smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C[C@](C)(CO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460693205 1126191730 /nfs/dbraw/zinc/19/17/30/1126191730.db2.gz DIVNNYQAZSFROY-OAQYLSRUSA-N 0 1 397.431 3.342 10 5 GGBEMN C[C@@](CO)(Cc1ccc(F)cc1)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001655735739 1126255878 /nfs/dbraw/zinc/25/58/78/1126255878.db2.gz HLYVQKDIGDEQKC-FQEVSTJZSA-N 0 1 385.395 3.472 10 5 GGBEMN COc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC000007344087 204240018 /nfs/dbraw/zinc/24/00/18/204240018.db2.gz YZWVQEBOBWVKDV-UHFFFAOYSA-N 0 1 388.405 3.219 10 5 GGBEMN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000065550091 205237756 /nfs/dbraw/zinc/23/77/56/205237756.db2.gz AUOHDGYPOJVBSW-STQMWFEESA-N 0 1 378.182 3.240 10 5 GGBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000225400951 206044919 /nfs/dbraw/zinc/04/49/19/206044919.db2.gz ALIIUGKTORWBID-BPLDGKMQSA-N 0 1 394.353 3.424 10 5 GGBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000225400991 206046275 /nfs/dbraw/zinc/04/62/75/206046275.db2.gz ALIIUGKTORWBID-YUELXQCFSA-N 0 1 394.353 3.424 10 5 GGBEMN O=[N+]([O-])c1ccc(CNCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000119722915 564285208 /nfs/dbraw/zinc/28/52/08/564285208.db2.gz OQJKCERKSNEOHA-UHFFFAOYSA-N 0 1 388.225 3.432 10 5 GGBEMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000026712490 564349007 /nfs/dbraw/zinc/34/90/07/564349007.db2.gz MBFUBPDWCZWABH-TZMCWYRMSA-N 0 1 395.253 3.448 10 5 GGBEMN CCOc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000106233447 564980306 /nfs/dbraw/zinc/98/03/06/564980306.db2.gz BBYZZEMBKMAXMW-UHFFFAOYSA-N 0 1 388.804 3.265 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)s1 ZINC000156379199 565084207 /nfs/dbraw/zinc/08/42/07/565084207.db2.gz ZOCMVAKOOIKAGE-UHFFFAOYSA-N 0 1 399.194 3.498 10 5 GGBEMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1C ZINC000292746628 565131842 /nfs/dbraw/zinc/13/18/42/565131842.db2.gz HRAUMVDXOBHUPT-NSHDSACASA-N 0 1 395.384 3.250 10 5 GGBEMN Cc1c(Br)cc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000184555715 565143933 /nfs/dbraw/zinc/14/39/33/565143933.db2.gz XJVDKWDPULLYRO-UHFFFAOYSA-N 0 1 380.202 3.304 10 5 GGBEMN Cc1c(Br)cc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC000184555715 565143935 /nfs/dbraw/zinc/14/39/35/565143935.db2.gz XJVDKWDPULLYRO-UHFFFAOYSA-N 0 1 380.202 3.304 10 5 GGBEMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1ccccc1O ZINC000159651797 565214190 /nfs/dbraw/zinc/21/41/90/565214190.db2.gz WTUHEXCEZTTWMO-UHFFFAOYSA-N 0 1 391.232 3.128 10 5 GGBEMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCN1C ZINC000295192250 565250264 /nfs/dbraw/zinc/25/02/64/565250264.db2.gz JPKWPNPHYLJXRB-UWVGGRQHSA-N 0 1 396.296 3.005 10 5 GGBEMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCN1C ZINC000295192248 565250440 /nfs/dbraw/zinc/25/04/40/565250440.db2.gz JPKWPNPHYLJXRB-NXEZZACHSA-N 0 1 396.296 3.005 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000186277279 565251089 /nfs/dbraw/zinc/25/10/89/565251089.db2.gz QZPKTYPDHYSLFG-JTQLQIEISA-N 0 1 380.369 3.281 10 5 GGBEMN CCc1noc(C)c1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296954829 565347720 /nfs/dbraw/zinc/34/77/20/565347720.db2.gz HICRVKCCSCMMSJ-UHFFFAOYSA-N 0 1 394.236 3.239 10 5 GGBEMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000174262500 565626113 /nfs/dbraw/zinc/62/61/13/565626113.db2.gz XONQQGYESDHDJK-QHCPKHFHSA-N 0 1 388.854 3.095 10 5 GGBEMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n[nH]1 ZINC000280820009 565697852 /nfs/dbraw/zinc/69/78/52/565697852.db2.gz TZYDBDWFMSARPN-MRVPVSSYSA-N 0 1 396.245 3.450 10 5 GGBEMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n[nH]1 ZINC000280820013 565698192 /nfs/dbraw/zinc/69/81/92/565698192.db2.gz TZYDBDWFMSARPN-QMMMGPOBSA-N 0 1 396.245 3.450 10 5 GGBEMN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[nH]1 ZINC000285389546 565904861 /nfs/dbraw/zinc/90/48/61/565904861.db2.gz UZZTWXMVNLLVSL-QMMMGPOBSA-N 0 1 381.230 3.058 10 5 GGBEMN Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000181030122 566106821 /nfs/dbraw/zinc/10/68/21/566106821.db2.gz JGHTVVRFPXPYBH-UHFFFAOYSA-N 0 1 389.213 3.458 10 5 GGBEMN Cc1cc([N+](=O)[O-])cnc1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000181030122 566106825 /nfs/dbraw/zinc/10/68/25/566106825.db2.gz JGHTVVRFPXPYBH-UHFFFAOYSA-N 0 1 389.213 3.458 10 5 GGBEMN CC[C@@H](NCC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000181534449 566148495 /nfs/dbraw/zinc/14/84/95/566148495.db2.gz IINQNQAHEHRKFT-CQSZACIVSA-N 0 1 393.241 3.432 10 5 GGBEMN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000182176396 566188131 /nfs/dbraw/zinc/18/81/31/566188131.db2.gz ZFXCSVSNFUHWIX-OLZOCXBDSA-N 0 1 395.253 3.448 10 5 GGBEMN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)s1 ZINC000182958134 566232025 /nfs/dbraw/zinc/23/20/25/566232025.db2.gz ATNBUHGHAYUBRV-QMMMGPOBSA-N 0 1 383.813 3.328 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)C(F)F)s1 ZINC000599414475 566262024 /nfs/dbraw/zinc/26/20/24/566262024.db2.gz FDFPUELQPUGMAK-LLVKDONJSA-N 0 1 376.406 3.201 10 5 GGBEMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000462313933 566281391 /nfs/dbraw/zinc/28/13/91/566281391.db2.gz MGKNDKWIRHYZNA-ONGXEEELSA-N 0 1 396.296 3.005 10 5 GGBEMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000462313932 566281537 /nfs/dbraw/zinc/28/15/37/566281537.db2.gz MGKNDKWIRHYZNA-MWLCHTKSSA-N 0 1 396.296 3.005 10 5 GGBEMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556350929 566288290 /nfs/dbraw/zinc/28/82/90/566288290.db2.gz DKDBWRJZVRPCDI-UHFFFAOYSA-N 0 1 399.222 3.361 10 5 GGBEMN COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462410666 566297953 /nfs/dbraw/zinc/29/79/53/566297953.db2.gz VPPFFRPRDNAMKM-SECBINFHSA-N 0 1 388.804 3.435 10 5 GGBEMN CC[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715926 566308124 /nfs/dbraw/zinc/30/81/24/566308124.db2.gz BMIGSOUIWLZPEW-UWVGGRQHSA-N 0 1 383.253 3.138 10 5 GGBEMN CC[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715929 566308385 /nfs/dbraw/zinc/30/83/85/566308385.db2.gz BMIGSOUIWLZPEW-ZJUUUORDSA-N 0 1 383.253 3.138 10 5 GGBEMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2CN(C)C3)cc1[N+](=O)[O-] ZINC000427782915 566797557 /nfs/dbraw/zinc/79/75/57/566797557.db2.gz LJOFOOHZPNBZMH-UHFFFAOYSA-N 0 1 381.841 3.303 10 5 GGBEMN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1nc2ccc(Br)cc2[nH]1 ZINC000542710288 566819093 /nfs/dbraw/zinc/81/90/93/566819093.db2.gz HLGWLEFFYXARCA-UHFFFAOYSA-N 0 1 383.589 3.097 10 5 GGBEMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000434505875 567312948 /nfs/dbraw/zinc/31/29/48/567312948.db2.gz SKMUDMUHWPWOAG-UHFFFAOYSA-N 0 1 381.230 3.223 10 5 GGBEMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC000435176802 567345633 /nfs/dbraw/zinc/34/56/33/567345633.db2.gz KICPLOPKIVJERU-UHFFFAOYSA-N 0 1 380.813 3.244 10 5 GGBEMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCc1ccccn1 ZINC000435222026 567351156 /nfs/dbraw/zinc/35/11/56/567351156.db2.gz GIHRIOIFNKUTSD-UHFFFAOYSA-N 0 1 390.248 3.208 10 5 GGBEMN CS(=O)(=O)c1cccc(OCCSCc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000593188693 567393702 /nfs/dbraw/zinc/39/37/02/567393702.db2.gz APIPHKVCSLXBTJ-UHFFFAOYSA-N 0 1 383.447 3.016 10 5 GGBEMN O=[N+]([O-])c1ccc(O)cc1CN(CCO)Cc1ccc(Br)s1 ZINC000549610445 567402055 /nfs/dbraw/zinc/40/20/55/567402055.db2.gz MFPCDLBIFVBEHK-UHFFFAOYSA-N 0 1 387.255 3.119 10 5 GGBEMN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000569632789 567418136 /nfs/dbraw/zinc/41/81/36/567418136.db2.gz MJJUWFAUPNADTD-UHFFFAOYSA-N 0 1 393.165 3.436 10 5 GGBEMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(Br)cc2nc[nH]c21 ZINC000503548494 567494303 /nfs/dbraw/zinc/49/43/03/567494303.db2.gz NVBCGDXSEABTDG-UHFFFAOYSA-N 0 1 389.209 3.206 10 5 GGBEMN O=C(c1cc(Br)cc2nc[nH]c21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000503637467 567497477 /nfs/dbraw/zinc/49/74/77/567497477.db2.gz RZMKTJGINKQHAX-UHFFFAOYSA-N 0 1 387.193 3.437 10 5 GGBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000594782631 567511497 /nfs/dbraw/zinc/51/14/97/567511497.db2.gz GETOHJFPCKDREX-TZMCWYRMSA-N 0 1 381.841 3.258 10 5 GGBEMN O=C(NCc1cc(F)cc(Br)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000551722013 567531159 /nfs/dbraw/zinc/53/11/59/567531159.db2.gz RTYFNSKGEDCQPT-UHFFFAOYSA-N 0 1 393.172 3.303 10 5 GGBEMN Cc1c(CNC(=O)c2cc(Br)cc3nc[nH]c32)cccc1[N+](=O)[O-] ZINC000505077323 567556990 /nfs/dbraw/zinc/55/69/90/567556990.db2.gz WZNDAWUUPLWBQR-UHFFFAOYSA-N 0 1 389.209 3.472 