smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cccc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000158271877 531773345 /nfs/dbraw/zinc/77/33/45/531773345.db2.gz ZVTXCMHQKXWVNZ-UHFFFAOYSA-N -1 0 386.227 2.418 20 5 GEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1 ZINC000055583662 531795244 /nfs/dbraw/zinc/79/52/44/531795244.db2.gz BRFRBJTUXYGLDH-UHFFFAOYSA-N -1 0 385.785 2.157 20 5 GEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1 ZINC000058496167 531831586 /nfs/dbraw/zinc/83/15/86/531831586.db2.gz RJYPEKAKSWZPDP-UHFFFAOYSA-N -1 0 384.435 2.249 20 5 GEBDRM Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000102320761 531939752 /nfs/dbraw/zinc/93/97/52/531939752.db2.gz XGEAFMDVCDDIIT-UHFFFAOYSA-N -1 0 383.769 2.494 20 5 GEBDRM C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[S@](C)=O ZINC000124074918 532113901 /nfs/dbraw/zinc/11/39/01/532113901.db2.gz YZFHNZIABPZBSM-WODJRTHDSA-N -1 0 389.282 2.337 20 5 GEBDRM Cn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000124816696 532129276 /nfs/dbraw/zinc/12/92/76/532129276.db2.gz AUSBFZNVFLCRFX-UHFFFAOYSA-N -1 0 398.750 2.479 20 5 GEBDRM CCc1nc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)no1 ZINC000180301490 532266279 /nfs/dbraw/zinc/26/62/79/532266279.db2.gz ZUPUJFUPDAOBSN-UHFFFAOYSA-N -1 0 391.203 2.412 20 5 GEBDRM Cc1cc(C)nc(-n2nccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000135249852 532268986 /nfs/dbraw/zinc/26/89/86/532268986.db2.gz WUQUYJFLAHIGNA-UHFFFAOYSA-N -1 0 380.411 2.050 20 5 GEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000180817657 532282961 /nfs/dbraw/zinc/28/29/61/532282961.db2.gz RZDQTUYYUUVMIC-UHFFFAOYSA-N -1 0 377.407 2.450 20 5 GEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccc(Br)cn3n2)cc1 ZINC000186699309 532341786 /nfs/dbraw/zinc/34/17/86/532341786.db2.gz APEXIHHTWOGVQN-UHFFFAOYSA-N -1 0 398.198 2.201 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000558683430 532397835 /nfs/dbraw/zinc/39/78/35/532397835.db2.gz FFTYTNRDMSPDMY-FUXBKTLASA-N -1 0 376.818 2.334 20 5 GEBDRM CC(C)(CO)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000295264671 532428112 /nfs/dbraw/zinc/42/81/12/532428112.db2.gz LLOOLFHQDYQCDZ-UHFFFAOYSA-N -1 0 381.248 2.044 20 5 GEBDRM NC(=O)NCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000519201959 532458856 /nfs/dbraw/zinc/45/88/56/532458856.db2.gz NPZJSFOBNFAQFJ-UHFFFAOYSA-N -1 0 384.801 2.217 20 5 GEBDRM NC(=O)c1ccc(SCC(=O)Nc2cc(C(=O)[O-])cs2)c([N+](=O)[O-])c1 ZINC000562401687 532465137 /nfs/dbraw/zinc/46/51/37/532465137.db2.gz HCVCGPZLKKJWMV-UHFFFAOYSA-N -1 0 381.391 2.184 20 5 GEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000519600678 532470474 /nfs/dbraw/zinc/47/04/74/532470474.db2.gz PKXQNFBICRPVRT-CHWSQXEVSA-N -1 0 386.451 2.342 20 5 GEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@]1(O)CCCOC1 ZINC000593661266 532493800 /nfs/dbraw/zinc/49/38/00/532493800.db2.gz RUKGRUMJOJFXCD-CYBMUJFWSA-N -1 0 399.252 2.112 20 5 GEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC12CCSCC2 ZINC000563808470 532510220 /nfs/dbraw/zinc/51/02/20/532510220.db2.gz UNEXKZUQLFLSKF-SNVBAGLBSA-N -1 0 386.451 2.105 20 5 GEBDRM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000431297504 532510910 /nfs/dbraw/zinc/51/09/10/532510910.db2.gz ROKPKAOKCUCLRZ-ZETCQYMHSA-N -1 0 385.225 2.379 20 5 GEBDRM