42/08/282044208.db2.gz PVXQJHHWKPLJSE-UHFFFAOYSA-N 1 2 306.347 2.012 20 5 DEBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000281884198 288743112 /nfs/dbraw/zinc/74/31/12/288743112.db2.gz CZYPFFYOJDNBTB-GFCCVEGCSA-N 1 2 302.338 2.333 20 5 DEBDLO Cc1ccn(Cc2c[nH+]cn2Cc2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000445610635 534343847 /nfs/dbraw/zinc/34/38/47/534343847.db2.gz PSRSNAMFPPTNLJ-UHFFFAOYSA-N 1 2 324.340 2.358 20 5 DEBDLO COC(=O)N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492696613 536428917 /nfs/dbraw/zinc/42/89/17/536428917.db2.gz PEOBLXHLNACKJX-JLHYYAGUSA-N 1 2 319.361 2.382 20 5 DEBDLO CC[N@@H+]1CCO[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000417282521 527732016 /nfs/dbraw/zinc/73/20/16/527732016.db2.gz PSZNKLOHMRMCPM-GFCCVEGCSA-N 1 2 304.306 2.038 20 5 DEBDLO CC[N@H+]1CCO[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000417282521 527732018 /nfs/dbraw/zinc/73/20/18/527732018.db2.gz PSZNKLOHMRMCPM-GFCCVEGCSA-N 1 2 304.306 2.038 20 5 DEBDLO CCN1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413314637 527952142 /nfs/dbraw/zinc/95/21/42/527952142.db2.gz JLMAHYIDUIPJSF-NSHDSACASA-N 1 2 300.318 2.176 20 5 DEBDLO CCN1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413314636 527993401 /nfs/dbraw/zinc/99/34/01/527993401.db2.gz JLMAHYIDUIPJSF-LLVKDONJSA-N 1 2 300.318 2.176 20 5 DEBDLO CC(C)c1ccc(C[NH2+]Cc2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000190009842 528100607 /nfs/dbraw/zinc/10/06/07/528100607.db2.gz NRXXFYNWLDLKDB-UHFFFAOYSA-N 1 2 319.365 2.457 20 5 DEBDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1sccc1[N+](=O)[O-] ZINC000611414518 624893846 /nfs/dbraw/zinc/89/38/46/624893846.db2.gz DEVYGRZHFRGHEH-UHFFFAOYSA-N 1 2 313.423 2.451 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1 ZINC000923009628 636910059 /nfs/dbraw/zinc/91/00/59/636910059.db2.gz WCDIRGULGOXUAH-UHFFFAOYSA-N 1 2 314.345 2.180 20 5 DEBDLO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029182938 637314179 /nfs/dbraw/zinc/31/41/79/637314179.db2.gz ZQSNVVLIZQKLKJ-GASCZTMLSA-N 1 2 315.373 2.180 20 5 DEBDLO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029182938 637314186 /nfs/dbraw/zinc/31/41/86/637314186.db2.gz ZQSNVVLIZQKLKJ-GASCZTMLSA-N 1 2 315.373 2.180 20 5 DEBDLO O=[N+]([O-])c1c(N[C@H]2CCN(c3cccc[nH+]3)C2)nc2ccccn21 ZINC000753821010 639345946 /nfs/dbraw/zinc/34/59/46/639345946.db2.gz WLCPCPQLSTYNFQ-LBPRGKRZSA-N 1 2 324.344 2.328 20 5 DEBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000841693776 650542912 /nfs/dbraw/zinc/54/29/12/650542912.db2.gz VMMFBBSSEGISCF-HRDYMLBCSA-N 1 2 317.187 2.488 20 5 DEBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000841693776 650542914 /nfs/dbraw/zinc/54/29/14/650542914.db2.gz VMMFBBSSEGISCF-HRDYMLBCSA-N 1 2 317.187 2.488 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000759752326 640113263 /nfs/dbraw/zinc/11/32/63/640113263.db2.gz SMGUOGUKOCBLNE-UHFFFAOYSA-N 1 2 314.345 2.270 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000897683576 640902149 /nfs/dbraw/zinc/90/21/49/640902149.db2.gz FAMBEFAMQXOMRW-KCJUWKMLSA-N 1 2 302.277 2.009 20 5 DEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000897683576 640902152 /nfs/dbraw/zinc/90/21/52/640902152.db2.gz FAMBEFAMQXOMRW-KCJUWKMLSA-N 1 2 302.277 2.009 20 5 DEBDLO CC[C@@H]1C(=O)NCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000898541439 641698527 /nfs/dbraw/zinc/69/85/27/641698527.db2.gz KQSORWRNCGQZDY-BMWLXYDHSA-N 1 2 303.362 2.209 20 5 DEBDLO CC[C@@H]1C(=O)NCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000898541439 641698532 /nfs/dbraw/zinc/69/85/32/641698532.db2.gz KQSORWRNCGQZDY-BMWLXYDHSA-N 1 2 303.362 2.209 20 5 DEBDLO C/C(=C\C(=O)NCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000773823183 641827673 /nfs/dbraw/zinc/82/76/73/641827673.db2.gz IQTZABOZDRJERW-FMIVXFBMSA-N 1 2 314.345 2.091 20 5 DEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000776275970 642151918 /nfs/dbraw/zinc/15/19/18/642151918.db2.gz JEFVFFXXUIIKEZ-CZUORRHYSA-N 1 2 316.361 2.231 20 5 DEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000776275970 642151921 /nfs/dbraw/zinc/15/19/21/642151921.db2.gz JEFVFFXXUIIKEZ-CZUORRHYSA-N 1 2 316.361 2.231 20 5 DEBDLO C[C@@H](O)C[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000776520948 642180633 /nfs/dbraw/zinc/18/06/33/642180633.db2.gz JRBUMNORKJJFNQ-MRVPVSSYSA-N 1 2 303.156 2.170 20 5 DEBDLO C[C@@H](O)C[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000776520948 642180635 /nfs/dbraw/zinc/18/06/35/642180635.db2.gz JRBUMNORKJJFNQ-MRVPVSSYSA-N 1 2 303.156 2.170 20 5 DEBDLO CCOC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776586195 642188494 /nfs/dbraw/zinc/18/84/94/642188494.db2.gz KJKAQSMKNHGTSS-CQSZACIVSA-N 1 2 324.377 2.292 20 5 DEBDLO CCOC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776586195 642188499 /nfs/dbraw/zinc/18/84/99/642188499.db2.gz KJKAQSMKNHGTSS-CQSZACIVSA-N 1 2 324.377 2.292 20 5 DEBDLO CSc1cccc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000777074111 642231951 /nfs/dbraw/zinc/23/19/51/642231951.db2.gz HWUVNOCNSXGGQU-UHFFFAOYSA-N 1 2 307.331 2.370 20 5 DEBDLO C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000842615252 650782432 /nfs/dbraw/zinc/78/24/32/650782432.db2.gz NCWLBEZCAAVSKU-RYUDHWBXSA-N 1 2 324.381 2.049 20 5 DEBDLO C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000842615252 650782433 /nfs/dbraw/zinc/78/24/33/650782433.db2.gz NCWLBEZCAAVSKU-RYUDHWBXSA-N 1 2 324.381 2.049 20 5 DEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000783064131 642958819 /nfs/dbraw/zinc/95/88/19/642958819.db2.gz ZOQKAJALXBKCCL-UHFFFAOYSA-N 1 2 319.317 2.194 20 5 DEBDLO Nc1ccc(CCC(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c[nH+]1 ZINC000784364147 643130266 /nfs/dbraw/zinc/13/02/66/643130266.db2.gz LTQNLSKBYRHEFV-UHFFFAOYSA-N 1 2 319.292 2.387 20 5 DEBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152256496 647129843 /nfs/dbraw/zinc/12/98/43/647129843.db2.gz FSRIATRFQGZBRK-UHFFFAOYSA-N 1 2 314.407 2.240 20 5 DEBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152256496 647129844 /nfs/dbraw/zinc/12/98/44/647129844.db2.gz FSRIATRFQGZBRK-UHFFFAOYSA-N 1 2 314.407 2.240 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000817733314 647351752 /nfs/dbraw/zinc/35/17/52/647351752.db2.gz ZHMKIGKAWNDVLC-LBPRGKRZSA-N 1 2 310.325 2.412 20 5 DEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000817733314 647351754 /nfs/dbraw/zinc/35/17/54/647351754.db2.gz ZHMKIGKAWNDVLC-LBPRGKRZSA-N 1 2 310.325 2.412 20 5 DEBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000920767198 648254520 /nfs/dbraw/zinc/25/45/20/648254520.db2.gz BINRVXTUTMGKKI-LLVKDONJSA-N 1 2 306.322 2.229 20 5 DEBDLO COc1c(C)c[nH+]c(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1C ZINC000822888362 648311052 /nfs/dbraw/zinc/31/10/52/648311052.db2.gz QPYHJEFXTYFBON-UHFFFAOYSA-N 1 2 309.366 2.159 20 5 DEBDLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000846112158 651308293 /nfs/dbraw/zinc/30/82/93/651308293.db2.gz PTMMJFYFWPWGTF-AOOOYVTPSA-N 1 2 314.288 2.309 20 5 DEBDLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000846112158 651308295 /nfs/dbraw/zinc/30/82/95/651308295.db2.gz PTMMJFYFWPWGTF-AOOOYVTPSA-N 1 2 314.288 2.309 20 5 DEBDLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000847057624 651372367 /nfs/dbraw/zinc/37/23/67/651372367.db2.gz OXWSNZSOUUDLMU-TVQRCGJNSA-N 1 2 306.322 2.013 20 5 DEBDLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000847057624 651372369 /nfs/dbraw/zinc/37/23/69/651372369.db2.gz OXWSNZSOUUDLMU-TVQRCGJNSA-N 1 2 306.322 2.013 20 5 DEBDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1[N+](=O)[O-] ZINC000858045156 652242655 /nfs/dbraw/zinc/24/26/55/652242655.db2.gz PBTMLXIJUQVRQZ-GFCCVEGCSA-N 1 2 318.333 2.248 20 5 DEBDLO Cc1noc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1[N+](=O)[O-] ZINC000858045156 652242659 /nfs/dbraw/zinc/24/26/59/652242659.db2.gz PBTMLXIJUQVRQZ-GFCCVEGCSA-N 1 2 318.333 2.248 20 5 DEBDLO O=C1OCCN1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000852722380 652444417 /nfs/dbraw/zinc/44/44/17/652444417.db2.gz DVRZIKWKVBXBJR-UHFFFAOYSA-N 1 2 311.363 2.073 20 5 DEBDLO C[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929707510 694010320 /nfs/dbraw/zinc/01/03/20/694010320.db2.gz