10 5 GGBEMN C[NH+](C)Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Br ZINC000552187487 567565943 /nfs/dbraw/zinc/56/59/43/567565943.db2.gz ZVHKUMQWFNWKCR-UHFFFAOYSA-N 0 1 394.225 3.377 10 5 GGBEMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-c2nnc[nH]2)c1 ZINC000552396922 567587800 /nfs/dbraw/zinc/58/78/00/567587800.db2.gz KOIQBAUZJJNTMI-UHFFFAOYSA-N 0 1 388.181 3.395 10 5 GGBEMN O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505919521 567604109 /nfs/dbraw/zinc/60/41/09/567604109.db2.gz RZWOPUWCYHUYHM-OAHLLOKOSA-N 0 1 377.194 3.480 10 5 GGBEMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000552743516 567606646 /nfs/dbraw/zinc/60/66/46/567606646.db2.gz OSTHFSQQEBRCLJ-UHFFFAOYSA-N 0 1 388.181 3.395 10 5 GGBEMN CCc1nc(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000596206671 567616132 /nfs/dbraw/zinc/61/61/32/567616132.db2.gz HKNZETBAEFWHJD-UHFFFAOYSA-N 0 1 380.246 3.422 10 5 GGBEMN CCc1nnc(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000596206671 567616138 /nfs/dbraw/zinc/61/61/38/567616138.db2.gz HKNZETBAEFWHJD-UHFFFAOYSA-N 0 1 380.246 3.422 10 5 GGBEMN COC(=O)c1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000508115434 567731533 /nfs/dbraw/zinc/73/15/33/567731533.db2.gz IQRHMTUOMPREKB-UHFFFAOYSA-N 0 1 390.826 3.206 10 5 GGBEMN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)CCc2cccs2)c1 ZINC000555122625 567770413 /nfs/dbraw/zinc/77/04/13/567770413.db2.gz YZEJETYFKGRPND-UHFFFAOYSA-N 0 1 391.268 3.403 10 5 GGBEMN CC1(N2CCOCC2)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000599160122 567807918 /nfs/dbraw/zinc/80/79/18/567807918.db2.gz GHTKLWYSSQXQMR-UHFFFAOYSA-N 0 1 384.274 3.048 10 5 GGBEMN COc1cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1O ZINC000108387020 570987560 /nfs/dbraw/zinc/98/75/60/570987560.db2.gz XVSDSDDONJXPEG-STQMWFEESA-N 0 1 395.456 3.139 10 5 GGBEMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012746343 570989929 /nfs/dbraw/zinc/98/99/29/570989929.db2.gz BEYHXNDJGSIWKS-UHFFFAOYSA-N 0 1 384.367 3.093 10 5 GGBEMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ncccc12 ZINC000029871590 1400369411 /nfs/dbraw/zinc/36/94/11/1400369411.db2.gz OYVWTUISPNPMGK-UHFFFAOYSA-N 0 1 390.443 3.400 10 5 GGBEMN CCc1cc(N2CCN([C@H]3CCSC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079076559 1409955244 /nfs/dbraw/zinc/95/52/44/1409955244.db2.gz OIBIFFBQOWHMDO-SFHVURJKSA-N 0 1 399.520 3.242 10 5 GGBEMN COCCN(C)C[C@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095944988 1410316384 /nfs/dbraw/zinc/31/63/84/1410316384.db2.gz PDEAYAVHGDKZMM-LJQANCHMSA-N 0 1 397.475 3.373 10 5 GGBEMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116446710 1412861647 /nfs/dbraw/zinc/86/16/47/1412861647.db2.gz FOKVFMRYOSKDJF-NEPJUHHUSA-N 0 1 385.330 3.400 10 5 GGBEMN C[C@H]1CN(c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000121892703 1414295423 /nfs/dbraw/zinc/29/54/23/1414295423.db2.gz DIAXTTAZRTYFJP-KBPBESRZSA-N 0 1 391.449 3.009 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c(C(F)(F)F)c1 ZINC000179010009 1429242222 /nfs/dbraw/zinc/24/22/22/1429242222.db2.gz FFMHZKDXZXHIOF-UHFFFAOYSA-N 0 1 388.323 3.349 10 5 GGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180834264 1430062983 /nfs/dbraw/zinc/06/29/83/1430062983.db2.gz BFAKQCDFGMRBMG-HNNXBMFYSA-N 0 1 379.420 3.378 10 5 GGBEMN Cc1nc2c(n1[C@H]1CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C1)CCCC2 ZINC000275246224 1435125405 /nfs/dbraw/zinc/12/54/05/1435125405.db2.gz GRPVAYVLQXOODA-DVQDXYAYSA-N 0 1 380.448 3.465 10 5 GGBEMN COc1cc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC001198230862 1126155800 /nfs/dbraw/zinc/15/58/00/1126155800.db2.gz SNFFHSQXFPEJBS-GOSISDBHSA-N 0 1 382.819 3.479 10 5 GGBEMN C[C@](CO)(Cc1ccccc1F)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460873919 1126193565 /nfs/dbraw/zinc/19/35/65/1126193565.db2.gz ZKWDJSHXJUPWJU-HXUWFJFHSA-N 0 1 385.395 3.472 10 5 GGBEMN COc1ccc(C[C@@](C)(CO)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC001648470558 1126251032 /nfs/dbraw/zinc/25/10/32/1126251032.db2.gz XZYLVKYPTQKFEK-IBGZPJMESA-N 0 1 394.855 3.349 10 5 GGBEMN C[C@](CO)(Cc1ccc(F)cc1)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001655735741 1126255922 /nfs/dbraw/zinc/25/59/22/1126255922.db2.gz HLYVQKDIGDEQKC-HXUWFJFHSA-N 0 1 385.395 3.472 10 5 GGBEMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001656293075 1126257360 /nfs/dbraw/zinc/25/73/60/1126257360.db2.gz IUZHYANPSKAUMD-KRWDZBQOSA-N 0 1 379.800 3.240 10 5 GGBEMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ccncc21 ZINC000012643468 206922824 /nfs/dbraw/zinc/92/28/24/206922824.db2.gz JLRSAVFFALTQCF-UHFFFAOYSA-N 0 1 390.443 3.400 10 5 GGBEMN CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020849795 207215023 /nfs/dbraw/zinc/21/50/23/207215023.db2.gz AZGALPYCJABOTD-CQSZACIVSA-N 0 1 389.437 3.150 10 5 GGBEMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000021018382 207224399 /nfs/dbraw/zinc/22/43/99/207224399.db2.gz OCOFLQXAOJNGOK-UHFFFAOYSA-N 0 1 394.387 3.353 10 5 GGBEMN Cc1cc(C[C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000127872543 564599312 /nfs/dbraw/zinc/59/93/12/564599312.db2.gz CVDWBDGOQVGXSJ-QMMMGPOBSA-N 0 1 381.230 3.058 10 5 GGBEMN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000135270114 564825954 /nfs/dbraw/zinc/82/59/54/564825954.db2.gz SHLUNEQJAMSHQF-UHFFFAOYSA-N 0 1 393.119 3.029 10 5 GGBEMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000114107046 565072268 /nfs/dbraw/zinc/07/22/68/565072268.db2.gz SPIJUAWPIJOHPS-UHFFFAOYSA-N 0 1 388.181 3.395 10 5 GGBEMN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000161667545 565290431 /nfs/dbraw/zinc/29/04/31/565290431.db2.gz NCSDRZCIEKRFBC-UHFFFAOYSA-N 0 1 388.225 3.187 10 5 GGBEMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)nc1 ZINC000171233211 565420363 /nfs/dbraw/zinc/42/03/63/565420363.db2.gz PDUNFOXRWJQCSC-UHFFFAOYSA-N 0 1 375.186 3.150 10 5 GGBEMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)nc1 ZINC000171233211 565420368 /nfs/dbraw/zinc/42/03/68/565420368.db2.gz PDUNFOXRWJQCSC-UHFFFAOYSA-N 0 1 375.186 3.150 10 5 GGBEMN O=[N+]([O-])c1cccnc1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000171233221 565420597 /nfs/dbraw/zinc/42/05/97/565420597.db2.gz MFGBMALUPUQAGZ-UHFFFAOYSA-N 0 1 375.186 3.150 10 5 GGBEMN O=[N+]([O-])c1cccnc1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000171233221 565420603 /nfs/dbraw/zinc/42/06/03/565420603.db2.gz MFGBMALUPUQAGZ-UHFFFAOYSA-N 0 1 375.186 3.150 10 5 GGBEMN O=C(NCc1ccccc1[N+](=O)[O-])c1n[nH]c2ccc(Br)cc21 ZINC000171961812 565460769 /nfs/dbraw/zinc/46/07/69/565460769.db2.gz QQMITBGVNYDNJQ-UHFFFAOYSA-N 0 1 375.182 3.164 10 5 GGBEMN Cc1cc(N2CCC(N3CCO[C@@H](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302663004 565548749 /nfs/dbraw/zinc/54/87/49/565548749.db2.gz IUQLSHFEXOJLEK-ZDUSSCGKSA-N 0 1 398.301 3.355 10 5 GGBEMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383962 565606166 /nfs/dbraw/zinc/60/61/66/565606166.db2.gz FAGSIBVSWCGLGK-AAEUAGOBSA-N 0 1 382.258 3.056 10 5 GGBEMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)n1 ZINC000191571281 565614916 /nfs/dbraw/zinc/61/49/16/565614916.db2.gz YZYATLSYUZNSDA-UHFFFAOYSA-N 0 1 378.801 3.235 10 5 GGBEMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000174262517 565626238 /nfs/dbraw/zinc/62/62/38/565626238.db2.gz XONQQGYESDHDJK-HSZRJFAPSA-N 0 1 388.854 3.095 10 5 GGBEMN COC(=O)c1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c(C)s1 ZINC000414453355 565935930 /nfs/dbraw/zinc/93/59/30/565935930.db2.gz BIENVVLWNHPCPX-UHFFFAOYSA-N 0 1 384.435 3.169 10 5 GGBEMN COc1ccc(CN[C@@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000286636993 565971751 /nfs/dbraw/zinc/97/17/51/565971751.db2.gz SUUDOLNJVUDEDQ-KRWDZBQOSA-N 0 1 395.253 3.363 10 5 GGBEMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000364659803 566062225 /nfs/dbraw/zinc/06/22/25/566062225.db2.gz PYKFLDFOYBNVEG-UHFFFAOYSA-N 0 1 380.857 3.470 10 5 GGBEMN O=[N+]([O-])c1cc(CN[C@H](c2nnc[nH]2)c2ccccc2)ccc1Br ZINC000364680315 566063930 /nfs/dbraw/zinc/06/39/30/566063930.db2.gz XBLXOBVPEVLQBV-HNNXBMFYSA-N 0 1 388.225 3.355 10 5 GGBEMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181345053 566133852 /nfs/dbraw/zinc/13/38/52/566133852.db2.gz LZIDWMXDEIYYEC-UHFFFAOYSA-N 0 1 375.328 3.426 10 5 GGBEMN Cc1c(Br)cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000181368386 566137578 /nfs/dbraw/zinc/13/75/78/566137578.db2.gz OFYLGKRBEXDZHM-GFCCVEGCSA-N 0 1 394.229 3.151 10 5 GGBEMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182569619 566212614 /nfs/dbraw/zinc/21/26/14/566212614.db2.gz