C[C@](CCF)(NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594720981 532522148 /nfs/dbraw/zinc/52/21/48/532522148.db2.gz RXGKAPILILJWSZ-LLVKDONJSA-N -1 0 388.295 2.095 20 5 GEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000431783634 532522805 /nfs/dbraw/zinc/52/28/05/532522805.db2.gz UKVCRIWGGBUZEE-SNVBAGLBSA-N -1 0 387.179 2.061 20 5 GEBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncnn1C ZINC000296510044 532524649 /nfs/dbraw/zinc/52/46/49/532524649.db2.gz ZPUBXDQPFWFKNU-LURJTMIESA-N -1 0 380.213 2.070 20 5 GEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000596087566 532585187 /nfs/dbraw/zinc/58/51/87/532585187.db2.gz HSXYAJGVXFCSNI-LLVKDONJSA-N -1 0 378.353 2.171 20 5 GEBDRM O=C([O-])[C@]1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCSC1 ZINC000262204229 532589153 /nfs/dbraw/zinc/58/91/53/532589153.db2.gz RGRZZKSFZNPELT-HNNXBMFYSA-N -1 0 379.419 2.408 20 5 GEBDRM Cc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(=O)n1C ZINC000434367423 532593672 /nfs/dbraw/zinc/59/36/72/532593672.db2.gz ASXSRBLJQOBEQQ-UHFFFAOYSA-N -1 0 382.170 2.322 20 5 GEBDRM COC[C@]1(C(=O)[O-])CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263147174 532617329 /nfs/dbraw/zinc/61/73/29/532617329.db2.gz XDEXHDCRJDDXRW-HNNXBMFYSA-N -1 0 388.829 2.290 20 5 GEBDRM CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000262683681 532597433 /nfs/dbraw/zinc/59/74/33/532597433.db2.gz UFAXHSRCCLWVJT-SNVBAGLBSA-N -1 0 395.231 2.279 20 5 GEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1SC ZINC000262955738 532608524 /nfs/dbraw/zinc/60/85/24/532608524.db2.gz LOUBEUHDRIUNNW-SSDOTTSWSA-N -1 0 382.316 2.461 20 5 GEBDRM O=C([O-])[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000263405839 532624414 /nfs/dbraw/zinc/62/44/14/532624414.db2.gz JQKMLKXVNAKPHI-SNVBAGLBSA-N -1 0 390.177 2.496 20 5 GEBDRM O=C(Nc1cc2ccc(Br)cn2n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436638924 532638977 /nfs/dbraw/zinc/63/89/77/532638977.db2.gz ICMPTEOHWHGFPV-UHFFFAOYSA-N -1 0 377.154 2.963 20 5 GEBDRM CCOC(=O)CSc1nnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000475606178 532641853 /nfs/dbraw/zinc/64/18/53/532641853.db2.gz WHEHANKUCRCTID-UHFFFAOYSA-N -1 0 384.395 2.059 20 5 GEBDRM Cc1nc(C)c(CNS(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)s1 ZINC000567797344 532664233 /nfs/dbraw/zinc/66/42/33/532664233.db2.gz PNBVOHXRZCJFQB-UHFFFAOYSA-N -1 0 385.423 2.153 20 5 GEBDRM CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000477141896 532646843 /nfs/dbraw/zinc/64/68/43/532646843.db2.gz VMVOCERADVIPDI-UHFFFAOYSA-N -1 0 388.398 2.079 20 5 GEBDRM Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cc1C ZINC000567346090 532650925 /nfs/dbraw/zinc/65/09/25/532650925.db2.gz TWBDTPMCBPZGEB-GFCCVEGCSA-N -1 0 384.435 2.247 20 5 GEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)n1 ZINC000599303575 532657581 /nfs/dbraw/zinc/65/75/81/532657581.db2.gz MMBDZGTWDJZYHQ-UHFFFAOYSA-N -1 0 378.863 2.344 20 5 GEBDRM O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000599910156 532670412 /nfs/dbraw/zinc/67/04/12/532670412.db2.gz IZLMFUYPXNELNI-QMMMGPOBSA-N -1 0 396.201 2.201 20 5 GEBDRM CCn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000536420179 532692156 /nfs/dbraw/zinc/69/21/56/532692156.db2.gz LNQDGRWPLWDPPK-UHFFFAOYSA-N -1 0 375.204 2.375 20 5 