XAQMYAAVLIUTCQ-QMMMGPOBSA-N 1 2 303.156 2.170 20 5 DEBDLO C[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929707510 694010325 /nfs/dbraw/zinc/01/03/25/694010325.db2.gz XAQMYAAVLIUTCQ-QMMMGPOBSA-N 1 2 303.156 2.170 20 5 DEBDLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930124973 694095838 /nfs/dbraw/zinc/09/58/38/694095838.db2.gz LPTWVXICHYTTIC-DTWKUNHWSA-N 1 2 315.167 2.312 20 5 DEBDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930124973 694095842 /nfs/dbraw/zinc/09/58/42/694095842.db2.gz LPTWVXICHYTTIC-DTWKUNHWSA-N 1 2 315.167 2.312 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928235 687381952 /nfs/dbraw/zinc/38/19/52/687381952.db2.gz UPRMTIQHWXHWTQ-SNVBAGLBSA-N 1 2 302.737 2.489 20 5 DEBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928235 687381955 /nfs/dbraw/zinc/38/19/55/687381955.db2.gz UPRMTIQHWXHWTQ-SNVBAGLBSA-N 1 2 302.737 2.489 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nncn1C ZINC000872020139 688914355 /nfs/dbraw/zinc/91/43/55/688914355.db2.gz DJEMFQCFEJACQZ-VIFPVBQESA-N 1 2 307.379 2.296 20 5 DEBDLO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035809 688917042 /nfs/dbraw/zinc/91/70/42/688917042.db2.gz ZBCCAIZZQNOGRV-OLZOCXBDSA-N 1 2 324.400 2.020 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000876575962 689862726 /nfs/dbraw/zinc/86/27/26/689862726.db2.gz ZPSPABJIPHEBLG-UHFFFAOYSA-N 1 2 320.393 2.011 20 5 DEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(F)CC1 ZINC000881605621 691131144 /nfs/dbraw/zinc/13/11/44/691131144.db2.gz QAKNLRSEQDTQSW-UHFFFAOYSA-N 1 2 318.308 2.355 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932346383 694597373 /nfs/dbraw/zinc/59/73/73/694597373.db2.gz OFYVEDHSADTTTD-RYUDHWBXSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932346383 694597375 /nfs/dbraw/zinc/59/73/75/694597375.db2.gz OFYVEDHSADTTTD-RYUDHWBXSA-N 1 2 307.350 2.033 20 5 DEBDLO Cc1c(Cc2noc(C3([NH+](C)C)CC3)n2)cccc1[N+](=O)[O-] ZINC001333735987 1150085244 /nfs/dbraw/zinc/08/52/44/1150085244.db2.gz OYOPKGYVGPVFNP-UHFFFAOYSA-N 1 2 302.334 2.428 20 5 DEBDLO Cc1cnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC001347191076 1151047493 /nfs/dbraw/zinc/04/74/93/1151047493.db2.gz DGWKTGZDIHXQBZ-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO Nc1cc(CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)cc[nH+]1 ZINC001167614489 777393068 /nfs/dbraw/zinc/39/30/68/777393068.db2.gz SOJUIKODCRZAAK-UHFFFAOYSA-N 1 2 314.280 2.266 20 5 DEBDLO C[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001333540893 1150062270 /nfs/dbraw/zinc/06/22/70/1150062270.db2.gz NADUWRSRLWCCIV-NEPJUHHUSA-N 1 2 302.334 2.272 20 5 DEBDLO Cc1cn(C[N@H+]2CCC[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000173520010 778282709 /nfs/dbraw/zinc/28/27/09/778282709.db2.gz XTOBXQYPEZGAGI-LBPRGKRZSA-N 1 2 316.361 2.297 20 5 DEBDLO Cc1cn(C[N@@H+]2CCC[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000173520010 778282713 /nfs/dbraw/zinc/28/27/13/778282713.db2.gz XTOBXQYPEZGAGI-LBPRGKRZSA-N 1 2 316.361 2.297 20 5 DEBDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001155198015 784357519 /nfs/dbraw/zinc/35/75/19/784357519.db2.gz ZUZGZVZWICJNIH-SSDOTTSWSA-N 1 2 321.164 2.039 20 5 DEBDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001155198015 784357524 /nfs/dbraw/zinc/35/75/24/784357524.db2.gz ZUZGZVZWICJNIH-SSDOTTSWSA-N 1 2 321.164 2.039 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001333844785 1150099115 /nfs/dbraw/zinc/09/91/15/1150099115.db2.gz OLOKMWRXDQMOSU-ONGXEEELSA-N 1 2 304.272 2.413 20 5 DEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001333844785 1150099117 /nfs/dbraw/zinc/09/91/17/1150099117.db2.gz OLOKMWRXDQMOSU-ONGXEEELSA-N 1 2 304.272 2.413 20 5 DEBDLO CC(C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072486177 790156387 /nfs/dbraw/zinc/15/63/87/790156387.db2.gz YBBMIPDGQRFCIC-UHFFFAOYSA-N 1 2 323.418 2.347 20 5 DEBDLO CC(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072486177 790156390 /nfs/dbraw/zinc/15/63/90/790156390.db2.gz YBBMIPDGQRFCIC-UHFFFAOYSA-N 1 2 323.418 2.347 20 5 DEBDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001175183559 794157211 /nfs/dbraw/zinc/15/72/11/794157211.db2.gz JYORRBXVHSYCMO-NSHDSACASA-N 1 2 317.349 2.085 20 5 DEBDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001175183559 794157215 /nfs/dbraw/zinc/15/72/15/794157215.db2.gz JYORRBXVHSYCMO-NSHDSACASA-N 1 2 317.349 2.085 20 5 DEBDLO Cc1cncc([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC001116729006 794981463 /nfs/dbraw/zinc/98/14/63/794981463.db2.gz GCUQSDIOZPCQBX-UHFFFAOYSA-N 1 2 301.350 2.419 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001119336768 795290667 /nfs/dbraw/zinc/29/06/67/795290667.db2.gz UWQHGUQGZITTDG-ONGXEEELSA-N 1 2 304.272 2.413 20 5 DEBDLO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001119336768 795290671 /nfs/dbraw/zinc/29/06/71/795290671.db2.gz UWQHGUQGZITTDG-ONGXEEELSA-N 1 2 304.272 2.413 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001119809528 795358196 /nfs/dbraw/zinc/35/81/96/795358196.db2.gz BLWJLQZXCVROGL-LLVKDONJSA-N 1 2 320.324 2.068 20 5 DEBDLO CCc1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]c1 ZINC001120798012 795532495 /nfs/dbraw/zinc/53/24/95/795532495.db2.gz JWRZIZFQCZIFCC-UHFFFAOYSA-N 1 2 313.361 2.274 20 5 DEBDLO COc1cccc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1[N+](=O)[O-] ZINC001157125616 798146738 /nfs/dbraw/zinc/14/67/38/798146738.db2.gz XBCJTKVUNWKAFO-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO COc1cccc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1[N+](=O)[O-] ZINC001157125616 798146743 /nfs/dbraw/zinc/14/67/43/798146743.db2.gz XBCJTKVUNWKAFO-UHFFFAOYSA-N 1 2 318.333 2.380 20 5 DEBDLO CCN(C1C[NH+](C)C1)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001157455514 798208608 /nfs/dbraw/zinc/20/86/08/798208608.db2.gz NKRQHHNYFHASTK-UHFFFAOYSA-N 1 2 320.727 2.328 20 5 DEBDLO COc1cc(NCCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC001158144511 798350082 /nfs/dbraw/zinc/35/00/82/798350082.db2.gz FLKLJTCZTMBKCS-UHFFFAOYSA-N 1 2 313.317 2.301 20 5 DEBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1c[nH+]cn1CC1CCC1 ZINC001161533104 798877927 /nfs/dbraw/zinc/87/79/27/798877927.db2.gz GPEORFHEXXDALT-UHFFFAOYSA-N 1 2 317.349 2.145 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001163061923 799235585 /nfs/dbraw/zinc/23/55/85/799235585.db2.gz CLOPENLHTBCKRK-NXEZZACHSA-N 1 2 301.306 2.102 20 5 DEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001163061923 799235588 /nfs/dbraw/zinc/23/55/88/799235588.db2.gz CLOPENLHTBCKRK-NXEZZACHSA-N 1 2 301.306 2.102 20 5 DEBDLO C[C@H](C[NH+]1CCOCC1)Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229006350 801207890 /nfs/dbraw/zinc/20/78/90/801207890.db2.gz XSCAWWJTCRKZJC-GFCCVEGCSA-N 1 2 317.345 2.243 20 5 DEBDLO CC[NH+]1CC(Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504703 802974936 /nfs/dbraw/zinc/97/49/36/802974936.db2.gz ZDAYIGKOTBISQN-UHFFFAOYSA-N 1 2 301.140 2.440 20 5 DEBDLO C[N@@H+]1CCO[C@@H](COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225953752 803034558 /nfs/dbraw/zinc/03/45/58/803034558.db2.gz OBTVXCLOUBXNIC-SNVBAGLBSA-N 1 2 320.267 2.323 20 5 DEBDLO C[N@H+]1CCO[C@@H](COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225953752 803034566 /nfs/dbraw/zinc/03/45/66/803034566.db2.gz OBTVXCLOUBXNIC-SNVBAGLBSA-N 1 2 320.267 2.323 20 5 DEBDLO COC(=O)Cc1ccc(OC2C[NH+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001226214016 803072978 /nfs/dbraw/zinc/07/29/78/803072978.db2.gz JHHFGOIOZONRKJ-UHFFFAOYSA-N 1 2 322.361 2.172 20 5 DEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H](CF)C1 ZINC001331021165 1149361638 /nfs/dbraw/zinc/36/16/38/1149361638.db2.gz ISYUDJAPSRYIHB-SNVBAGLBSA-N 1 2 309.297 2.142 20 5 DEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H](CF)C1 ZINC001331021165 1149361644 /nfs/dbraw/zinc/36/16/44/1149361644.db2.gz ISYUDJAPSRYIHB-SNVBAGLBSA-N 1 2 309.297 2.142 20 5 DEBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1Cl ZINC001454148809 1057447824 /nfs/dbraw/zinc/44/78/24/1057447824.db2.gz FWSAHOILXUUEFP-NSHDSACASA-N 1 2 306.709 2.320 20 5 DEBDLO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCn2c[nH+]cc2C1 ZINC001472798373 1060585881 /nfs/dbraw/zinc/58/58/81/1060585881.db2.gz