OFSMCAKTLSRIMP-SNVBAGLBSA-N 0 1 378.226 3.307 10 5 GGBEMN Cc1c(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977486 566226641 /nfs/dbraw/zinc/22/66/41/566226641.db2.gz QHSOZLDIAGYKFI-SNVBAGLBSA-N 0 1 394.229 3.068 10 5 GGBEMN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000481885242 566261208 /nfs/dbraw/zinc/26/12/08/566261208.db2.gz GEMSQDKMMYHBIA-UHFFFAOYSA-N 0 1 375.859 3.172 10 5 GGBEMN Cc1c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cccc1[N+](=O)[O-] ZINC000534941901 566265378 /nfs/dbraw/zinc/26/53/78/566265378.db2.gz GPYBZVFJBLMPOO-UHFFFAOYSA-N 0 1 384.797 3.129 10 5 GGBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599466678 566267418 /nfs/dbraw/zinc/26/74/18/566267418.db2.gz LMQZOVVJAAVDLM-COLVAYQJSA-N 0 1 382.800 3.004 10 5 GGBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599466681 566267618 /nfs/dbraw/zinc/26/76/18/566267618.db2.gz LMQZOVVJAAVDLM-WKPIXPDZSA-N 0 1 382.800 3.004 10 5 GGBEMN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000556350281 566289466 /nfs/dbraw/zinc/28/94/66/566289466.db2.gz ZZEKQAOAQOGIRN-UHFFFAOYSA-N 0 1 375.175 3.297 10 5 GGBEMN Cc1nc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])c(C)c2Br)n[nH]1 ZINC000509512080 566312401 /nfs/dbraw/zinc/31/24/01/566312401.db2.gz PQMOOFUJQANDIH-JTQLQIEISA-N 0 1 381.234 3.219 10 5 GGBEMN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462615208 566333567 /nfs/dbraw/zinc/33/35/67/566333567.db2.gz KQISPDWGZPPOJM-GFCCVEGCSA-N 0 1 386.861 3.028 10 5 GGBEMN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(Br)cc2nc[nH]c21 ZINC000576293615 566333627 /nfs/dbraw/zinc/33/36/27/566333627.db2.gz GLZPXUZURNNSOJ-UHFFFAOYSA-N 0 1 375.182 3.164 10 5 GGBEMN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)c(Cl)c1 ZINC000600472734 566340193 /nfs/dbraw/zinc/34/01/93/566340193.db2.gz PHQCFEMDSSLJNL-AWEZNQCLSA-N 0 1 385.251 3.273 10 5 GGBEMN COc1cc(CN[C@@](C)(CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511587930 566473369 /nfs/dbraw/zinc/47/33/69/566473369.db2.gz MRWLQUOIDAKVNM-KRWDZBQOSA-N 0 1 395.253 3.363 10 5 GGBEMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485944111 566542961 /nfs/dbraw/zinc/54/29/61/566542961.db2.gz WFPIINKPKQNVJJ-SECBINFHSA-N 0 1 381.410 3.383 10 5 GGBEMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000580682803 566715261 /nfs/dbraw/zinc/71/52/61/566715261.db2.gz GOUJFMHARSTHKG-UHFFFAOYSA-N 0 1 375.328 3.372 10 5 GGBEMN Cc1c(Br)c(N[C@@H](c2nnc[nH]2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000489901621 566815949 /nfs/dbraw/zinc/81/59/49/566815949.db2.gz XCTMFSZZMFONPT-CYBMUJFWSA-N 0 1 389.213 3.380 10 5 GGBEMN COc1cnc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)c(Br)c1 ZINC000489965673 566819351 /nfs/dbraw/zinc/81/93/51/566819351.db2.gz MSIKAHZUBJPRGF-UHFFFAOYSA-N 0 1 384.186 3.087 10 5 GGBEMN COc1cc(Br)ccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428270275 566828255 /nfs/dbraw/zinc/82/82/55/566828255.db2.gz MNULLQYYVURGIN-UHFFFAOYSA-N 0 1 381.182 3.002 10 5 GGBEMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(Cl)cn1 ZINC000611416105 566917090 /nfs/dbraw/zinc/91/70/90/566917090.db2.gz AKJFFTNWRSLSPF-UHFFFAOYSA-N 0 1 396.639 3.429 10 5 GGBEMN Cc1c(Cl)cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000564403939 566972521 /nfs/dbraw/zinc/97/25/21/566972521.db2.gz KCNUPCCEJDVOKT-UHFFFAOYSA-N 0 1 398.750 3.110 10 5 GGBEMN CCn1cc(S(=O)(=O)Nc2cccc(C(F)F)c2Cl)c([N+](=O)[O-])n1 ZINC000544645805 566976479 /nfs/dbraw/zinc/97/64/79/566976479.db2.gz WAQLCZWAWVFWCX-UHFFFAOYSA-N 0 1 380.760 3.203 10 5 GGBEMN CC1(C)CC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000494335973 566990577 /nfs/dbraw/zinc/99/05/77/566990577.db2.gz ZUFMHAFVEGAXDV-SECBINFHSA-N 0 1 383.253 3.138 10 5 GGBEMN CCO[C@@H]1C[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592173267 567319593 /nfs/dbraw/zinc/31/95/93/567319593.db2.gz WPNWLXQEVPDVBH-BNOWGMLFSA-N 0 1 375.288 3.356 10 5 GGBEMN C[C@](CO)(NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000550098126 567427632 /nfs/dbraw/zinc/42/76/32/567427632.db2.gz ZBWMDSBJSKOJFU-MRXNPFEDSA-N 0 1 381.226 3.060 10 5 GGBEMN C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1Br ZINC000436841419 567455791 /nfs/dbraw/zinc/45/57/91/567455791.db2.gz RTOQHRINELRIHI-UHFFFAOYSA-N 0 1 394.225 3.377 10 5 GGBEMN C[NH+](C)Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC000436840967 567456718 /nfs/dbraw/zinc/45/67/18/567456718.db2.gz QMIMUEZSVNEFIP-UHFFFAOYSA-N 0 1 394.225 3.377 10 5 GGBEMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc2nc[nH]c21 ZINC000503157888 567470923 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O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCn3nccc32)c1 ZINC000601174602 566395506 /nfs/dbraw/zinc/39/55/06/566395506.db2.gz XKLDFIPEVCDNAN-ZDUSSCGKSA-N 0 1 398.204 3.021 10 5 GGBEMN COc1cc(CN[C@](C)(CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511587931 566473913 /nfs/dbraw/zinc/47/39/13/566473913.db2.gz MRWLQUOIDAKVNM-QGZVFWFLSA-N 0 1 395.253 3.363 10 5 GGBEMN CCN(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512539017 566541598 /nfs/dbraw/zinc/54/15/98/566541598.db2.gz NYIRUFHUUOABGE-CQSZACIVSA-N 0 1 383.495 3.018 10 5 GGBEMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1ccsc1 ZINC000513170731 566587120 /nfs/dbraw/zinc/58/71/20/566587120.db2.gz MFSGTDNGDUMRFH-UHFFFAOYSA-N 0 1 381.262 3.484 10 5 GGBEMN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nc2ccc(Br)cc2[nH]1 ZINC000579293812 566596932 /nfs/dbraw/zinc/59/69/32/566596932.db2.gz XDBIXQKKQRNUAE-UHFFFAOYSA-N 0 1 383.589 3.097 10 5 GGBEMN COc1cccc2c(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)n[nH]c21 ZINC000488349520 566721827 /nfs/dbraw/zinc/72/18/27/566721827.db2.gz DZLUUNCJKAAFES-UHFFFAOYSA-N 0 1 391.181 3.495 10 5 GGBEMN Cc1c(Br)c(NCc2ccc(F)c(CN(C)C)c2)ncc1[N+](=O)[O-] ZINC000541579409 566736172 /nfs/dbraw/zinc/73/61/72/566736172.db2.gz UEYJFQBAUYFRFH-UHFFFAOYSA-N 0 1 397.248 3.295 10 5 GGBEMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000608850873 566738056 /nfs/dbraw/zinc/73/80/56/566738056.db2.gz NIWQPUJXCVXMLQ-UHFFFAOYSA-N 0 1 384.797 3.129 10 5 GGBEMN CN(C)Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Br ZINC000469485565 566794159 /nfs/dbraw/zinc/79/41/59/566794159.db2.gz ICNRFJCYXWALGC-UHFFFAOYSA-N 0 1 394.225 3.377 10 5 GGBEMN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581853014 566809001 /nfs/dbraw/zinc/80/90/01/566809001.db2.gz HIFHHSCOJYURAF-CQSZACIVSA-N 0 1 392.237 3.038 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(O)cccc2F)c(C(F)(F)F)c1 ZINC000610954542 566877650 /nfs/dbraw/zinc/87/76/50/566877650.db2.gz SRGGDNQGLMGMMO-UHFFFAOYSA-N 0 1 380.275 3.259 10 5 GGBEMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000543598919 566893536 /nfs/dbraw/zinc/89/35/36/566893536.db2.gz MNRONIUPODVSPY-LBPRGKRZSA-N 0 1 380.491 3.270 10 5 GGBEMN CC1(C)CC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000494335977 566990305 /nfs/dbraw/zinc/99/03/05/566990305.db2.gz ZUFMHAFVEGAXDV-VIFPVBQESA-N 0 1 383.253 3.138 10 5 GGBEMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cn[nH]c1-c1ccncc1 ZINC000520263023 566993769 /nfs/dbraw/zinc/99/37/69/566993769.db2.gz DJTYXUWDNHXZEC-UHFFFAOYSA-N 0 1 388.181 3.395 10 5 GGBEMN Cc1ccsc1[C@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494653916 567015422 /nfs/dbraw/zinc/01/54/22/567015422.db2.gz VYFMBNATJFPZHE-HZMBPMFUSA-N 0 1 383.857 3.268 10 5 GGBEMN O=[N+]([O-])c1cc(Br)cnc1NCCc1cc(-c2ccncc2)[nH]n1 ZINC000431425851 567080368 /nfs/dbraw/zinc/08/03/68/567080368.db2.gz DYHHKQFNORGNRC-UHFFFAOYSA-N 0 1 389.213 3.192 10 5 GGBEMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cc1[N+](=O)[O-] ZINC000566568116 567168705 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CC[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000593021930 567377707 /nfs/dbraw/zinc/37/77/07/567377707.db2.gz ZONAJDQFHBKRIV-INIZCTEOSA-N 0 1 383.857 3.137 10 5 GGBEMN CC[C@@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000593021942 567379874 /nfs/dbraw/zinc/37/98/74/567379874.db2.gz ZONAJDQFHBKRIV-MRXNPFEDSA-N 0 1 383.857 3.137 10 5 GGBEMN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccccc2Br)CCC1 ZINC000593039489 567381138 /nfs/dbraw/zinc/38/11/38/567381138.db2.gz LWCYXBDTTKIOEH-UHFFFAOYSA-N 0 1 392.253 3.188 10 5 GGBEMN C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1Br ZINC000436840565 567455768 /nfs/dbraw/zinc/45/57/68/567455768.db2.gz PGTQHBGHLWJDEN-UHFFFAOYSA-N 0 1 394.225 3.377 10 5 GGBEMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc2nc[nH]c21 ZINC000503124817 567469944 /nfs/dbraw/zinc/46/99/44/567469944.db2.gz