GEBDRM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000537042527 532702575 /nfs/dbraw/zinc/70/25/75/532702575.db2.gz SVAMKYBMVQHSFO-QUBYGPBYSA-N -1 0 389.282 2.292 20 5 GEBDRM Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])n1 ZINC000439941769 532703530 /nfs/dbraw/zinc/70/35/30/532703530.db2.gz YUQVNILHANEXTF-JTQLQIEISA-N -1 0 387.179 2.061 20 5 GEBDRM Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)n1 ZINC000439939292 532704154 /nfs/dbraw/zinc/70/41/54/532704154.db2.gz UIATVHPGKXQBGE-SNVBAGLBSA-N -1 0 397.185 2.037 20 5 GEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(C)c(Br)cn2)c([N+](=O)[O-])n1 ZINC000443418835 532747509 /nfs/dbraw/zinc/74/75/09/532747509.db2.gz UBQMZRISXLLIQI-UHFFFAOYSA-N -1 0 390.219 2.078 20 5 GEBDRM CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000500760099 532735239 /nfs/dbraw/zinc/73/52/39/532735239.db2.gz WGCMWEDFZWYVAT-UHFFFAOYSA-N -1 0 387.395 2.037 20 5 GEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000507767636 532759747 /nfs/dbraw/zinc/75/97/47/532759747.db2.gz FKGPBQUQJZIBOQ-JTQLQIEISA-N -1 0 378.353 2.410 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000325917085 532789450 /nfs/dbraw/zinc/78/94/50/532789450.db2.gz ZOZBJTJNPWQZNE-UHFFFAOYSA-N -1 0 391.814 2.190 20 5 GEBDRM O=C([O-])[C@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548585081 532791994 /nfs/dbraw/zinc/79/19/94/532791994.db2.gz XPFVEEIUHGMLHM-BXUZGUMPSA-N -1 0 382.419 2.288 20 5 GEBDRM O=C([O-])[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000327552631 532792266 /nfs/dbraw/zinc/79/22/66/532792266.db2.gz YTEKUUTVHKCASQ-GFCCVEGCSA-N -1 0 384.797 2.395 20 5 GEBDRM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000327635184 532792638 /nfs/dbraw/zinc/79/26/38/532792638.db2.gz ACEBBTJVMKGJKI-LBPRGKRZSA-N -1 0 376.406 2.379 20 5 GEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCCC1CC(F)(F)C1 ZINC000414351880 532821570 /nfs/dbraw/zinc/82/15/70/532821570.db2.gz SKDXKGFFIHPSCQ-UHFFFAOYSA-N -1 0 378.353 2.315 20 5 GEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C(F)(F)C2)c1 ZINC000289757806 532864395 /nfs/dbraw/zinc/86/43/95/532864395.db2.gz PEDUKIHDHYULMO-QMMMGPOBSA-N -1 0 398.771 2.287 20 5 GEBDRM O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000275296400 532871565 /nfs/dbraw/zinc/87/15/65/532871565.db2.gz QAVRRWOKDSCKEE-MGCOHNPYSA-N -1 0 376.818 2.418 20 5 GEBDRM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000738358180 599043092 /nfs/dbraw/zinc/04/30/92/599043092.db2.gz AGUAYJVEGOBQGG-UHFFFAOYSA-N -1 0 398.763 2.368 20 5 GEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC000818224368 596902283 /nfs/dbraw/zinc/90/22/83/596902283.db2.gz DBQKKDDIQQWXIL-MRVPVSSYSA-N -1 0 387.186 2.445 20 5 GEBDRM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000737296250 599236673 /nfs/dbraw/zinc/23/66/73/599236673.db2.gz GZPYKLRKRPVHFJ-UHFFFAOYSA-N -1 0 392.372 2.332 20 5 GEBDRM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)[O-] ZINC000224703273 597190011 /nfs/dbraw/zinc/19/00/11/597190011.db2.gz PRWDBMKSFCJOQY-SNVBAGLBSA-N -1 0 392.149 2.038 20 5 GEBDRM CS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000818648496 597311461 /nfs/dbraw/zinc/31/14/61/597311461.db2.gz SAWJNFDXLXEYMT-UHFFFAOYSA-N -1 0 379.346 2.054 20 5 GEBDRM O=C([O-])[C@@H]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000819151746 