IGPDXZUMDNRJBI-UHFFFAOYSA-N 1 2 313.292 2.499 20 5 DEBDLO O=[N+]([O-])c1cnn(CCNc2nc3ccccc3n3c[nH+]cc23)c1 ZINC001612112787 1078107703 /nfs/dbraw/zinc/10/77/03/1078107703.db2.gz UJFLTEVHXQPZKB-UHFFFAOYSA-N 1 2 323.316 2.099 20 5 DEBDLO CNc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001632160666 1078379883 /nfs/dbraw/zinc/37/98/83/1078379883.db2.gz KVFVDVJEPJXMMI-UHFFFAOYSA-N 1 2 315.333 2.031 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2c[nH]nn2)cc1 ZINC001578049281 1066967693 /nfs/dbraw/zinc/96/76/93/1066967693.db2.gz UUZXCZYJHDGDEK-OAHLLOKOSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2c[nH]nn2)cc1 ZINC001578049281 1066967701 /nfs/dbraw/zinc/96/77/01/1066967701.db2.gz UUZXCZYJHDGDEK-OAHLLOKOSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2cnn[nH]2)cc1 ZINC001578049281 1066967712 /nfs/dbraw/zinc/96/77/12/1066967712.db2.gz UUZXCZYJHDGDEK-OAHLLOKOSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2cnn[nH]2)cc1 ZINC001578049281 1066967723 /nfs/dbraw/zinc/96/77/23/1066967723.db2.gz UUZXCZYJHDGDEK-OAHLLOKOSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]n2)cc1 ZINC001578049281 1066967730 /nfs/dbraw/zinc/96/77/30/1066967730.db2.gz UUZXCZYJHDGDEK-OAHLLOKOSA-N 1 2 301.350 2.483 20 5 DEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2cn[nH]n2)cc1 ZINC001578049281 1066967739 /nfs/dbraw/zinc/96/77/39/1066967739.db2.gz UUZXCZYJHDGDEK-OAHLLOKOSA-N 1 2 301.350 2.483 20 5 DEBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001641433630 1078711341 /nfs/dbraw/zinc/71/13/41/1078711341.db2.gz ZQDGOJJACGMMHF-GFCCVEGCSA-N 1 2 311.301 2.147 20 5 DEBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603057 1075101188 /nfs/dbraw/zinc/10/11/88/1075101188.db2.gz IRQPSNFZPIQCLS-NWDGAFQWSA-N 1 2 316.361 2.416 20 5 DEBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603057 1075101191 /nfs/dbraw/zinc/10/11/91/1075101191.db2.gz IRQPSNFZPIQCLS-NWDGAFQWSA-N 1 2 316.361 2.416 20 5 DEBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC001597585712 1077098151 /nfs/dbraw/zinc/09/81/51/1077098151.db2.gz ZOGYFCDOEXOVBJ-UHFFFAOYSA-N 1 2 318.308 2.266 20 5 DEBDLO Cc1cc(N)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001651688435 1079827590 /nfs/dbraw/zinc/82/75/90/1079827590.db2.gz PYDROGPJMVENDA-UHFFFAOYSA-N 1 2 322.321 2.390 20 5 DEBDLO COC(=O)c1cc(C)nc(NCc2[nH]c(C)c(C)[nH+]2)c1[N+](=O)[O-] ZINC001652252619 1079860772 /nfs/dbraw/zinc/86/07/72/1079860772.db2.gz OEZIWKAIHCNPRJ-UHFFFAOYSA-N 1 2 319.321 2.037 20 5 DEBDLO Cc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 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O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(C(F)F)C1 ZINC000610871460 361482487 /nfs/dbraw/zinc/48/24/87/361482487.db2.gz YVGBBKLHJCOXPO-UHFFFAOYSA-N 1 2 322.271 2.118 20 5 DEBDLO Cc1nsc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000266331794 205273165 /nfs/dbraw/zinc/27/31/65/205273165.db2.gz GXOGETIOUQWFRQ-UHFFFAOYSA-N 1 2 319.390 2.077 20 5 DEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456370755 247133330 /nfs/dbraw/zinc/13/33/30/247133330.db2.gz YIASCEDNPOCRSX-VIFPVBQESA-N 1 2 304.306 2.008 20 5 DEBDLO Cc1c(CC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456437245 247192459 /nfs/dbraw/zinc/19/24/59/247192459.db2.gz WWZFNNZEMAODTJ-GXFFZTMASA-N 1 2 314.345 2.464 20 5 DEBDLO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456409278 247173084 /nfs/dbraw/zinc/17/30/84/247173084.db2.gz ZNKKCSFGNFARLI-GXFFZTMASA-N 1 2 300.318 2.156 20 5 DEBDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000492541131 249085852 /nfs/dbraw/zinc/08/58/52/249085852.db2.gz WNUUJQBKAZIIJT-BQYQJAHWSA-N 1 2 300.318 2.487 20 5 DEBDLO CCn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000159170507 197333394 /nfs/dbraw/zinc/33/33/94/197333394.db2.gz YZSWRIZRVVZZQE-UHFFFAOYSA-N 1 2 315.377 2.133 20 5 DEBDLO COCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447815136 533268139 /nfs/dbraw/zinc/26/81/39/533268139.db2.gz CYQLHUPMXFCHRU-UHFFFAOYSA-N 1 2 323.393 2.266 20 5 DEBDLO Cn1c2ccccc2[nH+]c1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000194691271 132540799 /nfs/dbraw/zinc/54/07/99/132540799.db2.gz UMSSVOUQCMMJIC-UHFFFAOYSA-N 1 2 324.296 2.438 20 5 DEBDLO CC[C@@H](C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000347990000 132857352 /nfs/dbraw/zinc/85/73/52/132857352.db2.gz ADOMMSDVBJTUFJ-BXUZGUMPSA-N 1 2 310.350 2.151 20 5 DEBDLO O=[N+]([O-])c1c[nH]c(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355779810 133047505 /nfs/dbraw/zinc/04/75/05/133047505.db2.gz YHMYURXEXADUEM-UHFFFAOYSA-N 1 2 310.273 2.211 20 5 DEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000360541320 133188697 /nfs/dbraw/zinc/18/86/97/133188697.db2.gz FJCPUOITWQMDAI-IUODEOHRSA-N 1 2 322.361 2.247 20 5 DEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000360541320 133188698 /nfs/dbraw/zinc/18/86/98/133188698.db2.gz FJCPUOITWQMDAI-IUODEOHRSA-N 1 2 322.361 2.247 20 5 DEBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCn2c[nH+]cc2C1 ZINC000368115803 133260855 /nfs/dbraw/zinc/26/08/55/133260855.db2.gz QVOSSBWTEOEMGU-UHFFFAOYSA-N 1 2 321.724 2.492 20 5 DEBDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000377273757 133324842 /nfs/dbraw/zinc/32/48/42/133324842.db2.gz REHLHJVBZWLAEE-XJKSGUPXSA-N 1 2 306.362 2.283 20 5 DEBDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000377273757 133324843 /nfs/dbraw/zinc/32/48/43/133324843.db2.gz REHLHJVBZWLAEE-XJKSGUPXSA-N 1 2 306.362 2.283 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372751089 133365015 /nfs/dbraw/zinc/36/50/15/133365015.db2.gz OKBPDWCWYOIOFU-WDMOLILDSA-N 1 2 323.780 2.334 20 5 DEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372751089 133365016 /nfs/dbraw/zinc/36/50/16/133365016.db2.gz OKBPDWCWYOIOFU-WDMOLILDSA-N 1 2 323.780 2.334 20 5 DEBDLO C[C@H](CC(=O)NCCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000563218737 292040309 /nfs/dbraw/zinc/04/03/09/292040309.db2.gz VLWYDGMUDCLSPI-GFCCVEGCSA-N 1 2 302.334 2.101 20 5 DEBDLO COc1c(C(=O)Nc2ccc[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000355041534 146825108 /nfs/dbraw/zinc/82/51/08/146825108.db2.gz RYSNDCQGGQDJTP-UHFFFAOYSA-N 1 2 316.317 2.317 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246868235 145117277 /nfs/dbraw/zinc/11/72/77/145117277.db2.gz LHWIKIQLLRSYKO-KGLIPLIRSA-N 1 2 312.366 2.440 20 5 DEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246868235 145117278 /nfs/dbraw/zinc/11/72/78/145117278.db2.gz LHWIKIQLLRSYKO-KGLIPLIRSA-N 1 2 312.366 2.440 20 5 DEBDLO COc1cc[nH+]cc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000348243250 146239626 /nfs/dbraw/zinc/23/96/26/146239626.db2.gz TUWDRVWXDWVCJV-UHFFFAOYSA-N 1 2 305.265 2.068 20 5 DEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349204892 146358987 /nfs/dbraw/zinc/35/89/87/146358987.db2.gz VMJMZKOPJYSTJD-ZJUUUORDSA-N 1 2 304.306 2.261 20 5 DEBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccon1 ZINC000349237619 146360698 /nfs/dbraw/zinc/36/06/98/146360698.db2.gz GAAXEZRWWGSBPV-SECBINFHSA-N 1 2 305.290 2.300 20 5 DEBDLO Cc1cccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000371045743 148057637 /nfs/dbraw/zinc/05/76/37/148057637.db2.gz UFMLDKLYIBMVGB-GFCCVEGCSA-N 1 2 314.345 2.266 20 5 DEBDLO CCOC(=O)C(C)(C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000112357302 401741653 /nfs/dbraw/zinc/74/16/53/401741653.db2.gz VUHNOUJVJVNFCI-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO CCOC(=O)C(C)(C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000112357302 401741656 /nfs/dbraw/zinc/74/16/56/401741656.db2.gz VUHNOUJVJVNFCI-UHFFFAOYSA-N 1 2 310.350 2.247 20 5 DEBDLO CCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000072595132 401711005 /nfs/dbraw/zinc/71/10/05/401711005.db2.gz OYFWLDABEJWBSG-UHFFFAOYSA-N 1 2 318.333 2.010 20 5 DEBDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346198 401839847 /nfs/dbraw/zinc/83/98/47/401839847.db2.gz VZQISXUBFBREPG-UHFFFAOYSA-N 1 2 313.357 2.343 20 5 DEBDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346198 401839851 /nfs/dbraw/zinc/83/98/51/401839851.db2.gz VZQISXUBFBREPG-UHFFFAOYSA-N 1 2 313.357 2.343 20 5 DEBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000130025319 401815881 /nfs/dbraw/zinc/81/58/81/401815881.db2.gz