GGPCKVQILKWCRL-UHFFFAOYSA-N 0 1 375.182 3.164 10 5 GGBEMN O=[N+]([O-])c1ccc(O)cc1CSCc1ccc(OCC(F)(F)F)nn1 ZINC000594568438 567486800 /nfs/dbraw/zinc/48/68/00/567486800.db2.gz QWXGUGRLLOERAJ-UHFFFAOYSA-N 0 1 375.328 3.465 10 5 GGBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000594782630 567512107 /nfs/dbraw/zinc/51/21/07/567512107.db2.gz GETOHJFPCKDREX-OCCSQVGLSA-N 0 1 381.841 3.258 10 5 GGBEMN CC(C)(C)c1nc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000459552558 567635867 /nfs/dbraw/zinc/63/58/67/567635867.db2.gz UXGFUDVVHWZBDX-UHFFFAOYSA-N 0 1 397.233 3.095 10 5 GGBEMN Cc1c(CNC(=O)c2n[nH]c3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000481481654 567680278 /nfs/dbraw/zinc/68/02/78/567680278.db2.gz OSEONEKUJOWITL-UHFFFAOYSA-N 0 1 389.209 3.472 10 5 GGBEMN CN(C)[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000597094167 567680618 /nfs/dbraw/zinc/68/06/18/567680618.db2.gz MMLQPLNAVNPSMV-ZDUSSCGKSA-N 0 1 383.861 3.316 10 5 GGBEMN CN(C)[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000597094165 567680985 /nfs/dbraw/zinc/68/09/85/567680985.db2.gz MMLQPLNAVNPSMV-CYBMUJFWSA-N 0 1 383.861 3.316 10 5 GGBEMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1n[nH]c2ccc(Br)cc21 ZINC000534033831 567797940 /nfs/dbraw/zinc/79/79/40/567797940.db2.gz YUFHTHDNOJVKOM-UHFFFAOYSA-N 0 1 389.209 3.206 10 5 GGBEMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([O-])cc1[N+](=O)[O-] ZINC000170595801 570853495 /nfs/dbraw/zinc/85/34/95/570853495.db2.gz UCWQMZPNDOEVOK-QGZVFWFLSA-N 0 1 383.448 3.285 10 5 GGBEMN CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020849827 1399354355 /nfs/dbraw/zinc/35/43/55/1399354355.db2.gz HWEXESRHSUVRBH-AWEZNQCLSA-N 0 1 389.437 3.150 10 5 GGBEMN CS(=O)(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070038739 1409743336 /nfs/dbraw/zinc/74/33/36/1409743336.db2.gz IFOWAKUWTVKBLH-IBGZPJMESA-N 0 1 395.525 3.011 10 5 GGBEMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000121183211 1414036566 /nfs/dbraw/zinc/03/65/66/1414036566.db2.gz BTMTYWPVIGAFSL-INIZCTEOSA-N 0 1 393.447 3.351 10 5 GGBEMN COc1ccc(C[C@](C)(CO)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC001648469144 1126250702 /nfs/dbraw/zinc/25/07/02/1126250702.db2.gz COKRQRXFNBGGOM-LJQANCHMSA-N 0 1 394.855 3.349 10 5 GGBEMN COc1ccc(C[C@@](C)(CO)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC001648469143 1126250812 /nfs/dbraw/zinc/25/08/12/1126250812.db2.gz COKRQRXFNBGGOM-IBGZPJMESA-N 0 1 394.855 3.349 10 5 GGBEMN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2cccnc2)c1 ZINC000005129063 204113770 /nfs/dbraw/zinc/11/37/70/204113770.db2.gz OPEILXRVQCANBS-UHFFFAOYSA-N 0 1 398.400 3.043 10 5 GGBEMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000007708703 204248153 /nfs/dbraw/zinc/24/81/53/204248153.db2.gz YTXKJRGXSSYRNX-UHFFFAOYSA-N 0 1 392.220 3.293 10 5 GGBEMN O=C(CSc1n[nH]c(CC2CCCC2)n1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000008752510 204289158 /nfs/dbraw/zinc/28/91/58/204289158.db2.gz OQEJUJSOECALRQ-UHFFFAOYSA-N 0 1 379.417 3.316 10 5 GGBEMN O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000008752510 204289161 /nfs/dbraw/zinc/28/91/61/204289161.db2.gz OQEJUJSOECALRQ-UHFFFAOYSA-N 0 1 379.417 3.316 10 5 GGBEMN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000065550088 205238234 /nfs/dbraw/zinc/23/82/34/205238234.db2.gz AUOHDGYPOJVBSW-OLZOCXBDSA-N 0 1 378.182 3.240 10 5 GGBEMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435405 564240341 /nfs/dbraw/zinc/24/03/41/564240341.db2.gz ORUAQZNCKRJLLT-CYBMUJFWSA-N 0 1 378.303 3.316 10 5 GGBEMN O=[N+]([O-])c1cccc(CNCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000119730367 564285768 /nfs/dbraw/zinc/28/57/68/564285768.db2.gz UXHVQIABWJVKSA-UHFFFAOYSA-N 0 1 388.225 3.432 10 5 GGBEMN O=[N+]([O-])c1cccc(CNCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000119730367 564285770 /nfs/dbraw/zinc/28/57/70/564285770.db2.gz UXHVQIABWJVKSA-UHFFFAOYSA-N 0 1 388.225 3.432 10 5 GGBEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000127872312 564599283 /nfs/dbraw/zinc/59/92/83/564599283.db2.gz CVDWBDGOQVGXSJ-MRVPVSSYSA-N 0 1 381.230 3.058 10 5 GGBEMN C[C@@H]1CN(CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000072301804 564861912 /nfs/dbraw/zinc/86/19/12/564861912.db2.gz CHPXJMWTGHSSDU-GHMZBOCLSA-N 0 1 390.253 3.408 10 5 GGBEMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000078902603 564865174 /nfs/dbraw/zinc/86/51/74/564865174.db2.gz NVKMOXOJZPXIMK-UHFFFAOYSA-N 0 1 387.211 3.167 10 5 GGBEMN O=[N+]([O-])c1ccc(O)cc1CN(CCO)Cc1cc(Br)ccc1F ZINC000092737061 564881097 /nfs/dbraw/zinc/88/10/97/564881097.db2.gz NQEXYHQGRDHHFU-UHFFFAOYSA-N 0 1 399.216 3.197 10 5 GGBEMN Cc1cccc2nc(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)[nH]c21 ZINC000155242782 565065036 /nfs/dbraw/zinc/06/50/36/565065036.db2.gz WATNTMNEDIASEJ-UHFFFAOYSA-N 0 1 389.209 3.472 10 5 GGBEMN CSCc1cc(F)ccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000156189648 565075616 /nfs/dbraw/zinc/07/56/16/565075616.db2.gz LGDNSPDRXFMYOO-UHFFFAOYSA-N 0 1 388.417 3.215 10 5 GGBEMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000183868223 565099800 /nfs/dbraw/zinc/09/98/00/565099800.db2.gz PXNXAEUONGDTTE-NSHDSACASA-N 0 1 381.845 3.212 10 5 GGBEMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c1C ZINC000292761061 565132896 /nfs/dbraw/zinc/13/28/96/565132896.db2.gz IXQCAWBOWNUYCA-LLVKDONJSA-N 0 1 395.384 3.250 10 5 GGBEMN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000371077225 565176379 /nfs/dbraw/zinc/17/63/79/565176379.db2.gz WKCODIRZTKXHSO-UHFFFAOYSA-N 0 1 394.229 3.492 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000186277258 565250644 /nfs/dbraw/zinc/25/06/44/565250644.db2.gz QZPKTYPDHYSLFG-SNVBAGLBSA-N 0 1 380.369 3.281 10 5 GGBEMN O=[N+]([O-])c1cnc(N[C@H](c2nnc[nH]2)c2ccccc2)c(Br)c1 ZINC000375174558 565372592 /nfs/dbraw/zinc/37/25/92/565372592.db2.gz HBOFBCRJRNPSSQ-LBPRGKRZSA-N 0 1 375.186 3.072 10 5 GGBEMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000375560866 565395812 /nfs/dbraw/zinc/39/58/12/565395812.db2.gz OBBKVMZZAKBRSR-UHFFFAOYSA-N 0 1 394.229 3.492 10 5 GGBEMN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188409560 565400296 /nfs/dbraw/zinc/40/02/96/565400296.db2.gz UCUJIDSHJZWODZ-CYBMUJFWSA-N 0 1 382.825 3.359 10 5 GGBEMN Cc1sc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000303433127 565570126 /nfs/dbraw/zinc/57/01/26/565570126.db2.gz FJHMWOSEVWTGLA-UHFFFAOYSA-N 0 1 383.539 3.446 10 5 GGBEMN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(C2CCCCC2)no1 ZINC000174065931 565610497 /nfs/dbraw/zinc/61/04/97/565610497.db2.gz RHUDKYIGVGWQKW-VIFPVBQESA-N 0 1 386.455 3.127 10 5 GGBEMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(SCc3cccs3)s2)n1 ZINC000191953220 565644835 /nfs/dbraw/zinc/64/48/35/565644835.db2.gz RDIYBZYSSIBLAQ-UHFFFAOYSA-N 0 1 396.479 3.269 10 5 GGBEMN C[C@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123537 565889043 /nfs/dbraw/zinc/88/90/43/565889043.db2.gz LDCXPDZBCYGBCG-ZUZCIYMTSA-N 0 1 380.242 3.324 10 5 GGBEMN O=[N+]([O-])c1cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)ccc1Br ZINC000364680316 566063989 /nfs/dbraw/zinc/06/39/89/566063989.db2.gz XBLXOBVPEVLQBV-OAHLLOKOSA-N 0 1 388.225 3.355 10 5 GGBEMN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000182176537 566188153 /nfs/dbraw/zinc/18/81/53/566188153.db2.gz ZFXCSVSNFUHWIX-CHWSQXEVSA-N 0 1 395.253 3.448 10 5 GGBEMN Cc1c(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977485 566225855 /nfs/dbraw/zinc/22/58/55/566225855.db2.gz QHSOZLDIAGYKFI-JTQLQIEISA-N 0 1 394.229 3.068 10 5 GGBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599376177 566258298 /nfs/dbraw/zinc/25/82/98/566258298.db2.gz RKWKOBMEQJWEDA-BYCMXARLSA-N 0 1 382.800 3.004 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCc2ccccc2)C(F)F)s1 ZINC000599414476 566261423 /nfs/dbraw/zinc/26/14/23/566261423.db2.gz FDFPUELQPUGMAK-NSHDSACASA-N 0 1 376.406 3.201 10 5 GGBEMN Cc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] ZINC000534943995 566265332 /nfs/dbraw/zinc/26/53/32/566265332.db2.gz UFGSOUPWVDUZIM-UHFFFAOYSA-N 0 1 384.797 3.129 10 5 GGBEMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509393023 566298194 /nfs/dbraw/zinc/29/81/94/566298194.db2.gz WAXFBDULWBLKHB-UHFFFAOYSA-N 0 1 375.328 3.426 10 5 GGBEMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509389619 566298863 /nfs/dbraw/zinc/29/88/63/566298863.db2.gz FJNLEHBTCZCDTG-UHFFFAOYSA-N 0 1 375.328 3.426 10 5 GGBEMN C[C@H]1CCCC[N@@H+]1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443463 566304276 /nfs/dbraw/zinc/30/42/76/566304276.db2.gz