597536360 /nfs/dbraw/zinc/53/63/60/597536360.db2.gz VXRVEDSNLFGZBP-LLVKDONJSA-N -1 0 376.394 2.063 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(C(=O)[O-])c1 ZINC000820853401 598145545 /nfs/dbraw/zinc/14/55/45/598145545.db2.gz LBZRTVYAPRVPNC-JTQLQIEISA-N -1 0 388.332 2.486 20 5 GEBDRM COc1ccc([C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1 ZINC000558000171 599760934 /nfs/dbraw/zinc/76/09/34/599760934.db2.gz HUOKBGRRMWKGMW-KRWDZBQOSA-N -1 0 396.359 2.345 20 5 GEBDRM CCCC(=O)NC[C@H]1CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736951473 599783392 /nfs/dbraw/zinc/78/33/92/599783392.db2.gz GHZWORDXTZWNKD-LLVKDONJSA-N -1 0 394.384 2.334 20 5 GEBDRM C[C@H]1Oc2ccc(C(=O)COc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2NC1=O ZINC000736833545 599794301 /nfs/dbraw/zinc/79/43/01/599794301.db2.gz FVYBWDVYBYOVKI-SECBINFHSA-N -1 0 386.316 2.274 20 5 GEBDRM COc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000737967821 599799965 /nfs/dbraw/zinc/79/99/65/599799965.db2.gz DTEIRLMKDWTDCC-HNNXBMFYSA-N -1 0 380.378 2.016 20 5 GEBDRM O=C([O-])CCc1ccc(N[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000739764038 599859010 /nfs/dbraw/zinc/85/90/10/599859010.db2.gz PQBPQINVUPHRNH-MRXNPFEDSA-N -1 0 383.360 2.356 20 5 GEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000262303100 599863487 /nfs/dbraw/zinc/86/34/87/599863487.db2.gz OBTFJHOGWBPPGY-CQSZACIVSA-N -1 0 388.376 2.428 20 5 GEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000363032118 599877627 /nfs/dbraw/zinc/87/76/27/599877627.db2.gz CKNFADWLTBFIAY-OAHLLOKOSA-N -1 0 376.390 2.103 20 5 GEBDRM O=C([O-])c1coc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000740270645 599880819 /nfs/dbraw/zinc/88/08/19/599880819.db2.gz OAJJAOILTWBYPR-UHFFFAOYSA-N -1 0 376.321 2.080 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000738068701 599934759 /nfs/dbraw/zinc/93/47/59/599934759.db2.gz ORDYTIVHCJCYQW-UHFFFAOYSA-N -1 0 380.378 2.089 20 5 GEBDRM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000736239562 599940594 /nfs/dbraw/zinc/94/05/94/599940594.db2.gz JBBJCYCHNOGXQB-ZDUSSCGKSA-N -1 0 377.397 2.060 20 5 GEBDRM Nc1c(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC000739199974 599944144 /nfs/dbraw/zinc/94/41/44/599944144.db2.gz BLEFXVKDHQKDOI-JTQLQIEISA-N -1 0 379.319 2.129 20 5 GEBDRM 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COC[C@@](C)(NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262240501 601698650 /nfs/dbraw/zinc/69/86/50/601698650.db2.gz WMVACYRPAFMPJA-QHRIQVFBSA-N -1 0 393.440 2.297 20 5 GEBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2[N+](=O)[O-])C1 ZINC000262073148 601737162 /nfs/dbraw/zinc/73/71/62/601737162.db2.gz COPDEOGQRYBFJS-VLXJIEOASA-N -1 0 391.424 2.051 20 5 GEBDRM O=C([O-])CCCc1csc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000833229242 601746131 /nfs/dbraw/zinc/74/61/31/601746131.db2.gz HQPIZRGMKFINFQ-UHFFFAOYSA-N -1 0 379.350 2.440 20 5 GEBDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000548527639 601810019 /nfs/dbraw/zinc/81/00/19/601810019.db2.gz SXEGUPLGFNAOND-ZDUSSCGKSA-N -1 0 388.760 2.492 20 5 GEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000582294296 601811330 /nfs/dbraw/zinc/81/13/30/601811330.db2.gz GLQCKHDQPLEUFN-OAHLLOKOSA-N -1 0 382.369 2.455 20 5 GEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1F