XOPZPJTWCNUQEO-GFCCVEGCSA-N 1 2 310.350 2.246 20 5 DEBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000130025319 401815884 /nfs/dbraw/zinc/81/58/84/401815884.db2.gz XOPZPJTWCNUQEO-GFCCVEGCSA-N 1 2 310.350 2.246 20 5 DEBDLO CC(C)(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000015171411 401816339 /nfs/dbraw/zinc/81/63/39/401816339.db2.gz LPFXEGGWJBJVNP-UHFFFAOYSA-N 1 2 324.337 2.026 20 5 DEBDLO Cc1nn(CCC(=O)Nc2ccc(C)[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000119140691 401928429 /nfs/dbraw/zinc/92/84/29/401928429.db2.gz ASAMNEZUAZXQHK-UHFFFAOYSA-N 1 2 317.349 2.449 20 5 DEBDLO O=C(NCCn1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000044722491 401947623 /nfs/dbraw/zinc/94/76/23/401947623.db2.gz JIKHJYUUOYVJFI-UHFFFAOYSA-N 1 2 316.342 2.436 20 5 DEBDLO NC(=O)c1csc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000093338394 402014641 /nfs/dbraw/zinc/01/46/41/402014641.db2.gz JBJPSUMSIAKVJM-UHFFFAOYSA-N 1 2 317.370 2.314 20 5 DEBDLO NC(=O)c1csc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000093338394 402014643 /nfs/dbraw/zinc/01/46/43/402014643.db2.gz JBJPSUMSIAKVJM-UHFFFAOYSA-N 1 2 317.370 2.314 20 5 DEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncccc1[N+](=O)[O-])C2 ZINC000106369240 402213385 /nfs/dbraw/zinc/21/33/85/402213385.db2.gz PYPBNEMGSHBSOU-UHFFFAOYSA-N 1 2 301.350 2.409 20 5 DEBDLO CC(C)C(=O)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000069609702 402234442 /nfs/dbraw/zinc/23/44/42/402234442.db2.gz ZFHDJVLMGJGPNH-UHFFFAOYSA-N 1 2 311.407 2.347 20 5 DEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000069609702 402234443 /nfs/dbraw/zinc/23/44/43/402234443.db2.gz ZFHDJVLMGJGPNH-UHFFFAOYSA-N 1 2 311.407 2.347 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(F)F ZINC000156760865 402287364 /nfs/dbraw/zinc/28/73/64/402287364.db2.gz GUFKRDNGTLNHML-UHFFFAOYSA-N 1 2 317.292 2.129 20 5 DEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(F)F ZINC000156760865 402287368 /nfs/dbraw/zinc/28/73/68/402287368.db2.gz GUFKRDNGTLNHML-UHFFFAOYSA-N 1 2 317.292 2.129 20 5 DEBDLO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCC1 ZINC000186224588 402412685 /nfs/dbraw/zinc/41/26/85/402412685.db2.gz SPEXXWIUHPLHES-UHFFFAOYSA-N 1 2 321.377 2.247 20 5 DEBDLO Cc1ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245718328 402482160 /nfs/dbraw/zinc/48/21/60/402482160.db2.gz HNDSYMLTTMFRDJ-NEPJUHHUSA-N 1 2 314.407 2.157 20 5 DEBDLO Cc1ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245718328 402482161 /nfs/dbraw/zinc/48/21/61/402482161.db2.gz HNDSYMLTTMFRDJ-NEPJUHHUSA-N 1 2 314.407 2.157 20 5 DEBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170913921 402541316 /nfs/dbraw/zinc/54/13/16/402541316.db2.gz WFDFOLPDPRIRDD-CQSZACIVSA-N 1 2 321.377 2.092 20 5 DEBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170913921 402541318 /nfs/dbraw/zinc/54/13/18/402541318.db2.gz WFDFOLPDPRIRDD-CQSZACIVSA-N 1 2 321.377 2.092 20 5 DEBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000178660229 402522628 /nfs/dbraw/zinc/52/26/28/402522628.db2.gz PWBMJJZALQCKOI-LLVKDONJSA-N 1 2 301.350 2.373 20 5 DEBDLO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000170888537 402538367 /nfs/dbraw/zinc/53/83/67/402538367.db2.gz JGNRIMXEUKXREH-NSHDSACASA-N 1 2 303.322 2.249 20 5 DEBDLO CCOC(=O)[C@@H](C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190838839 402626078 /nfs/dbraw/zinc/62/60/78/402626078.db2.gz XNHSKIAMWJOPSM-ABAIWWIYSA-N 1 2 322.361 2.044 20 5 DEBDLO CCOC(=O)[C@@H](C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190838839 402626080 /nfs/dbraw/zinc/62/60/80/402626080.db2.gz XNHSKIAMWJOPSM-ABAIWWIYSA-N 1 2 322.361 2.044 20 5 DEBDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255421245 402687202 /nfs/dbraw/zinc/68/72/02/402687202.db2.gz CCMRWMUFCKKCRT-SREVYHEPSA-N 1 2 314.345 2.353 20 5 DEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000183556003 402775623 /nfs/dbraw/zinc/77/56/23/402775623.db2.gz DFEQHFTYECERDD-NSHDSACASA-N 1 2 316.321 2.472 20 5 DEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000183698146 402789902 /nfs/dbraw/zinc/78/99/02/402789902.db2.gz FJRHPYJKDWTZBR-UHFFFAOYSA-N 1 2 324.300 2.010 20 5 DEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1C ZINC000264313869 402866973 /nfs/dbraw/zinc/86/69/73/402866973.db2.gz OJGGPGITAUTZJO-JTQLQIEISA-N 1 2 320.374 2.125 20 5 DEBDLO Cc1cc(N2CC[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265768073 402948023 /nfs/dbraw/zinc/94/80/23/402948023.db2.gz CGCAMRQZHLYZDB-LBPRGKRZSA-N 1 2 314.345 2.179 20 5 DEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1[nH+]ccn1C ZINC000276386563 403169642 /nfs/dbraw/zinc/16/96/42/403169642.db2.gz HLNQAXZZTQEYCA-UHFFFAOYSA-N 1 2 303.322 2.267 20 5 DEBDLO CC(=O)c1cc(NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000285683288 403356704 /nfs/dbraw/zinc/35/67/04/403356704.db2.gz QDMAEPWKMNOYFO-UHFFFAOYSA-N 1 2 321.377 2.320 20 5 DEBDLO Cn1ncc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000293135846 403398159 /nfs/dbraw/zinc/39/81/59/403398159.db2.gz CIPXYBBVBMBLJV-UHFFFAOYSA-N 1 2 315.255 2.032 20 5 DEBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331790481 403455831 /nfs/dbraw/zinc/45/58/31/403455831.db2.gz GSDAGEBRJDKSEL-AWEZNQCLSA-N 1 2 302.334 2.371 20 5 DEBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331790481 403455834 /nfs/dbraw/zinc/45/58/34/403455834.db2.gz GSDAGEBRJDKSEL-AWEZNQCLSA-N 1 2 302.334 2.371 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286321119 403499505 /nfs/dbraw/zinc/49/95/05/403499505.db2.gz KXHXEPWBXDJKKG-UONOGXRCSA-N 1 2 305.378 2.203 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000332730292 403608092 /nfs/dbraw/zinc/60/80/92/403608092.db2.gz UCXCBNSPEIADQP-VIFPVBQESA-N 1 2 306.288 2.491 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000332730292 403608098 /nfs/dbraw/zinc/60/80/98/403608098.db2.gz UCXCBNSPEIADQP-VIFPVBQESA-N 1 2 306.288 2.491 20 5 DEBDLO C[C@@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000347324666 403664417 /nfs/dbraw/zinc/66/44/17/403664417.db2.gz RAIYFZMOJQMTTP-OAHLLOKOSA-N 1 2 318.308 2.355 20 5 DEBDLO CN(C)c1ccccc1C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000344107306 403914766 /nfs/dbraw/zinc/91/47/66/403914766.db2.gz JKOHVMRWTOTDQC-UHFFFAOYSA-N 1 2 303.366 2.026 20 5 DEBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000344107306 403914771 /nfs/dbraw/zinc/91/47/71/403914771.db2.gz JKOHVMRWTOTDQC-UHFFFAOYSA-N 1 2 303.366 2.026 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000369051984 403950169 /nfs/dbraw/zinc/95/01/69/403950169.db2.gz RCECIUQEEHKKJK-UHFFFAOYSA-N 1 2 308.382 2.252 20 5 DEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000369051984 403950178 /nfs/dbraw/zinc/95/01/78/403950178.db2.gz RCECIUQEEHKKJK-UHFFFAOYSA-N 1 2 308.382 2.252 20 5 DEBDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980449 404053189 /nfs/dbraw/zinc/05/31/89/404053189.db2.gz CEAONKDHYCTVPY-WFASDCNBSA-N 1 2 323.368 2.029 20 5 DEBDLO COc1cc(C[NH2+]Cc2ccc(F)cn2)c([N+](=O)[O-])cc1OC ZINC000344920909 404447052 /nfs/dbraw/zinc/44/70/52/404447052.db2.gz AGFGZEQUBIRWOM-UHFFFAOYSA-N 1 2 321.308 2.436 20 5 DEBDLO CC(C)[C@H]1CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353034015 404728043 /nfs/dbraw/zinc/72/80/43/404728043.db2.gz ZKVJHVIGSGCLBI-CQSZACIVSA-N 1 2 312.391 2.099 20 5 DEBDLO CC(C)[C@H]1CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353034015 404728045 /nfs/dbraw/zinc/72/80/45/404728045.db2.gz ZKVJHVIGSGCLBI-CQSZACIVSA-N 1 2 312.391 2.099 20 5 DEBDLO CN(Cc1[nH]cc[nH+]1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436392444 405076336 /nfs/dbraw/zinc/07/63/36/405076336.db2.gz TYFGLFFFFAOVFH-UHFFFAOYSA-N 1 2 301.228 2.368 20 5 DEBDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000361566790 405134506 /nfs/dbraw/zinc/13/45/06/405134506.db2.gz RWJMAZSVBPAYOK-GWCFXTLKSA-N 1 2 314.769 2.220 20 5 DEBDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000361566790 405134513 /nfs/dbraw/zinc/13/45/13/405134513.db2.gz RWJMAZSVBPAYOK-GWCFXTLKSA-N 1 2 314.769 2.220 20 5 DEBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000439487541 405281830 /nfs/dbraw/zinc/28/18/30/405281830.db2.gz TZHKWWDUFFSXSI-GFCCVEGCSA-N 1 2 304.350 2.472 20 5 DEBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000439487541 