XXGROMAWVHQQEW-JTQLQIEISA-N 0 1 396.296 3.054 10 5 GGBEMN C[C@H]1CCCC[N@H+]1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443463 566304279 /nfs/dbraw/zinc/30/42/79/566304279.db2.gz XXGROMAWVHQQEW-JTQLQIEISA-N 0 1 396.296 3.054 10 5 GGBEMN CC[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715925 566308596 /nfs/dbraw/zinc/30/85/96/566308596.db2.gz BMIGSOUIWLZPEW-NXEZZACHSA-N 0 1 383.253 3.138 10 5 GGBEMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000600595931 566349548 /nfs/dbraw/zinc/34/95/48/566349548.db2.gz RQTMKVVDJPDOQK-SKDRFNHKSA-N 0 1 393.241 3.407 10 5 GGBEMN Cc1ccc(C)c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c1[N+](=O)[O-] ZINC000559141355 566528478 /nfs/dbraw/zinc/52/84/78/566528478.db2.gz TWDGILZVOJIZKK-LLVKDONJSA-N 0 1 395.384 3.250 10 5 GGBEMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCc1nccs1 ZINC000579896124 566648110 /nfs/dbraw/zinc/64/81/10/566648110.db2.gz DWGPGJRONRGPRR-UHFFFAOYSA-N 0 1 396.277 3.269 10 5 GGBEMN O=[N+]([O-])c1ncccc1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000608856107 566738971 /nfs/dbraw/zinc/73/89/71/566738971.db2.gz LLDDYPMOHYKAJF-UHFFFAOYSA-N 0 1 375.186 3.150 10 5 GGBEMN O=[N+]([O-])c1ncccc1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000608856107 566738973 /nfs/dbraw/zinc/73/89/73/566738973.db2.gz LLDDYPMOHYKAJF-UHFFFAOYSA-N 0 1 375.186 3.150 10 5 GGBEMN Cc1ccsc1[C@@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494653918 567015340 /nfs/dbraw/zinc/01/53/40/567015340.db2.gz VYFMBNATJFPZHE-IINYFYTJSA-N 0 1 383.857 3.268 10 5 GGBEMN Cc1ccsc1[C@@H](CO)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494653919 567015439 /nfs/dbraw/zinc/01/54/39/567015439.db2.gz VYFMBNATJFPZHE-QMTHXVAHSA-N 0 1 383.857 3.268 10 5 GGBEMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430937364 567039803 /nfs/dbraw/zinc/03/98/03/567039803.db2.gz BGOOFHIFJAGWOY-UHFFFAOYSA-N 0 1 388.181 3.395 10 5 GGBEMN Cc1c(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc(Br)cc1[N+](=O)[O-] ZINC000591304792 567273054 /nfs/dbraw/zinc/27/30/54/567273054.db2.gz PCMMNTVDHVCLOC-TXEJJXNPSA-N 0 1 383.246 3.024 10 5 GGBEMN CO[C@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000592353312 567332631 /nfs/dbraw/zinc/33/26/31/567332631.db2.gz PAEKYKDYQAMIRA-CYBMUJFWSA-N 0 1 395.275 3.078 10 5 GGBEMN CO[C@@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000592353313 567332656 /nfs/dbraw/zinc/33/26/56/567332656.db2.gz PAEKYKDYQAMIRA-ZDUSSCGKSA-N 0 1 395.275 3.078 10 5 GGBEMN Cc1c(NC(=O)N2CCN(C3CCC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326428 567355846 /nfs/dbraw/zinc/35/58/46/567355846.db2.gz CVSQWAPGKLDMBE-UHFFFAOYSA-N 0 1 397.273 3.368 10 5 GGBEMN Cc1c(NC(=O)N2CCN(C)C[C@@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327367 567355931 /nfs/dbraw/zinc/35/59/31/567355931.db2.gz GWPHLKYZQGIWPA-OAHLLOKOSA-N 0 1 399.289 3.470 10 5 GGBEMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000501067810 567361483 /nfs/dbraw/zinc/36/14/83/567361483.db2.gz DKJXSMFIFWNAOY-QMMMGPOBSA-N 0 1 382.218 3.142 10 5 GGBEMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000501114716 567366127 /nfs/dbraw/zinc/36/61/27/567366127.db2.gz XMZHCPDKOVSCQQ-GFCCVEGCSA-N 0 1 380.202 3.280 10 5 GGBEMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000501108724 567366275 /nfs/dbraw/zinc/36/62/75/567366275.db2.gz RCSDCBLHFFCAGM-QMMMGPOBSA-N 0 1 397.233 3.482 10 5 GGBEMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000501108720 567366331 /nfs/dbraw/zinc/36/63/31/567366331.db2.gz RCSDCBLHFFCAGM-MRVPVSSYSA-N 0 1 397.233 3.482 10 5 GGBEMN COC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1Br ZINC000477498096 567398055 /nfs/dbraw/zinc/39/80/55/567398055.db2.gz HMHQETFDEDVDCF-UHFFFAOYSA-N 0 1 395.165 3.102 10 5 GGBEMN C[C@@](CO)(NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000550098125 567427738 /nfs/dbraw/zinc/42/77/38/567427738.db2.gz ZBWMDSBJSKOJFU-INIZCTEOSA-N 0 1 381.226 3.060 10 5 GGBEMN Cc1sc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000457092982 567439785 /nfs/dbraw/zinc/43/97/85/567439785.db2.gz XUSCJWVEKDONIB-UHFFFAOYSA-N 0 1 379.404 3.454 10 5 GGBEMN CCN1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000619541665 567463591 /nfs/dbraw/zinc/46/35/91/567463591.db2.gz XQERJXSGHQGNSM-SNVBAGLBSA-N 0 1 385.262 3.224 10 5 GGBEMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)cc1C ZINC000551051469 567475111 /nfs/dbraw/zinc/47/51/11/567475111.db2.gz ILGYMPUNOFZCBY-UHFFFAOYSA-N 0 1 388.398 3.081 10 5 GGBEMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000570408524 567481901 /nfs/dbraw/zinc/48/19/01/567481901.db2.gz SLYVMYNPYSDEDA-GFCCVEGCSA-N 0 1 385.262 3.224 10 5 GGBEMN CC(C)(NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(F)F ZINC000594579295 567488535 /nfs/dbraw/zinc/48/85/35/567488535.db2.gz PDLWSSOERSPZDV-UHFFFAOYSA-N 0 1 387.202 3.069 10 5 GGBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000594782628 567512434 /nfs/dbraw/zinc/51/24/34/567512434.db2.gz GETOHJFPCKDREX-GXTWGEPZSA-N 0 1 381.841 3.258 10 5 GGBEMN O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000504316282 567529802 /nfs/dbraw/zinc/52/98/02/567529802.db2.gz GJJFPMORIBNSET-AWEZNQCLSA-N 0 1 393.193 3.317 10 5 GGBEMN CN(C)[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1cccs1 ZINC000597095001 567681196 /nfs/dbraw/zinc/68/11/96/567681196.db2.gz UVKXQWUFWGTJDK-GFCCVEGCSA-N 0 1 383.861 3.316 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)c2ccc(Cl)cc2)s1 ZINC000508082616 567726756 /nfs/dbraw/zinc/72/67/56/567726756.db2.gz HSUZBBHWNOVGSL-UHFFFAOYSA-N 0 1 382.797 3.380 10 5 GGBEMN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000001291759 570956293 /nfs/dbraw/zinc/95/62/93/570956293.db2.gz RXJHARGYBPCNTP-KRWDZBQOSA-N 0 1 383.408 3.351 10 5 GGBEMN CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000107535993 570974896 /nfs/dbraw/zinc/97/48/96/570974896.db2.gz COUVHWMTKHUUIE-JSGCOSHPSA-N 0 1 378.860 3.078 10 5 GGBEMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000021018362 1399360859 /nfs/dbraw/zinc/36/08/59/1399360859.db2.gz XBSVPQPKFCOPIG-UHFFFAOYSA-N 0 1 394.387 3.353 10 5 GGBEMN COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069896142 1409720806 /nfs/dbraw/zinc/72/08/06/1409720806.db2.gz FHQOLJBNEBRVLK-HXUWFJFHSA-N 0 1 389.496 3.224 10 5 GGBEMN CCc1cc(N2CCN([C@@H]3CCSC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079076554 1409955304 /nfs/dbraw/zinc/95/53/04/1409955304.db2.gz OIBIFFBQOWHMDO-GOSISDBHSA-N 0 1 399.520 3.242 10 5 GGBEMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116446704 1412861613 /nfs/dbraw/zinc/86/16/13/1412861613.db2.gz FOKVFMRYOSKDJF-NWDGAFQWSA-N 0 1 385.330 3.400 10 5 GGBEMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000121179299 1414035247 /nfs/dbraw/zinc/03/52/47/1414035247.db2.gz CIDROMONQZVEGE-KRWDZBQOSA-N 0 1 382.464 3.048 10 5 GGBEMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180834327 1430063164 /nfs/dbraw/zinc/06/31/64/1430063164.db2.gz ASPHFLJWTSPISM-OAHLLOKOSA-N 0 1 379.420 3.378 10 5 GGBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000253394187 1433866987 /nfs/dbraw/zinc/86/69/87/1433866987.db2.gz ALIIUGKTORWBID-SNPRPXQTSA-N 0 1 394.353 3.424 10 5 GGBEMN COc1ccc(C[C@](C)(CO)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC001648470559 1126250977 /nfs/dbraw/zinc/25/09/77/1126250977.db2.gz XZYLVKYPTQKFEK-LJQANCHMSA-N 0 1 394.855 3.349 10 5 GGBEMN CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020849798 207214431 /nfs/dbraw/zinc/21/44/31/207214431.db2.gz AZGALPYCJABOTD-AWEZNQCLSA-N 0 1 389.437 3.150 10 5 GGBEMN CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020849824 207215672 /nfs/dbraw/zinc/21/56/72/207215672.db2.gz HWEXESRHSUVRBH-CQSZACIVSA-N 0 1 389.437 3.150 10 5 GGBEMN CC(=O)OCCCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000097165051 208340983 /nfs/dbraw/zinc/34/09/83/208340983.db2.gz CPGDYXQASRBANZ-UHFFFAOYSA-N 0 1 396.396 3.030 10 5 GGBEMN CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000089949222 136175882 /nfs/dbraw/zinc/17/58/82/136175882.db2.gz COUVHWMTKHUUIE-OCCSQVGLSA-N 0 1 378.860 3.078 10 5 GGBEMN CCc1cc(N2CCCC[C@@H]2c2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095467650 136179386 /nfs/dbraw/zinc/17/93/86/136179386.db2.gz QLHBKSHOKGQMHS-MRXNPFEDSA-N 0 1 379.424 3.464 10 5 GGBEMN CCc1cc(N2CCCC[C@H]2c2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095467651 136179408 /nfs/dbraw/zinc/17/94/08/136179408.db2.gz QLHBKSHOKGQMHS-INIZCTEOSA-N 0 1 379.424 3.464 10 5 GGBEMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000026712502 564348905 /nfs/dbraw/zinc/34/89/05/564348905.db2.gz