ZINC000833124781 601821963 /nfs/dbraw/zinc/82/19/63/601821963.db2.gz OUBKOKYKUZMEAY-CQSZACIVSA-N -1 0 376.296 2.061 20 5 GEBDRM O=C([O-])N[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000740690029 601850641 /nfs/dbraw/zinc/85/06/41/601850641.db2.gz RXZDKCKGINTOAJ-KRWDZBQOSA-N -1 0 384.392 2.252 20 5 GEBDRM COc1cc(OCC(=O)NCC2(NC(=O)[O-])CCCCC2)ccc1[N+](=O)[O-] ZINC000739870203 601857739 /nfs/dbraw/zinc/85/77/39/601857739.db2.gz CMOIKLZGUXTGNK-UHFFFAOYSA-N -1 0 381.385 2.069 20 5 GEBDRM C[C@]1(C(=O)[O-])CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000262967002 601864453 /nfs/dbraw/zinc/86/44/53/601864453.db2.gz APUVSKGARYXIDL-KRWDZBQOSA-N -1 0 397.453 2.070 20 5 GEBDRM O=C([O-])NCCc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000740672845 601891118 /nfs/dbraw/zinc/89/11/18/601891118.db2.gz YCEGQUCVPLLKSL-UHFFFAOYSA-N -1 0 383.364 2.211 20 5 GEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000262100772 602013622 /nfs/dbraw/zinc/01/36/22/602013622.db2.gz CGNDORJEDVCNDB-AWEZNQCLSA-N -1 0 376.287 2.473 20 5 GEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000832917859 602014102 /nfs/dbraw/zinc/01/41/02/602014102.db2.gz XFVLXXUVDMZTPU-UHFFFAOYSA-N -1 0 391.311 2.118 20 5 GEBDRM O=C([O-])N1CCN(c2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])nc2)CC1 ZINC000740462754 602124280 /nfs/dbraw/zinc/12/42/80/602124280.db2.gz BCCFYFWNPHNZHE-UHFFFAOYSA-N -1 0 389.343 2.181 20 5 GEBDRM COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739908256 602130208 /nfs/dbraw/zinc/13/02/08/602130208.db2.gz ODXNSFXAPDHRAJ-WCQYABFASA-N -1 0 380.401 2.181 20 5 GEBDRM CC[C@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000818140550 602134631 /nfs/dbraw/zinc/13/46/31/602134631.db2.gz HDKKJBOZVGLMDJ-INIZCTEOSA-N -1 0 385.376 2.428 20 5 GEBDRM O=C([O-])Nc1ccccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000740714406 602177908 /nfs/dbraw/zinc/17/79/08/602177908.db2.gz QKMSGLGLTFRQFW-UHFFFAOYSA-N -1 0 386.320 2.049 20 5 GEBDRM O=C([O-])c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000833340236 602183014 /nfs/dbraw/zinc/18/30/14/602183014.db2.gz FRCRSCIDVCXPAU-SECBINFHSA-N -1 0 379.350 2.191 20 5 GEBDRM O=C([O-])NCc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000740676924 602202196 /nfs/dbraw/zinc/20/21/96/602202196.db2.gz WRLQTSGUYLDHKA-UHFFFAOYSA-N -1 0 386.364 2.121 20 5 GEBDRM Cc1nn(CCC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000740255055 602248847 /nfs/dbraw/zinc/24/88/47/602248847.db2.gz YHMFNXNENXVFQL-HNNXBMFYSA-N -1 0 393.444 2.179 20 5 GEBDRM CCS(=O)(=O)N1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830130425 602250097 /nfs/dbraw/zinc/25/00/97/602250097.db2.gz BAMITMIAOBOOFR-UHFFFAOYSA-N -1 0 391.833 2.172 20 5 GEBDRM CCS(=O)(=O)N(C)CCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830130438 602251711 /nfs/dbraw/zinc/25/17/11/602251711.db2.gz BVQIDMHLXYGKIE-UHFFFAOYSA-N -1 0 379.822 2.030 20 5 GEBDRM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000767211346 602251909 /nfs/dbraw/zinc/25/19/09/602251909.db2.gz GRYAAPYYTMHLOY-UHFFFAOYSA-N -1 0 396.352 2.396 20 5 GEBDRM COCCCNC(=O)C1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000831696805 602253142 /nfs/dbraw/zinc/25/31/42/602253142.db2.gz OCKZDYMJEALLBN-UHFFFAOYSA-N -1 0 399.831 2.316 20 5 GEBDRM O=C([O-])N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2ccccc2C1 