405281832 /nfs/dbraw/zinc/28/18/32/405281832.db2.gz TZHKWWDUFFSXSI-GFCCVEGCSA-N 1 2 304.350 2.472 20 5 DEBDLO Cn1ncc(Cl)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425978525 405333454 /nfs/dbraw/zinc/33/34/54/405333454.db2.gz QDCXXRLKGBSKNF-UHFFFAOYSA-N 1 2 324.772 2.015 20 5 DEBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](CO)O1 ZINC000420610620 405361276 /nfs/dbraw/zinc/36/12/76/405361276.db2.gz NZQALVZVEYTJCB-ZDUSSCGKSA-N 1 2 317.345 2.119 20 5 DEBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](CO)O1 ZINC000420610619 405361383 /nfs/dbraw/zinc/36/13/83/405361383.db2.gz NZQALVZVEYTJCB-CYBMUJFWSA-N 1 2 317.345 2.119 20 5 DEBDLO CCn1nnc(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449028863 405505472 /nfs/dbraw/zinc/50/54/72/405505472.db2.gz PNNDDENMVIPJOE-UHFFFAOYSA-N 1 2 301.350 2.073 20 5 DEBDLO CCn1nnc(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449028863 405505480 /nfs/dbraw/zinc/50/54/80/405505480.db2.gz PNNDDENMVIPJOE-UHFFFAOYSA-N 1 2 301.350 2.073 20 5 DEBDLO CCO[C@@H]1C[C@@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000559815663 405754796 /nfs/dbraw/zinc/75/47/96/405754796.db2.gz OSHGHEPRBZQDGH-UONOGXRCSA-N 1 2 314.345 2.371 20 5 DEBDLO CCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000531103791 405908242 /nfs/dbraw/zinc/90/82/42/405908242.db2.gz NAAPAPKNBNIJCJ-UHFFFAOYSA-N 1 2 309.341 2.178 20 5 DEBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000531103791 405908248 /nfs/dbraw/zinc/90/82/48/405908248.db2.gz NAAPAPKNBNIJCJ-UHFFFAOYSA-N 1 2 309.341 2.178 20 5 DEBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000450465095 405912957 /nfs/dbraw/zinc/91/29/57/405912957.db2.gz DDHDWUGHQPSDLA-SNVBAGLBSA-N 1 2 324.362 2.285 20 5 DEBDLO Cc1c(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000519178613 406185926 /nfs/dbraw/zinc/18/59/26/406185926.db2.gz MDRIZWVOFBXEMD-SNVBAGLBSA-N 1 2 302.334 2.121 20 5 DEBDLO Cc1c(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000519178613 406185928 /nfs/dbraw/zinc/18/59/28/406185928.db2.gz MDRIZWVOFBXEMD-SNVBAGLBSA-N 1 2 302.334 2.121 20 5 DEBDLO CO[C@H]1C[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000488117934 406294933 /nfs/dbraw/zinc/29/49/33/406294933.db2.gz YWDPOYDAOBBXTN-STQMWFEESA-N 1 2 300.742 2.094 20 5 DEBDLO CCn1cc[nH+]c1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000570177223 406358828 /nfs/dbraw/zinc/35/88/28/406358828.db2.gz YAIGHALQFRDVJX-UHFFFAOYSA-N 1 2 302.334 2.074 20 5 DEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CCO2)CC1 ZINC000548797237 406553960 /nfs/dbraw/zinc/55/39/60/406553960.db2.gz PIURBBUGNQDEOB-UHFFFAOYSA-N 1 2 319.361 2.097 20 5 DEBDLO Cn1c[nH+]cc1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000548515266 406525290 /nfs/dbraw/zinc/52/52/90/406525290.db2.gz ZJEXZMWQHZEGMD-UHFFFAOYSA-N 1 2 314.301 2.047 20 5 DEBDLO COc1cccc(C(=O)Nc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000194008516 225172432 /nfs/dbraw/zinc/17/24/32/225172432.db2.gz LKWXARUXFOQPBK-UHFFFAOYSA-N 1 2 316.317 2.317 20 5 DEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCCS3(=O)=O)c2c1 ZINC000413192505 228289711 /nfs/dbraw/zinc/28/97/11/228289711.db2.gz FRUPQDWBQMQSJM-GFCCVEGCSA-N 1 2 321.358 2.132 20 5 DEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccon1 ZINC000611211315 422474795 /nfs/dbraw/zinc/47/47/95/422474795.db2.gz FMNJHGVXIUTJSC-UHFFFAOYSA-N 1 2 316.317 2.186 20 5 DEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccon1 ZINC000611211315 422474802 /nfs/dbraw/zinc/47/48/02/422474802.db2.gz FMNJHGVXIUTJSC-UHFFFAOYSA-N 1 2 316.317 2.186 20 5 DEBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccn4cc[nH+]c4c3)c21 ZINC000347458040 425012785 /nfs/dbraw/zinc/01/27/85/425012785.db2.gz XKTOGWIGHBVIGL-UHFFFAOYSA-N 1 2 320.312 2.798 20 5 DEBDLO C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC000514734089 269329865 /nfs/dbraw/zinc/32/98/65/269329865.db2.gz ZSOBJMCJHOVOMW-NSHDSACASA-N 1 2 300.318 2.332 20 5 DEBDLO C[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000516828228 269369716 /nfs/dbraw/zinc/36/97/16/269369716.db2.gz LTXXNYNWGRWNEG-CYBMUJFWSA-N 1 2 316.361 2.491 20 5 DEBDLO C[C@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000517747747 269391816 /nfs/dbraw/zinc/39/18/16/269391816.db2.gz FNDRLWMJNOBYNK-GFCCVEGCSA-N 1 2 302.334 2.101 20 5 DEBDLO CC(C)N(C)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236813 282065379 /nfs/dbraw/zinc/06/53/79/282065379.db2.gz RICWCYIVRQEZHY-UHFFFAOYSA-N 1 2 305.378 2.426 20 5 DEBDLO CC(C)N(C)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236813 282065380 /nfs/dbraw/zinc/06/53/80/282065380.db2.gz RICWCYIVRQEZHY-UHFFFAOYSA-N 1 2 305.378 2.426 20 5 DEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])o2)CC1(C)C ZINC000296463317 294424436 /nfs/dbraw/zinc/42/44/36/294424436.db2.gz ZZXUGQOXRGDHKG-NSHDSACASA-N 1 2 304.306 2.145 20 5 DEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247505317 523468748 /nfs/dbraw/zinc/46/87/48/523468748.db2.gz IVJZHOIPASSQGO-LALPHHSUSA-N 1 2 321.377 2.421 20 5 DEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247505317 523468756 /nfs/dbraw/zinc/46/87/56/523468756.db2.gz IVJZHOIPASSQGO-LALPHHSUSA-N 1 2 321.377 2.421 20 5 DEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299601796 534773485 /nfs/dbraw/zinc/77/34/85/534773485.db2.gz XTKLODLREAJORV-UHFFFAOYSA-N 1 2 306.347 2.399 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](C)C1 ZINC000245403053 526167668 /nfs/dbraw/zinc/16/76/68/526167668.db2.gz KIJSFLSSTQEVKU-NWDGAFQWSA-N 1 2 307.350 2.033 20 5 DEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@@H](C)C1 ZINC000245403053 526167672 /nfs/dbraw/zinc/16/76/72/526167672.db2.gz KIJSFLSSTQEVKU-NWDGAFQWSA-N 1 2 307.350 2.033 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000339193982 527370609 /nfs/dbraw/zinc/37/06/09/527370609.db2.gz JWHOJGAWMMOELE-VIFPVBQESA-N 1 2 302.277 2.362 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000339193982 527370617 /nfs/dbraw/zinc/37/06/17/527370617.db2.gz JWHOJGAWMMOELE-VIFPVBQESA-N 1 2 302.277 2.362 20 5 DEBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188918927 528368019 /nfs/dbraw/zinc/36/80/19/528368019.db2.gz DAIXQACMLJNDBC-BIENSFFJSA-N 1 2 317.389 2.455 20 5 DEBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188918927 528368023 /nfs/dbraw/zinc/36/80/23/528368023.db2.gz DAIXQACMLJNDBC-BIENSFFJSA-N 1 2 317.389 2.455 20 5 DEBDLO COCCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835092624 649877623 /nfs/dbraw/zinc/87/76/23/649877623.db2.gz XARZKLWMCFPRCT-UHFFFAOYSA-N 1 2 319.317 2.364 20 5 DEBDLO O=C(O[C@H]1CCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835130082 649881731 /nfs/dbraw/zinc/88/17/31/649881731.db2.gz CYQHUYLOANPYOG-NSHDSACASA-N 1 2 319.342 2.443 20 5 DEBDLO CC(C)(F)C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980611276 635063156 /nfs/dbraw/zinc/06/31/56/635063156.db2.gz XHNXQPFZAIEZCY-UHFFFAOYSA-N 1 2 323.368 2.377 20 5 DEBDLO CC(C)(F)C(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980611276 635063159 /nfs/dbraw/zinc/06/31/59/635063159.db2.gz XHNXQPFZAIEZCY-UHFFFAOYSA-N 1 2 323.368 2.377 20 5 DEBDLO CCNc1cc(CNc2c([N+](=O)[O-])c(CC)nn2C)cc[nH+]1 ZINC000894871381 637278958 /nfs/dbraw/zinc/27/89/58/637278958.db2.gz CSPOQUVIVYHTBU-UHFFFAOYSA-N 1 2 304.354 2.330 20 5 DEBDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029216468 637428280 /nfs/dbraw/zinc/42/82/80/637428280.db2.gz KXTGXHTVXCSTPG-IYBDPMFKSA-N 1 2 317.389 2.426 20 5 DEBDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029216468 637428283 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CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000805475407 641710883 /nfs/dbraw/zinc/71/08/83/641710883.db2.gz PPVWEWJQDQNSCK-IUODEOHRSA-N 1 2 322.361 2.228 20 5 DEBDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000805475407 641710889 /nfs/dbraw/zinc/71/08/89/641710889.db2.gz PPVWEWJQDQNSCK-IUODEOHRSA-N 1 2 322.361 2.228 20 5 DEBDLO CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000898902684 641840303 /nfs/dbraw/zinc/84/03/03/641840303.db2.gz QOAIWJZNNRRHBS-UHFFFAOYSA-N 1 2 306.297 2.096 20 5 DEBDLO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000898907792 641845837 /nfs/dbraw/zinc/84/58/37/641845837.db2.gz ZSJITHBOPLNPNU-GFCCVEGCSA-N 