MBFUBPDWCZWABH-JSGCOSHPSA-N 0 1 395.253 3.448 10 5 GGBEMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000131419014 564711274 /nfs/dbraw/zinc/71/12/74/564711274.db2.gz VHAPNFMBABLYTJ-UHFFFAOYSA-N 0 1 391.174 3.003 10 5 GGBEMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183868208 565099489 /nfs/dbraw/zinc/09/94/89/565099489.db2.gz PXNXAEUONGDTTE-LLVKDONJSA-N 0 1 381.845 3.212 10 5 GGBEMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)cc1C ZINC000292746627 565131665 /nfs/dbraw/zinc/13/16/65/565131665.db2.gz HRAUMVDXOBHUPT-LLVKDONJSA-N 0 1 395.384 3.250 10 5 GGBEMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCN1C ZINC000295192252 565250772 /nfs/dbraw/zinc/25/07/72/565250772.db2.gz JPKWPNPHYLJXRB-VHSXEESVSA-N 0 1 396.296 3.005 10 5 GGBEMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000273569904 565326155 /nfs/dbraw/zinc/32/61/55/565326155.db2.gz IDVCSAYWUUJPND-UHFFFAOYSA-N 0 1 384.165 3.134 10 5 GGBEMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000273569904 565326158 /nfs/dbraw/zinc/32/61/58/565326158.db2.gz IDVCSAYWUUJPND-UHFFFAOYSA-N 0 1 384.165 3.134 10 5 GGBEMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1n[nH]c2ccc(Br)cc21 ZINC000171763400 565449113 /nfs/dbraw/zinc/44/91/13/565449113.db2.gz QMJFCADFQSFJEU-UHFFFAOYSA-N 0 1 389.209 3.206 10 5 GGBEMN O=C(NCc1cccc([N+](=O)[O-])c1)c1n[nH]c2ccc(Br)cc21 ZINC000171766859 565449841 /nfs/dbraw/zinc/44/98/41/565449841.db2.gz RZLBXCYRAILJAD-UHFFFAOYSA-N 0 1 375.182 3.164 10 5 GGBEMN CC[C@@H](CO)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301473204 565488113 /nfs/dbraw/zinc/48/81/13/565488113.db2.gz QSRIYGLPZHQNDB-JTQLQIEISA-N 0 1 381.782 3.160 10 5 GGBEMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000191807314 565634127 /nfs/dbraw/zinc/63/41/27/565634127.db2.gz PCNPHDWHMWCGHG-UHFFFAOYSA-N 0 1 382.829 3.333 10 5 GGBEMN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000364335169 566045006 /nfs/dbraw/zinc/04/50/06/566045006.db2.gz DTEVKLCOPANBJJ-UHFFFAOYSA-N 0 1 379.214 3.100 10 5 GGBEMN Cc1c(Br)cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000181368401 566137637 /nfs/dbraw/zinc/13/76/37/566137637.db2.gz OFYLGKRBEXDZHM-LBPRGKRZSA-N 0 1 394.229 3.151 10 5 GGBEMN CC[C@H](NCC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000181534426 566147895 /nfs/dbraw/zinc/14/78/95/566147895.db2.gz IINQNQAHEHRKFT-AWEZNQCLSA-N 0 1 393.241 3.432 10 5 GGBEMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182569602 566212687 /nfs/dbraw/zinc/21/26/87/566212687.db2.gz OFSMCAKTLSRIMP-JTQLQIEISA-N 0 1 378.226 3.307 10 5 GGBEMN Cc1c(NC(=O)N2CCNC[C@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000599606925 566279156 /nfs/dbraw/zinc/27/91/56/566279156.db2.gz RAEMRHMSPSMFDA-AWEZNQCLSA-N 0 1 385.262 3.127 10 5 GGBEMN COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462410667 566297662 /nfs/dbraw/zinc/29/76/62/566297662.db2.gz VPPFFRPRDNAMKM-VIFPVBQESA-N 0 1 388.804 3.435 10 5 GGBEMN C[C@@H]1CCCC[N@@H+]1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443464 566304225 /nfs/dbraw/zinc/30/42/25/566304225.db2.gz XXGROMAWVHQQEW-SNVBAGLBSA-N 0 1 396.296 3.054 10 5 GGBEMN C[C@@H]1CCCC[N@H+]1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443464 566304231 /nfs/dbraw/zinc/30/42/31/566304231.db2.gz XXGROMAWVHQQEW-SNVBAGLBSA-N 0 1 396.296 3.054 10 5 GGBEMN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)c(Cl)c1 ZINC000600472735 566340789 /nfs/dbraw/zinc/34/07/89/566340789.db2.gz PHQCFEMDSSLJNL-CQSZACIVSA-N 0 1 385.251 3.273 10 5 GGBEMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C(F)(F)F)CCCCC1 ZINC000510219979 566371172 /nfs/dbraw/zinc/37/11/72/566371172.db2.gz ACZFSPHEPPZHAO-UHFFFAOYSA-N 0 1 382.360 3.147 10 5 GGBEMN CCC[C@@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000510540811 566392805 /nfs/dbraw/zinc/39/28/05/566392805.db2.gz XSECZVRAWZEQSQ-CYBMUJFWSA-N 0 1 383.253 3.139 10 5 GGBEMN CCC[C@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000510540812 566393189 /nfs/dbraw/zinc/39/31/89/566393189.db2.gz XSECZVRAWZEQSQ-ZDUSSCGKSA-N 0 1 383.253 3.139 10 5 GGBEMN CCSc1cccc(Br)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000484890742 566462002 /nfs/dbraw/zinc/46/20/02/566462002.db2.gz UVTPDAWEXBURHE-UHFFFAOYSA-N 0 1 385.243 3.455 10 5 GGBEMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000538757089 566533236 /nfs/dbraw/zinc/53/32/36/566533236.db2.gz RMSGPBJUCYBXNN-UHFFFAOYSA-N 0 1 384.797 3.144 10 5 GGBEMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485944113 566542440 /nfs/dbraw/zinc/54/24/40/566542440.db2.gz WFPIINKPKQNVJJ-VIFPVBQESA-N 0 1 381.410 3.383 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)s1 ZINC000512543190 566542651 /nfs/dbraw/zinc/54/26/51/566542651.db2.gz APAOUXOLIMFGCC-UHFFFAOYSA-N 0 1 387.527 3.123 10 5 GGBEMN Cc1sc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000515338432 566705391 /nfs/dbraw/zinc/70/53/91/566705391.db2.gz YGMMPEZGNNLJNI-QMMMGPOBSA-N 0 1 387.386 3.003 10 5 GGBEMN C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Br ZINC000469490795 566793998 /nfs/dbraw/zinc/79/39/98/566793998.db2.gz XSJYDZWOSJVAAE-UHFFFAOYSA-N 0 1 394.225 3.377 10 5 GGBEMN C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000610518448 566840416 /nfs/dbraw/zinc/84/04/16/566840416.db2.gz PGPWJIQDXHJIJD-SECBINFHSA-N 0 1 390.248 3.379 10 5 GGBEMN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000545927049 567088351 /nfs/dbraw/zinc/08/83/51/567088351.db2.gz GWTNTMPTQQTQHI-UHFFFAOYSA-N 0 1 390.826 3.206 10 5 GGBEMN Cc1c(NC(=O)N2CCN(CC(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435333400 567358266 /nfs/dbraw/zinc/35/82/66/567358266.db2.gz PQIJJILEHPNGJC-UHFFFAOYSA-N 0 1 399.289 3.471 10 5 GGBEMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000501067809 567361015 /nfs/dbraw/zinc/36/10/15/567361015.db2.gz DKJXSMFIFWNAOY-MRVPVSSYSA-N 0 1 382.218 3.142 10 5 GGBEMN Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000593204712 567397217 /nfs/dbraw/zinc/39/72/17/567397217.db2.gz ALBXCDMZMBTLKO-UHFFFAOYSA-N 0 1 396.368 3.199 10 5 GGBEMN O=[N+]([O-])c1cnc(NCCc2cc(-c3ccncc3)[nH]n2)c(Br)c1 ZINC000436422906 567422883 /nfs/dbraw/zinc/42/28/83/567422883.db2.gz PGSBCOHSVQAABC-UHFFFAOYSA-N 0 1 389.213 3.192 10 5 GGBEMN C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1Br ZINC000436836472 567456111 /nfs/dbraw/zinc/45/61/11/567456111.db2.gz CSXMAJUEKVYXEY-UHFFFAOYSA-N 0 1 394.225 3.377 10 5 GGBEMN COc1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)cc1[N+](=O)[O-] ZINC000502848534 567457377 /nfs/dbraw/zinc/45/73/77/567457377.db2.gz ZBAZGQRPGIUTDI-UHFFFAOYSA-N 0 1 391.181 3.495 10 5 GGBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000594782629 567511586 /nfs/dbraw/zinc/51/15/86/567511586.db2.gz GETOHJFPCKDREX-JSGCOSHPSA-N 0 1 381.841 3.258 10 5 GGBEMN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505782642 567597404 /nfs/dbraw/zinc/59/74/04/567597404.db2.gz NQTDTYSLUCHHDU-SNVBAGLBSA-N 0 1 379.210 3.424 10 5 GGBEMN O=C(N[C@H]1CCCCc2cc(Br)ccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000598453480 567770086 /nfs/dbraw/zinc/77/00/86/567770086.db2.gz QQUBSAXCKRFQTM-LBPRGKRZSA-N 0 1 379.214 3.278 10 5 GGBEMN CC1(N2CCOCC2)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599160201 567807681 /nfs/dbraw/zinc/80/76/81/567807681.db2.gz JBMZJGUGLZOEEG-UHFFFAOYSA-N 0 1 384.274 3.048 10 5 GGBEMN CCC1(N2CCOCC2)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599184071 567809252 /nfs/dbraw/zinc/80/92/52/567809252.db2.gz XSZDLBGQGFZXSV-UHFFFAOYSA-N 0 1 398.301 3.439 10 5 GGBEMN COc1ccc(C[C@@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000048287969 570228059 /nfs/dbraw/zinc/22/80/59/570228059.db2.gz UGANMCUCLAPESX-IBGZPJMESA-N 0 1 383.448 3.273 10 5 GGBEMN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000004875843 570353172 /nfs/dbraw/zinc/35/31/72/570353172.db2.gz PSUSBOPMNDTESV-QGZVFWFLSA-N 0 1 383.408 3.351 10 5 GGBEMN CC(C)[C@@H](NC[C@@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160457 570555885 /nfs/dbraw/zinc/55/58/85/570555885.db2.gz IRGGZJFJLWKJTH-HZPDHXFCSA-N 0 1 392.456 3.108 10 5 GGBEMN NC(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583623197 570801500 /nfs/dbraw/zinc/80/15/00/570801500.db2.gz WZBQWJJYRFUYCA-CQSZACIVSA-N 0 1 395.419 3.056 10 5 GGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000045803359 570997245 /nfs/dbraw/zinc/99/72/45/570997245.db2.gz QGDKVZDNIDFJKK-XHSDSOJGSA-N 0 1 375.469 3.004 10 5 GGBEMN O=C(c1cc(N2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108309507 1411470996 /nfs/dbraw/zinc/47/09/96/1411470996.db2.gz AZKMTUIHRBIQER-UHFFFAOYSA-N 0 1 394.475 