1 2 316.361 2.446 20 5 DEBDLO CC(C)c1[nH+]ccn1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780435582 642623955 /nfs/dbraw/zinc/62/39/55/642623955.db2.gz BZGCWHHTDSPXRD-UHFFFAOYSA-N 1 2 318.333 2.050 20 5 DEBDLO Cc1nn(C[N@@H+]2CCOCC3(CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000782299734 642857235 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CC1=C[C@H](C)C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000797419680 644878749 /nfs/dbraw/zinc/87/87/49/644878749.db2.gz PFLNHLWYMQGMCR-JTQLQIEISA-N 1 2 303.318 2.358 20 5 DEBDLO CC1=C[C@H](C)C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000797419680 644878754 /nfs/dbraw/zinc/87/87/54/644878754.db2.gz PFLNHLWYMQGMCR-JTQLQIEISA-N 1 2 303.318 2.358 20 5 DEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H]2CCC[C@H]2C1=O ZINC000840077873 645880835 /nfs/dbraw/zinc/88/08/35/645880835.db2.gz JPMUAZMDUMPPTM-HUUCEWRRSA-N 1 2 317.389 2.285 20 5 DEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H]2CCC[C@H]2C1=O ZINC000840077873 645880842 /nfs/dbraw/zinc/88/08/42/645880842.db2.gz JPMUAZMDUMPPTM-HUUCEWRRSA-N 1 2 317.389 2.285 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1Cl ZINC000824726836 648643660 /nfs/dbraw/zinc/64/36/60/648643660.db2.gz WOJYLJCMBLWBJQ-GFCCVEGCSA-N 1 2 306.696 2.450 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1Cl ZINC000824726836 648643662 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312.329 2.334 20 5 DEBDLO O=C(CC[N@H+]1Cc2ccncc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000857877391 652194294 /nfs/dbraw/zinc/19/42/94/652194294.db2.gz DSMAAIUJZLOXFL-UHFFFAOYSA-N 1 2 312.329 2.334 20 5 DEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976572 652225673 /nfs/dbraw/zinc/22/56/73/652225673.db2.gz HHAIQGUVCKBLPD-SNVBAGLBSA-N 1 2 304.281 2.114 20 5 DEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000866118705 687452737 /nfs/dbraw/zinc/45/27/37/687452737.db2.gz FVNLLOAZFODVFH-GFCCVEGCSA-N 1 2 310.329 2.150 20 5 DEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000866118705 687452741 /nfs/dbraw/zinc/45/27/41/687452741.db2.gz FVNLLOAZFODVFH-GFCCVEGCSA-N 1 2 310.329 2.150 20 5 DEBDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930556386 694188940 /nfs/dbraw/zinc/18/89/40/694188940.db2.gz MEEFTMLEMGHSNQ-SNVBAGLBSA-N 1 2 301.749 2.266 20 5 DEBDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC[N+](=O)[O-] ZINC000930556386 694188941 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XQJWEOJTVRBGPJ-XBFCOCLRSA-N 1 2 324.402 2.022 20 5 DEBDLO CC[C@@H](C)C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC ZINC000877603641 690164834 /nfs/dbraw/zinc/16/48/34/690164834.db2.gz RNAMJYOXDWIKRW-MLCFOIATSA-N 1 2 324.381 2.062 20 5 DEBDLO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000879491955 690653886 /nfs/dbraw/zinc/65/38/86/690653886.db2.gz MRXVQHHAZUWVDY-CYBMUJFWSA-N 1 2 309.391 2.132 20 5 DEBDLO NC(=O)[C@@H](C1CC1)[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000879491955 690653890 /nfs/dbraw/zinc/65/38/90/690653890.db2.gz MRXVQHHAZUWVDY-CYBMUJFWSA-N 1 2 309.391 2.132 20 5 DEBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000885946753 691968477 /nfs/dbraw/zinc/96/84/77/691968477.db2.gz PQTZQBFXRJTBKE-CYBMUJFWSA-N 1 2 315.329 2.262 20 5 DEBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000885946753 691968480 /nfs/dbraw/zinc/96/84/80/691968480.db2.gz PQTZQBFXRJTBKE-CYBMUJFWSA-N 1 2 315.329 2.262 20 5 DEBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886029717 691987381 /nfs/dbraw/zinc/98/73/81/691987381.db2.gz ACBWXWWGUCDPHF-CABCVRRESA-N 1 2 320.393 2.211 20 5 DEBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886029717 691987383 /nfs/dbraw/zinc/98/73/83/691987383.db2.gz ACBWXWWGUCDPHF-CABCVRRESA-N 1 2 320.393 2.211 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(F)c1 ZINC000886799116 692194845 /nfs/dbraw/zinc/19/48/45/692194845.db2.gz MPRYJGJYLATMHY-GFCCVEGCSA-N 1 2 322.258 2.481 20 5 DEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(F)c1 ZINC000886799116 692194846 /nfs/dbraw/zinc/19/48/46/692194846.db2.gz MPRYJGJYLATMHY-GFCCVEGCSA-N 1 2 322.258 2.481 20 5 DEBDLO COC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000886854534 692210863 /nfs/dbraw/zinc/21/08/63/692210863.db2.gz RVMNJBCUUDMLFP-JTQLQIEISA-N 1 2 313.741 2.179 20 5 DEBDLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000886854534 692210867 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2.317 20 5 DEBDLO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168374198 781677538 /nfs/dbraw/zinc/67/75/38/781677538.db2.gz NNYXILNDTARXPB-LLVKDONJSA-N 1 2 309.341 2.317 20 5 DEBDLO CCOC(=O)C[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334095 786912379 /nfs/dbraw/zinc/91/23/79/786912379.db2.gz BKTLMIBUIDJUBX-LLVKDONJSA-N 1 2 310.350 2.029 20 5 DEBDLO CCOC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334095 786912383 /nfs/dbraw/zinc/91/23/83/786912383.db2.gz BKTLMIBUIDJUBX-LLVKDONJSA-N 1 2 310.350 2.029 20 5 DEBDLO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118556127 795199129 /nfs/dbraw/zinc/19/91/29/795199129.db2.gz CAYLCRZISGBVOU-LYRGGWFBSA-N 1 2 315.373 2.358 20 5 DEBDLO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118556127 795199133 /nfs/dbraw/zinc/19/91/33/795199133.db2.gz CAYLCRZISGBVOU-LYRGGWFBSA-N 1 2 315.373 2.358 20 5 DEBDLO COc1ccc(OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC001122430818 795756941 /nfs/dbraw/zinc/75/69/41/795756941.db2.gz HAEOQJXJYMUIIK-LBPRGKRZSA-N 1 2 308.334 2.382 20 5 DEBDLO COc1ccc(OC(=O)[C@@H]2CCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC001122430818 795756947 /nfs/dbraw/zinc/75/69/47/795756947.db2.gz HAEOQJXJYMUIIK-LBPRGKRZSA-N 1 2 308.334 2.382 20 5 DEBDLO Cc1cccn2c([C@H](C)Nc3cc([N+](=O)[O-])cc[n+]3[O-])c[nH+]c12 ZINC001160683291 798721942 /nfs/dbraw/zinc/72/19/42/798721942.db2.gz OSVVVIZZGAOCRL-NSHDSACASA-N 1 2 313.317 2.357 20 5 DEBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc([N+](=O)[O-])c(C)n2)c1 ZINC001162130501 799016727 /nfs/dbraw/zinc/01/67/27/799016727.db2.gz CCPVOEIOBXVAQG-UHFFFAOYSA-N 1 2 317.349 2.487 20 5 DEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Cl)nn3)nc2c1 ZINC001205550765 800375223 /nfs/dbraw/zinc/37/52/23/800375223.db2.gz AWUHKXXWXVJLCL-UHFFFAOYSA-N 1 2 318.724 2.204 20 5 DEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC1C[NH+](C(C)C)C1 ZINC001229958108 801341016 /nfs/dbraw/zinc/34/10/16/801341016.db2.gz NWUBFZXVQGUMQI-UHFFFAOYSA-N 1 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CC(C)[NH+]1CC(Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228801836 803416132 /nfs/dbraw/zinc/41/61/32/803416132.db2.gz AGGQNXLVSAQRCB-UHFFFAOYSA-N 1 2 304.302 2.173 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1(O)CCCCC1)C2 ZINC001330657990 1149237599 /nfs/dbraw/zinc/23/75/99/1149237599.db2.gz NUKUETJYYNIMHM-INIZCTEOSA-N 1 2 320.389 2.357 20 5 DEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1(O)CCCCC1)C2 ZINC001330657990 1149237618 /nfs/dbraw/zinc/23/76/18/1149237618.db2.gz NUKUETJYYNIMHM-INIZCTEOSA-N 1 2 320.389 2.357 20 5 DEBDLO CCn1c[nH+]cc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001345588952 1150898016 /nfs/dbraw/zinc/89/80/16/1150898016.db2.gz IOAXYHFWXWTTCE-UHFFFAOYSA-N 1 2 318.333 2.357 20 5 DEBDLO COc1nscc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001473828085 1060733522 /nfs/dbraw/zinc/73/35/22/1060733522.db2.gz IISKEXFBFKVNTR-ZDUSSCGKSA-N 1 2 323.374 2.225 20 5 DEBDLO COc1nscc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001473828085 1060733538 /nfs/dbraw/zinc/73/35/38/1060733538.db2.gz IISKEXFBFKVNTR-ZDUSSCGKSA-N 1 2 323.374 2.225 20 5 DEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001634635151 1078434482 /nfs/dbraw/zinc/43/44/82/1078434482.db2.gz RFBWNINGAHBBED-SNVBAGLBSA-N 1 2 302.334 2.355 20 5 DEBDLO CCc1[nH]c(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c[nH+]1 ZINC001645212016 1078885125 /nfs/dbraw/zinc/88/51/25/1078885125.db2.gz ADYHKOGCXGUHPV-UHFFFAOYSA-N 1 2 306.297 2.258 20 5 DEBDLO CCc1[nH]cc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[nH+]1 ZINC001645212016 1078885129 /nfs/dbraw/zinc/88/51/29/1078885129.db2.gz ADYHKOGCXGUHPV-UHFFFAOYSA-N 1 2 306.297 2.258 20 5 DEBDLO CCc1[nH]c(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c[nH+]1 