3.153 10 5 GGBEMN CCOc1ccc([C@@H](C)NCc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000153430209 1422532005 /nfs/dbraw/zinc/53/20/05/1422532005.db2.gz HRYIGFULQTVLLP-CQSZACIVSA-N 0 1 392.477 3.389 10 5 GGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180834282 1430063306 /nfs/dbraw/zinc/06/33/06/1430063306.db2.gz BFAKQCDFGMRBMG-OAHLLOKOSA-N 0 1 379.420 3.378 10 5 GGBEMN COc1ccc(C[C@](C)(CO)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001176589269 1126149789 /nfs/dbraw/zinc/14/97/89/1126149789.db2.gz WORVGOHYKKPAHC-OAQYLSRUSA-N 0 1 397.431 3.342 10 5 GGBEMN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017169433 210206092 /nfs/dbraw/zinc/20/60/92/210206092.db2.gz GBRXCZQKYIJNDL-UHFFFAOYSA-N 0 1 389.324 3.413 10 5 GGBEMN CCNc1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3ccccc3nc12 ZINC000009578685 209835415 /nfs/dbraw/zinc/83/54/15/209835415.db2.gz FPWONWWPACTJGB-UHFFFAOYSA-N 0 1 377.375 3.355 10 5 GGBEMN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 ZINC000004879335 209538340 /nfs/dbraw/zinc/53/83/40/209538340.db2.gz FMRJPYGPKIJJNC-GOSISDBHSA-N 0 1 391.387 3.219 10 5 GGBEMN Cc1ccc(OCCN(C)C(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1 ZINC000096011686 211294663 /nfs/dbraw/zinc/29/46/63/211294663.db2.gz CISGAODDHQCRIA-UHFFFAOYSA-N 0 1 380.404 3.444 10 5 GGBEMN Cc1ccnc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] ZINC000115516761 564195143 /nfs/dbraw/zinc/19/51/43/564195143.db2.gz GFPAUUGDOSHHHO-UHFFFAOYSA-N 0 1 389.213 3.458 10 5 GGBEMN Cc1ccnc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000115516761 564195148 /nfs/dbraw/zinc/19/51/48/564195148.db2.gz GFPAUUGDOSHHHO-UHFFFAOYSA-N 0 1 389.213 3.458 10 5 GGBEMN Cc1c(NC(=O)NCc2n[nH]c(C(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000297147363 565358867 /nfs/dbraw/zinc/35/88/67/565358867.db2.gz PHCIPZKSQKZJRY-UHFFFAOYSA-N 0 1 397.233 3.229 10 5 GGBEMN CCc1noc(C)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000164840872 565364103 /nfs/dbraw/zinc/36/41/03/565364103.db2.gz AWYGZPQJPGBVKB-UHFFFAOYSA-N 0 1 390.215 3.017 10 5 GGBEMN O=[N+]([O-])c1cnc(N[C@@H](c2nnc[nH]2)c2ccccc2)c(Br)c1 ZINC000375174557 565372933 /nfs/dbraw/zinc/37/29/33/565372933.db2.gz HBOFBCRJRNPSSQ-GFCCVEGCSA-N 0 1 375.186 3.072 10 5 GGBEMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1n[nH]c2ccc(Br)cc21 ZINC000171773014 565450973 /nfs/dbraw/zinc/45/09/73/565450973.db2.gz DVMINOASNWMAKC-UHFFFAOYSA-N 0 1 375.182 3.164 10 5 GGBEMN C[C@H]1CN(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301178211 565470634 /nfs/dbraw/zinc/47/06/34/565470634.db2.gz MDDVXKJJOOJOEH-LBPRGKRZSA-N 0 1 384.274 3.047 10 5 GGBEMN CCCc1[nH]nc(C(=O)N2CCc3cccc(Br)c3C2)c1[N+](=O)[O-] ZINC000172449630 565485814 /nfs/dbraw/zinc/48/58/14/565485814.db2.gz JEJQWXHTLCSFEL-UHFFFAOYSA-N 0 1 393.241 3.231 10 5 GGBEMN CCc1nc(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302729760 565553051 /nfs/dbraw/zinc/55/30/51/565553051.db2.gz RFFPSESPCZBRNR-UHFFFAOYSA-N 0 1 380.246 3.422 10 5 GGBEMN CCc1nnc(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000302729760 565553056 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3.078 10 5 GGBEMN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000008507661 1398836104 /nfs/dbraw/zinc/83/61/04/1398836104.db2.gz NQKPBGZKOXDMET-UHFFFAOYSA-N 0 1 399.432 3.428 10 5 GGBEMN CS(=O)(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070038737 1409743361 /nfs/dbraw/zinc/74/33/61/1409743361.db2.gz IFOWAKUWTVKBLH-LJQANCHMSA-N 0 1 395.525 3.011 10 5 GGBEMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116446709 1412861620 /nfs/dbraw/zinc/86/16/20/1412861620.db2.gz FOKVFMRYOSKDJF-VXGBXAGGSA-N 0 1 385.330 3.400 10 5 GGBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000253394205 1433867028 /nfs/dbraw/zinc/86/70/28/1433867028.db2.gz ALIIUGKTORWBID-VHDGCEQUSA-N 0 1 394.353 3.424 10 5 GGBEMN COc1ccccc1C[C@@](C)(CO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460693199 1126191766 /nfs/dbraw/zinc/19/17/66/1126191766.db2.gz DIVNNYQAZSFROY-NRFANRHFSA-N 0 1 397.431 3.342 10 5 GGBEMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001656293076 1126257273 /nfs/dbraw/zinc/25/72/73/1126257273.db2.gz IUZHYANPSKAUMD-QGZVFWFLSA-N 0 1 379.800 3.240 10 5 GGBEMN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 ZINC000006657417 220947594 /nfs/dbraw/zinc/94/75/94/220947594.db2.gz DNWOAARLKRQULP-CYBMUJFWSA-N 0 1 379.420 3.382 10 5 GGBEMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1n[nH]c(CC2CCCC2)n1 ZINC000008752502 221055669 /nfs/dbraw/zinc/05/56/69/221055669.db2.gz KURWLSNAGDWWBZ-UHFFFAOYSA-N 0 1 375.454 3.485 10 5 GGBEMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(CC2CCCC2)n[nH]1 ZINC000008752502 221055673 /nfs/dbraw/zinc/05/56/73/221055673.db2.gz KURWLSNAGDWWBZ-UHFFFAOYSA-N 0 1 375.454 3.485 10 5 GGBEMN CC[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000089949221 136175801 /nfs/dbraw/zinc/17/58/01/136175801.db2.gz COUVHWMTKHUUIE-TZMCWYRMSA-N 0 1 378.860 3.078 10 5 GGBEMN CC(C)[C@H](NC[C@@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160453 221845193 /nfs/dbraw/zinc/84/51/93/221845193.db2.gz IRGGZJFJLWKJTH-CVEARBPZSA-N 0 1 392.456 3.108 10 5 GGBEMN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000065550093 222132905 /nfs/dbraw/zinc/13/29/05/222132905.db2.gz AUOHDGYPOJVBSW-CHWSQXEVSA-N 0 1 378.182 3.240 10 5 GGBEMN COCCN(C)C[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095944987 222362971 /nfs/dbraw/zinc/36/29/71/222362971.db2.gz PDEAYAVHGDKZMM-IBGZPJMESA-N 0 1 397.475 3.373 10 5 GGBEMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064243774 564727207 /nfs/dbraw/zinc/72/72/07/564727207.db2.gz NYIRUFHUUOABGE-AWEZNQCLSA-N 0 1 383.495 3.018 10 5 GGBEMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000152155998 564948725 /nfs/dbraw/zinc/94/87/25/564948725.db2.gz PKNDWSMOIWEIAT-UHFFFAOYSA-N 0 1 388.181 3.395 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000153953146 565019400 /nfs/dbraw/zinc/01/94/00/565019400.db2.gz RYOOBMIQGPPKJI-UHFFFAOYSA-N 0 1 399.519 3.006 10 5 GGBEMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c1C ZINC000292761064 565133307 /nfs/dbraw/zinc/13/33/07/565133307.db2.gz IXQCAWBOWNUYCA-NSHDSACASA-N 0 1 395.384 3.250 10 5 GGBEMN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2cnc[nH]2)CC1 ZINC000370356291 565139768 /nfs/dbraw/zinc/13/97/68/565139768.db2.gz ZNNJDQSBNFNHEX-UHFFFAOYSA-N 0 1 393.241 3.029 10 5 GGBEMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCN1C ZINC000295192254 565250566 /nfs/dbraw/zinc/25/05/66/565250566.db2.gz JPKWPNPHYLJXRB-ZJUUUORDSA-N 0 1 396.296 3.005 10 5 GGBEMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000165141524 565368044 /nfs/dbraw/zinc/36/80/44/565368044.db2.gz GYRCQYDIWOFWHY-UHFFFAOYSA-N 0 1 375.328 3.426 10 5 GGBEMN C[C@@H]1CN(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301178210 565470812 /nfs/dbraw/zinc/47/08/12/565470812.db2.gz MDDVXKJJOOJOEH-GFCCVEGCSA-N 0 1 384.274 3.047 10 5 GGBEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383963 565606119 /nfs/dbraw/zinc/60/61/19/565606119.db2.gz FAGSIBVSWCGLGK-DGCLKSJQSA-N 0 1 382.258 3.056 10 5 GGBEMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383965 565606219 /nfs/dbraw/zinc/60/62/19/565606219.db2.gz FAGSIBVSWCGLGK-WCQYABFASA-N 0 1 382.258 3.056 10 5 GGBEMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)n1 ZINC000191595285 565616011 /nfs/dbraw/zinc/61/60/11/565616011.db2.gz OXBLKLWPZSXJIG-UHFFFAOYSA-N 0 1 378.801 3.235 10 5 GGBEMN C[C@@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123533 565888853 /nfs/dbraw/zinc/88/88/53/565888853.db2.gz LDCXPDZBCYGBCG-MEBBXXQBSA-N 0 1 380.242 3.324 10 5 GGBEMN Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(-c3ccc(Br)cc3)n2)n1 ZINC000178207747 565905488 /nfs/dbraw/zinc/90/54/88/565905488.db2.gz NEJGDKWGEMFHKY-UHFFFAOYSA-N 0 1 389.213 3.458 10 5 GGBEMN Cc1ccc([N+](=O)[O-])c(NCc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000178207747 565905491 /nfs/dbraw/zinc/90/54/91/565905491.db2.gz NEJGDKWGEMFHKY-UHFFFAOYSA-N 0 1 389.213 3.458 10 5 GGBEMN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000414450292 565934298 /nfs/dbraw/zinc/93/42/98/565934298.db2.gz GDCWWFITGRSGKA-VIFPVBQESA-N 0 1 380.266 3.233 10 5 GGBEMN COc1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000286636996 565971954 /nfs/dbraw/zinc/97/19/54/565971954.db2.gz SUUDOLNJVUDEDQ-QGZVFWFLSA-N 0 1 395.253 3.363 10 5 GGBEMN Cc1c(Br)cc(S(=O)(=O)Nc2ncccc2F)cc1[N+](=O)[O-] ZINC000180261505 566048812 /nfs/dbraw/zinc/04/88/12/566048812.db2.gz XICLBFXKTTZLEK-UHFFFAOYSA-N 0 1 390.190 3.001 10 5 GGBEMN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183371283 566245559 /nfs/dbraw/zinc/24/55/59/566245559.db2.gz PBQLYBATUKGSBA-LLVKDONJSA-N 0 1 395.217 3.235 10 5 GGBEMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000556351319 566289455 /nfs/dbraw/zinc/28/94/55/566289455.db2.gz VTGPCMKSPZFVHV-UHFFFAOYSA-N 0 1 399.222 3.361 10 5 GGBEMN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445879376 566317109 /nfs/dbraw/zinc/31/71/09/566317109.db2.gz FXHQKDLKISSDMF-CQSZACIVSA-N 0 1 381.230 3.009 10 5 GGBEMN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000600470845 566339952 /nfs/dbraw/zinc/33/99/52/566339952.db2.gz IRULIQQIGFRWIF-HNNXBMFYSA-N 0 1 383.235 3.329 10 5 GGBEMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000600595926 566349105 /nfs/dbraw/zinc/34/91/05/566349105.db2.gz RQTMKVVDJPDOQK-CABZTGNLSA-N 0 1 393.241 3.407 10 5 GGBEMN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCn3nccc32)c1 ZINC000601174601 566393604 /nfs/dbraw/zinc/39/36/04/566393604.db2.gz XKLDFIPEVCDNAN-CYBMUJFWSA-N 0 1 398.204 3.021 10 5 GGBEMN Cc1ccc(C)c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c1[N+](=O)[O-] ZINC000559141356 566528227 /nfs/dbraw/zinc/52/82/27/566528227.db2.gz TWDGILZVOJIZKK-NSHDSACASA-N 0 1 395.384 3.250 10 5 GGBEMN COC(=O)c1cc(NS(=O)(=O)c2cc(C)sc2C)c(C)c([N+](=O)[O-])c1 ZINC000486017486 566550091 /nfs/dbraw/zinc/55/00/91/566550091.db2.gz NMQVZOHDMOEDCC-UHFFFAOYSA-N 0 1 384.435 3.169 10 5 GGBEMN CN(C)Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000560798659 566659690 /nfs/dbraw/zinc/65/96/90/566659690.db2.gz VYNWNNPRACKNSN-UHFFFAOYSA-N 0 1 379.214 3.066 10 5 GGBEMN COC1CCC(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000427251454 566761227 /nfs/dbraw/zinc/76/12/27/566761227.db2.gz SJLIANMROCGXGR-UHFFFAOYSA-N 0 1 397.280 3.385 10 5 GGBEMN COC[C@](C)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000610518995 566840341 /nfs/dbraw/zinc/84/03/41/566840341.db2.gz OPEJZUOLXJKNSY-INIZCTEOSA-N 0 1 399.241 3.104 10 5 GGBEMN COC[C@@](C)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000610518996 566840369 /nfs/dbraw/zinc/84/03/69/566840369.db2.gz OPEJZUOLXJKNSY-MRXNPFEDSA-N 0 1 399.241 3.104 10 5 GGBEMN O=C(Nc1cnn(-c2ccncc2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570819 566844117 /nfs/dbraw/zinc/84/41/17/566844117.db2.gz RSHOQOYWSWVVOA-UHFFFAOYSA-N 0 1 388.181 3.190 10 5 GGBEMN COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000543020771 566844862 /nfs/dbraw/zinc/84/48/62/566844862.db2.gz DLFGSYFPSKMLKK-UHFFFAOYSA-N 0 1 384.797 3.260 10 5 GGBEMN Cn1cc(Br)c(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000453308302 567074558 /nfs/dbraw/zinc/07/45/58/567074558.db2.gz NDTADMHBBISMEB-CQSZACIVSA-N 0 1 379.258 3.202 10 5 GGBEMN COc1cccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000585733052 567083916 /nfs/dbraw/zinc/08/39/16/567083916.db2.gz MSDGXFXHDBXNMD-UHFFFAOYSA-N 0 1 387.211 3.167 10 5 GGBEMN Cc1csc(C2(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCC2)n1 ZINC000474111915 567135540 /nfs/dbraw/zinc/13/55/40/567135540.db2.gz XBUNLMFMRHCAEC-UHFFFAOYSA-N 0 1 387.870 3.371 10 5 GGBEMN Cc1cccc2nc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])[nH]c21 ZINC000498583627 567189546 /nfs/dbraw/zinc/18/95/46/567189546.db2.gz MDIGTIRASSRJIK-UHFFFAOYSA-N 0 1 389.209 3.472 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)s1 ZINC000432947201 567207149 /nfs/dbraw/zinc/20/71/49/567207149.db2.gz FBQVLJWOHDYGRG-NSHDSACASA-N 0 1 384.332 3.219 10 5 GGBEMN COc1ccccc1C1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000592070659 567312638 /nfs/dbraw/zinc/31/26/38/567312638.db2.gz SUQAESMHAQVART-UHFFFAOYSA-N 0 1 382.825 3.224 10 5 GGBEMN Cc1c(NC(=O)N2CCN(C)[C@H](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325866 567356306 /nfs/dbraw/zinc/35/63/06/567356306.db2.gz BEJSAWXIGLXJKY-GHMZBOCLSA-N 0 1 385.262 3.222 10 5 GGBEMN Cc1c(NC(=O)N2CCN(C(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324415 567356408 /nfs/dbraw/zinc/35/64/08/567356408.db2.gz WKYTYTCXMOTDAC-UHFFFAOYSA-N 0 1 385.262 3.224 10 5 GGBEMN Cc1c(NC(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325867 567356500 /nfs/dbraw/zinc/35/65/00/567356500.db2.gz BEJSAWXIGLXJKY-MNOVXSKESA-N 0 1 385.262 3.222 10 5 GGBEMN Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476958205 567361080 /nfs/dbraw/zinc/36/10/80/567361080.db2.gz MUEXHZTXMQRUEA-ZDUSSCGKSA-N 0 1 382.825 3.277 10 5 GGBEMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 ZINC000501105231 567364180 /nfs/dbraw/zinc/36/41/80/567364180.db2.gz IORXANSFNLMGLA-UHFFFAOYSA-N 0 1 383.246 3.059 10 5 GGBEMN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Br)cc3O)n2)nc1 ZINC000436946586 567468311 /nfs/dbraw/zinc/46/83/11/567468311.db2.gz SKAFJGRKKLGPPD-UHFFFAOYSA-N 0 1 377.154 3.099 10 5 GGBEMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479135963 567507876 /nfs/dbraw/zinc/50/78/76/567507876.db2.gz BNDVVTRVIPYFRQ-UHFFFAOYSA-N 0 1 379.419 3.152 10 5 GGBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000594779727 567511953 /nfs/dbraw/zinc/51/19/53/567511953.db2.gz SPJKNZYEGQTSQF-AWEZNQCLSA-N 0 1 385.804 3.212 10 5 GGBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000594784463 567513254 /nfs/dbraw/zinc/51/32/54/567513254.db2.gz ZBOUXMLADQAXOX-OCCSQVGLSA-N 0 1 381.841 3.258 10 5 GGBEMN O=C(c1cc(Br)cc2nc[nH]c21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000503986936 567515846 /nfs/dbraw/zinc/51/58/46/567515846.db2.gz OWOUYJVYCYTFBV-UHFFFAOYSA-N 0 1 387.193 3.437 10 5 GGBEMN C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852185 567520578 /nfs/dbraw/zinc/52/05/78/567520578.db2.gz OEXFFTWKPPHRJC-SCZZXKLOSA-N 0 1 383.253 3.138 10 5 GGBEMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(=O)c2ccccc2[nH]1 ZINC000552397244 567587320 /nfs/dbraw/zinc/58/73/20/567587320.db2.gz WJJDBGBZCOEINH-UHFFFAOYSA-N 0 1 388.177 3.451 10 5 GGBEMN CCc1[nH]nc(C(=O)N2CCc3cc(Br)cc(C)c3C2)c1[N+](=O)[O-] ZINC000571782077 567587973 /nfs/dbraw/zinc/58/79/73/567587973.db2.gz ITQKLJYWCWFSHP-UHFFFAOYSA-N 0 1 393.241 3.150 10 5 GGBEMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000552449168 567591580 /nfs/dbraw/zinc/59/15/80/567591580.db2.gz UJAUDSRKDHXIIW-UHFFFAOYSA-N 0 1 380.202 3.304 10 5 GGBEMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000552449168 567591585 /nfs/dbraw/zinc/59/15/85/567591585.db2.gz UJAUDSRKDHXIIW-UHFFFAOYSA-N 0 1 380.202 3.304 10 5 GGBEMN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505782640 567597429 /nfs/dbraw/zinc/59/74/29/567597429.db2.gz NQTDTYSLUCHHDU-JTQLQIEISA-N 0 1 379.210 3.424 10 5 GGBEMN O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505930042 567603709 /nfs/dbraw/zinc/60/37/09/567603709.db2.gz KIYKYZYTYPQNIW-CQSZACIVSA-N 0 1 393.193 3.317 10 5 GGBEMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC(CCO)C3)o2)c(Br)c1 ZINC000459593274 567641627 /nfs/dbraw/zinc/64/16/27/567641627.db2.gz NXFPVOGIQWJWOQ-UHFFFAOYSA-N 0 1 381.226 3.432 10 5 GGBEMN CN(C)[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1cccs1 ZINC000597095002 567680818 /nfs/dbraw/zinc/68/08/18/567680818.db2.gz UVKXQWUFWGTJDK-LBPRGKRZSA-N 0 1 383.861 3.316 10 5 GGBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc(Cl)c2Br)s1 ZINC000508094144 567729263 /nfs/dbraw/zinc/72/92/63/567729263.db2.gz KAGJPDOYZSAJNC-UHFFFAOYSA-N 0 1 398.647 3.268 10 5 GGBEMN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000004875838 570353068 /nfs/dbraw/zinc/35/30/68/570353068.db2.gz PSUSBOPMNDTESV-KRWDZBQOSA-N 0 1 383.408 3.351 10 5 GGBEMN CC(C)[C@H](NC[C@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160445 570555844 /nfs/dbraw/zinc/55/58/44/570555844.db2.gz IRGGZJFJLWKJTH-HOTGVXAUSA-N 0 1 392.456 3.108 10 5 GGBEMN CC(C)[C@@H](NC[C@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160449 570555909 /nfs/dbraw/zinc/55/59/09/570555909.db2.gz IRGGZJFJLWKJTH-JKSUJKDBSA-N 0 1 392.456 3.108 10 5 GGBEMN NC(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583623193 570801362 /nfs/dbraw/zinc/80/13/62/570801362.db2.gz WZBQWJJYRFUYCA-AWEZNQCLSA-N 0 1 395.419 3.056 10 5 GGBEMN COc1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1O ZINC000108387016 570987672 /nfs/dbraw/zinc/98/76/72/570987672.db2.gz XVSDSDDONJXPEG-QWHCGFSZSA-N 0 1 395.456 3.139 10 5 GGBEMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116446706 1412861575 /nfs/dbraw/zinc/86/15/75/1412861575.db2.gz FOKVFMRYOSKDJF-RYUDHWBXSA-N 0 1 385.330 3.400 10 5 GGBEMN CCOc1ccc([C@H](C)NCc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000153430303 1422532124 /nfs/dbraw/zinc/53/21/24/1422532124.db2.gz HRYIGFULQTVLLP-AWEZNQCLSA-N 0 1 392.477 3.389 10 5 GGBEMN