ZINC001646326384 1074415582 /nfs/dbraw/zinc/41/55/82/1074415582.db2.gz ZTWJDESBALDIAL-UHFFFAOYSA-N 1 2 322.752 2.393 20 5 DEBDLO CCc1[nH]cc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[nH+]1 ZINC001646326384 1074415586 /nfs/dbraw/zinc/41/55/86/1074415586.db2.gz ZTWJDESBALDIAL-UHFFFAOYSA-N 1 2 322.752 2.393 20 5 DEBDLO COc1cc(C[NH2+]Cc2cc(C)ccn2)c([N+](=O)[O-])cc1O ZINC001651494543 1079815359 /nfs/dbraw/zinc/81/53/59/1079815359.db2.gz QZQBGOWMYINRSU-UHFFFAOYSA-N 1 2 303.318 2.302 20 5 DEBDLO CCc1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001654504259 1079966527 /nfs/dbraw/zinc/96/65/27/1079966527.db2.gz WFOKQTSXULOIMO-HNNXBMFYSA-N 1 2 305.334 2.143 20 5 DEBDLO CC(C)c1ccc(C[NH2+][C@@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC001658714393 1080214616 /nfs/dbraw/zinc/21/46/16/1080214616.db2.gz PMERSXCUUHCSIL-JTQLQIEISA-N 1 2 304.354 2.093 20 5 DEBDLO CCc1onc(C)c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001659773907 1080250913 /nfs/dbraw/zinc/25/09/13/1080250913.db2.gz RPHFQLKEHKTJLY-INIZCTEOSA-N 1 2 319.361 2.451 20 5 DEBDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001674246008 1081853107 /nfs/dbraw/zinc/85/31/07/1081853107.db2.gz RROWSMPGGODIDY-UHFFFAOYSA-N 1 2 323.740 2.346 20 5 DEBDLO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](Cc2cccnc2)CC1 ZINC001320589693 1140883228 /nfs/dbraw/zinc/88/32/28/1140883228.db2.gz QKYXVLHUWXWHKW-UHFFFAOYSA-N 1 2 313.361 2.015 20 5 DEBDLO CN(C)c1[nH+]ccc2c1CN(c1cc(N)ccc1[N+](=O)[O-])CC2 ZINC001338109736 1142829816 /nfs/dbraw/zinc/82/98/16/1142829816.db2.gz LQLYRXRLZQZXHL-UHFFFAOYSA-N 1 2 313.361 2.201 20 5 DEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001254569080 1143252692 /nfs/dbraw/zinc/25/26/92/1143252692.db2.gz HPKNCSNLFYAERN-CYBMUJFWSA-N 1 2 317.389 2.270 20 5 DEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001254569080 1143252714 /nfs/dbraw/zinc/25/27/14/1143252714.db2.gz HPKNCSNLFYAERN-CYBMUJFWSA-N 1 2 317.389 2.270 20 5 DEBDLO COC(=O)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001254580980 1143263784 /nfs/dbraw/zinc/26/37/84/1143263784.db2.gz JGBDIJZKBUICRH-ZBFHGGJFSA-N 1 2 318.373 2.383 20 5 DEBDLO CNc1c(C(=O)OCCCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC001263510401 1144378723 /nfs/dbraw/zinc/37/87/23/1144378723.db2.gz BVSGQOZDMRANSJ-UHFFFAOYSA-N 1 2 318.333 2.160 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001307423147 1147426088 /nfs/dbraw/zinc/42/60/88/1147426088.db2.gz XSTOQPZFTVJQIR-LBPRGKRZSA-N 1 2 314.345 2.470 20 5 DEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001307423147 1147426092 /nfs/dbraw/zinc/42/60/92/1147426092.db2.gz XSTOQPZFTVJQIR-LBPRGKRZSA-N 1 2 314.345 2.470 20 5 DEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001310799518 1147523251 /nfs/dbraw/zinc/52/32/51/1147523251.db2.gz JVCQNMUDJMRHFZ-SECBINFHSA-N 1 2 307.285 2.141 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000081798373 192325967 /nfs/dbraw/zinc/32/59/67/192325967.db2.gz XHNMRXMDJYVYCC-LBPRGKRZSA-N 1 2 302.334 2.166 20 5 DEBDLO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000153714099 282173334 /nfs/dbraw/zinc/17/33/34/282173334.db2.gz KYDZSDQKZMUGGX-UWVGGRQHSA-N 1 2 314.773 2.164 20 5 DEBDLO O=C(NCc1ccccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032486248 539332862 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DEBDLO CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861739 191241909 /nfs/dbraw/zinc/24/19/09/191241909.db2.gz FFUMIPVUTZCINC-CQSZACIVSA-N 1 2 323.418 2.385 20 5 DEBDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861739 191241912 /nfs/dbraw/zinc/24/19/12/191241912.db2.gz FFUMIPVUTZCINC-CQSZACIVSA-N 1 2 323.418 2.385 20 5 DEBDLO Cc1cc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000061801405 354631786 /nfs/dbraw/zinc/63/17/86/354631786.db2.gz ABAXWHNZRASJOH-UHFFFAOYSA-N 1 2 316.361 2.209 20 5 DEBDLO CCO[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618281999 363446819 /nfs/dbraw/zinc/44/68/19/363446819.db2.gz MQOWXWAYXFWKRN-LBPRGKRZSA-N 1 2 304.350 2.472 20 5 DEBDLO CCO[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618281999 363446827 /nfs/dbraw/zinc/44/68/27/363446827.db2.gz MQOWXWAYXFWKRN-LBPRGKRZSA-N 1 2 304.350 2.472 20 5 DEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1 ZINC000090631856 355565369 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O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]2C[C@H]21 ZINC000590759170 357604072 /nfs/dbraw/zinc/60/40/72/357604072.db2.gz YEJIRIHRPDMEKT-SMDDNHRTSA-N 1 2 312.329 2.405 20 5 DEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000179590160 199060498 /nfs/dbraw/zinc/06/04/98/199060498.db2.gz OMIZHOWNVXMUEK-UHFFFAOYSA-N 1 2 317.345 2.002 20 5 DEBDLO CC(C)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000276644478 213019623 /nfs/dbraw/zinc/01/96/23/213019623.db2.gz RDRCWPAGZDHHJC-CQSZACIVSA-N 1 2 302.334 2.374 20 5 DEBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595446845 358450883 /nfs/dbraw/zinc/45/08/83/358450883.db2.gz DTYYBLQSTDWJSS-NSHDSACASA-N 1 2 323.271 2.435 20 5 DEBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595446845 358450887 /nfs/dbraw/zinc/45/08/87/358450887.db2.gz DTYYBLQSTDWJSS-NSHDSACASA-N 1 2 323.271 2.435 20 5 DEBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000595861092 358566406 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DEBDLO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741146410 647318251 /nfs/dbraw/zinc/31/82/51/647318251.db2.gz JDIGNJXCQPQJLI-CYBMUJFWSA-N 1 2 308.334 2.131 20 5 DEBDLO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741146410 647318255 /nfs/dbraw/zinc/31/82/55/647318255.db2.gz JDIGNJXCQPQJLI-CYBMUJFWSA-N 1 2 308.334 2.131 20 5 DEBDLO C[C@@H]1C[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000731210037 647457864 /nfs/dbraw/zinc/45/78/64/647457864.db2.gz KLZRHPPVINKUAI-SNVBAGLBSA-N 1 2 322.390 2.337 20 5 DEBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000731210037 647457865 /nfs/dbraw/zinc/45/78/65/647457865.db2.gz KLZRHPPVINKUAI-SNVBAGLBSA-N 1 2 322.390 2.337 20 5 DEBDLO O=C(Cc1[nH]cc[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000830731983 649488607 /nfs/dbraw/zinc/48/86/07/649488607.db2.gz LQCNXRABHYRGJB-UHFFFAOYSA-N 1 2 300.318 2.052 20 5 DEBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnnn1C1CC1 ZINC000848546826 651469251 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868430550 688011241 /nfs/dbraw/zinc/01/12/41/688011241.db2.gz RTMRRIIJHCEJRA-ONEGZZNKSA-N 1 2 319.361 2.039 20 5 DEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1(CO)CC1 ZINC000930466503 694168480 /nfs/dbraw/zinc/16/84/80/694168480.db2.gz YJGDXHKNJNMBIT-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1(CO)CC1 ZINC000930466503 694168482 /nfs/dbraw/zinc/16/84/82/694168482.db2.gz YJGDXHKNJNMBIT-UHFFFAOYSA-N 1 2 315.167 2.314 20 5 DEBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nncn1C ZINC000872020138 688914632 /nfs/dbraw/zinc/91/46/32/688914632.db2.gz DJEMFQCFEJACQZ-SECBINFHSA-N 1 2 307.379 2.296 20 5 DEBDLO C[C@H](N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051976 688919717 /nfs/dbraw/zinc/91/97/17/688919717.db2.gz LUTUCRQXXZVEQV-COPLHBTASA-N 1 2 311.357 2.104 20 5 DEBDLO C[C@H](N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051976 688919721 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2.033 20 5 DEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C)CC1 ZINC000932344671 694597266 /nfs/dbraw/zinc/59/72/66/694597266.db2.gz UOFQGAYWZBLRCL-RYUDHWBXSA-N 1 2 307.350 2.033 20 5 DEBDLO O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001350613371 1151374950 /nfs/dbraw/zinc/37/49/50/1151374950.db2.gz VZQBSQBXHOWZJG-UHFFFAOYSA-N 1 2 309.285 2.428 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933678788 777205641 /nfs/dbraw/zinc/20/56/41/777205641.db2.gz IYMMVHODHASWOA-CABCVRRESA-N 1 2 306.362 2.365 20 5 DEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933678788 777205650 /nfs/dbraw/zinc/20/56/50/777205650.db2.gz IYMMVHODHASWOA-CABCVRRESA-N 1 2 306.362 2.365 20 5 DEBDLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900887 793523243 /nfs/dbraw/zinc/52/32/43/793523243.db2.gz HOYSUQFLNWUJNP-SMDDNHRTSA-N 1 2 306.362 2.383 20 5 DEBDLO O=[N+]([O-])c1c2nsnc2ccc1NCCCn1cc[nH+]c1 ZINC001161688012 798911347 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CC[C@H](C[N+](=O)[O-])OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001526648301 1070328971 /nfs/dbraw/zinc/32/89/71/1070328971.db2.gz DYPMNRQALGDJKV-OAHLLOKOSA-N 1 2 317.345 2.072 20 5 DEBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC001464293837 1059108838 /nfs/dbraw/zinc/10/88/38/1059108838.db2.gz GPJSYNYMFLYSLY-ZWKOPEQDSA-N 1 2 300.318 2.299 20 5 DEBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001464293837 1059108852 /nfs/dbraw/zinc/10/88/52/1059108852.db2.gz GPJSYNYMFLYSLY-ZWKOPEQDSA-N 1 2 300.318 2.299 20 5 DEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001465749241 1059358170 /nfs/dbraw/zinc/35/81/70/1059358170.db2.gz RAZVUCFUWMHFHE-UHFFFAOYSA-N 1 2 318.333 2.263 20 5 DEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc[nH+]c1N ZINC001466250663 1059441418 /nfs/dbraw/zinc/44/14/18/1059441418.db2.gz OFNFLYVPKXPNDU-UHFFFAOYSA-N 1 2 301.306 2.202 20 5 DEBDLO Cc1[nH]c(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)[nH+]c1C ZINC001638492723 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C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC000595468792 358457226 /nfs/dbraw/zinc/45/72/26/358457226.db2.gz MACBPHQVPUAOPS-NHYWBVRUSA-N 1 2 310.325 2.114 20 5 DEBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172018751 198026721 /nfs/dbraw/zinc/02/67/21/198026721.db2.gz JOXGJEDWVUXNRW-ZDUSSCGKSA-N 1 2 323.780 2.491 20 5 DEBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172018751 198026723 /nfs/dbraw/zinc/02/67/23/198026723.db2.gz JOXGJEDWVUXNRW-ZDUSSCGKSA-N 1 2 323.780 2.491 20 5 DEBDLO CCc1nnc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000332002571 234373524 /nfs/dbraw/zinc/37/35/24/234373524.db2.gz ZSVQISSMRZGTFZ-JTQLQIEISA-N 1 2 320.353 2.135 20 5 DEBDLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182168009 199397058 /nfs/dbraw/zinc/39/70/58/199397058.db2.gz MQPDQJBPVUVYFV-GFCCVEGCSA-N 1 2 312.391 2.100 20 5 DEBDLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182168009 199397059 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O=[N+]([O-])c1cncc(Cl)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000589103412 357443283 /nfs/dbraw/zinc/44/32/83/357443283.db2.gz XBSYNGBQWVIDKI-UHFFFAOYSA-N 1 2 319.752 2.365 20 5 DEBDLO Cc1nn(C)c(NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000590567410 357557781 /nfs/dbraw/zinc/55/77/81/357557781.db2.gz BVJGCBQKMUMCRL-UHFFFAOYSA-N 1 2 317.340 2.026 20 5 DEBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593057679 357997500 /nfs/dbraw/zinc/99/75/00/357997500.db2.gz WITZUOLFXRSVPR-ZDUSSCGKSA-N 1 2 321.377 2.083 20 5 DEBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593057679 357997502 /nfs/dbraw/zinc/99/75/02/357997502.db2.gz WITZUOLFXRSVPR-ZDUSSCGKSA-N 1 2 321.377 2.083 20 5 DEBDLO CN(C)C(=O)OC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000495797518 283329914 /nfs/dbraw/zinc/32/99/14/283329914.db2.gz FKRXRNBKNNZJLC-UHFFFAOYSA-N 1 2 313.379 2.319 20 5 DEBDLO Cc1noc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1[N+](=O)[O-] ZINC000595419256 358443150 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DEBDLO CCNC(=O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611262364 361564867 /nfs/dbraw/zinc/56/48/67/361564867.db2.gz LNTWNBYWLKULDL-UHFFFAOYSA-N 1 2 317.345 2.423 20 5 DEBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611262364 361564871 /nfs/dbraw/zinc/56/48/71/361564871.db2.gz LNTWNBYWLKULDL-UHFFFAOYSA-N 1 2 317.345 2.423 20 5 DEBDLO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611521416 361620947 /nfs/dbraw/zinc/62/09/47/361620947.db2.gz DVSBWEVVQROFJU-MRXNPFEDSA-N 1 2 322.361 2.223 20 5 DEBDLO CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611521416 361620950 /nfs/dbraw/zinc/62/09/50/361620950.db2.gz DVSBWEVVQROFJU-MRXNPFEDSA-N 1 2 322.361 2.223 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000611574380 361636284 /nfs/dbraw/zinc/63/62/84/361636284.db2.gz CLVFPHUNYZJQCS-HNNXBMFYSA-N 1 2 322.361 2.391 20 5 DEBDLO COC(=O)[C@@H]1CCCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000611574380 361636288 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ZINC001347657747 1151088249 /nfs/dbraw/zinc/08/82/49/1151088249.db2.gz FLJVXGOWAPGVRT-NSHDSACASA-N 1 2 300.318 2.301 20 5 DEBDLO Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001171897687 793243828 /nfs/dbraw/zinc/24/38/28/793243828.db2.gz JLSDJGVUDZFJMB-VXGBXAGGSA-N 1 2 300.318 2.046 20 5 DEBDLO Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC001171897687 793243833 /nfs/dbraw/zinc/24/38/33/793243833.db2.gz JLSDJGVUDZFJMB-VXGBXAGGSA-N 1 2 300.318 2.046 20 5 DEBDLO [CH2]CC[N@H+](CC[NH3+])[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181582 793620292 /nfs/dbraw/zinc/62/02/92/793620292.db2.gz GIXWMNQCYYEQFR-NSHDSACASA-N 1 2 312.365 2.158 20 5 DEBDLO [CH2]CC[N@@H+](CC[NH3+])[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181582 793620296 /nfs/dbraw/zinc/62/02/96/793620296.db2.gz GIXWMNQCYYEQFR-NSHDSACASA-N 1 2 312.365 2.158 20 5 DEBDLO C[C@@H](C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2)[NH+](C)C ZINC001180862319 795385099 /nfs/dbraw/zinc/38/50/99/795385099.db2.gz MPQKNXHOTCUVGL-NSHDSACASA-N 1 2 309.369 2.279 20 5 DEBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001195677616 797936923 /nfs/dbraw/zinc/93/69/23/797936923.db2.gz ORHZMRRYKFTSJH-OAHLLOKOSA-N 1 2 307.394 2.463 20 5 DEBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001195677616 797936930 /nfs/dbraw/zinc/93/69/30/797936930.db2.gz ORHZMRRYKFTSJH-OAHLLOKOSA-N 1 2 307.394 2.463 20 5 DEBDLO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001162832552 799185438 /nfs/dbraw/zinc/18/54/38/799185438.db2.gz DTLVAUJKNPFHKL-HNNXBMFYSA-N 1 2 319.361 2.095 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)c1 ZINC000933667188 800154518 /nfs/dbraw/zinc/15/45/18/800154518.db2.gz PFVVLBQOVLZYLL-GDBMZVCRSA-N 1 2 306.362 2.222 20 5 DEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)c1 ZINC000933667188 800154521 /nfs/dbraw/zinc/15/45/21/800154521.db2.gz PFVVLBQOVLZYLL-GDBMZVCRSA-N 1 2 306.362 2.222 20 5 DEBDLO CC(C)(C)[NH+]1CC(Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229364229 801263337 /nfs/dbraw/zinc/26/33/37/801263337.db2.gz IILOHIADOISZET-UHFFFAOYSA-N 1 2 318.333 2.105 20 5 DEBDLO O=[N+]([O-])c1ccc2nc(O[C@@H]3C[NH2+]CC3(F)F)sc2c1 ZINC001218232613 802158041 /nfs/dbraw/zinc/15/80/41/802158041.db2.gz DXAZJPZIHWZVCP-SECBINFHSA-N 1 2 301.274 2.190 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3Cl)[C@H]1CC(=O)C2 ZINC001225786946 803013174 /nfs/dbraw/zinc/01/31/74/803013174.db2.gz ZRRCUYIZVVACPV-KDDOJWQBSA-N 1 2 310.737 2.431 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3Cl)[C@H]1CC(=O)C2 ZINC001225786946 803013180 /nfs/dbraw/zinc/01/31/80/803013180.db2.gz ZRRCUYIZVVACPV-KDDOJWQBSA-N 1 2 310.737 2.431 20 5 DEBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])cc(F)c3F)[C@H]1CC(=O)C2 ZINC001228017297 803308221 /nfs/dbraw/zinc/30/82/21/803308221.db2.gz VHEQMFDKERLMIQ-BPTDKIDVSA-N 1 2 312.272 2.056 20 5 DEBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])cc(F)c3F)[C@H]1CC(=O)C2 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198310230 /nfs/dbraw/zinc/31/02/30/198310230.db2.gz FQNHXYXIAWWULB-OAHLLOKOSA-N 1 2 322.361 2.390 20 5 DEBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000617883377 363298028 /nfs/dbraw/zinc/29/80/28/363298028.db2.gz FLUJWKGJMSFCBW-ZDSWACCBSA-N 1 2 308.403 2.451 20 5 DEBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000617883377 363298032 /nfs/dbraw/zinc/29/80/32/363298032.db2.gz FLUJWKGJMSFCBW-ZDSWACCBSA-N 1 2 308.403 2.451 20 5 DEBDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042133675 354190026 /nfs/dbraw/zinc/19/00/26/354190026.db2.gz LYUHXDIFPHCYHO-UHFFFAOYSA-N 1 2 320.393 2.174 20 5 DEBDLO C[NH+]1CCN(CCCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000075669949 355100607 /nfs/dbraw/zinc/10/06/07/355100607.db2.gz TVOQCALLZPXBLC-UHFFFAOYSA-N 1 2 310.373 2.173 20 5 DEBDLO Cc1cc(C(=O)NCCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000139798985 355879713 /nfs/dbraw/zinc/87/97/13/355879713.db2.gz HVLGTXKSBDZDCD-UHFFFAOYSA-N 1 2 302.334 2.310 20 5 DEBDLO 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