ZINC000740526555 602256058 /nfs/dbraw/zinc/25/60/58/602256058.db2.gz KSWAPHRELSXMPI-UHFFFAOYSA-N -1 0 396.403 2.484 20 5 GEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1C ZINC000740099643 602267500 /nfs/dbraw/zinc/26/75/00/602267500.db2.gz PDFYVEWDNITRMO-QWHCGFSZSA-N -1 0 385.442 2.411 20 5 GEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])c1C ZINC000740100642 602270207 /nfs/dbraw/zinc/27/02/07/602270207.db2.gz VZZVYSJKJPISCA-JSGCOSHPSA-N -1 0 385.442 2.411 20 5 GEBDRM C[C@@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000827873178 602287123 /nfs/dbraw/zinc/28/71/23/602287123.db2.gz DMZOQVRWWVYNHS-MRVPVSSYSA-N -1 0 377.284 2.011 20 5 GEBDRM CCOCCCNC(=O)C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000830000380 602313554 /nfs/dbraw/zinc/31/35/54/602313554.db2.gz GOVXCSKUKVCQKJ-UHFFFAOYSA-N -1 0 393.440 2.361 20 5 GEBDRM O=C([O-])N[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000740683998 602338603 /nfs/dbraw/zinc/33/86/03/602338603.db2.gz AAPMWGMQNLOFSX-QGZVFWFLSA-N -1 0 384.392 2.252 20 5 GEBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCNC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739076443 602350933 /nfs/dbraw/zinc/35/09/33/602350933.db2.gz BKBOXQIXGTULGW-BETUJISGSA-N -1 0 378.429 2.465 20 5 GEBDRM COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cc1SC ZINC000739869721 602418502 /nfs/dbraw/zinc/41/85/02/602418502.db2.gz 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380.357 2.192 20 5 GEBDRM CN(C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739664013 602490132 /nfs/dbraw/zinc/49/01/32/602490132.db2.gz PIOUWLXXHOSAKK-SECBINFHSA-N -1 0 393.368 2.027 20 5 GEBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1SC ZINC000739871826 602491541 /nfs/dbraw/zinc/49/15/41/602491541.db2.gz NPFGNOJSJANQLS-JTQLQIEISA-N -1 0 383.426 2.397 20 5 GEBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1SC ZINC000739871827 602491622 /nfs/dbraw/zinc/49/16/22/602491622.db2.gz NPFGNOJSJANQLS-SNVBAGLBSA-N -1 0 383.426 2.397 20 5 GEBDRM O=C([O-])N1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000740505920 602491901 /nfs/dbraw/zinc/49/19/01/602491901.db2.gz GPLSBWLRZRZQRD-SSDOTTSWSA-N -1 0 383.304 2.053 20 5 GEBDRM NS(=O)(=O)c1ccc(Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c([N+](=O)[O-])c1 ZINC000740341748 602492098 /nfs/dbraw/zinc/49/20/98/602492098.db2.gz DBDJIEIXGZKCFP-UHFFFAOYSA-N -1 0 392.393 2.022 20 5 GEBDRM CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739342932 602514871 /nfs/dbraw/zinc/51/48/71/602514871.db2.gz CRLDNCUVHCCLHN-AWEZNQCLSA-N -1 0 387.396 2.385 20 5 GEBDRM CN(C(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000739593911 602529778 /nfs/dbraw/zinc/52/97/78/602529778.db2.gz NCIDJWIOXXTQMN-UHFFFAOYSA-N -1 0 376.413 2.409 20 5 GEBDRM O=C([O-])NCC1(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000740611441 602564338 /nfs/dbraw/zinc/56/43/38/602564338.db2.gz BRHYUNFAUQMCGI-UHFFFAOYSA-N -1 0 377.806 2.107 20 5 GEBDRM O=C([O-])NCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000740620870 602564790 /nfs/dbraw/zinc/56/47/90/602564790.db2.gz TWIUWOOMHRSUOY-UHFFFAOYSA-N -1 0 377.806 2.107 20 5 GEBDRM O=C([O-])N1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000740419640 602583170 /nfs/dbraw/zinc/58/31/70/602583170.db2.gz WKNNQVWRUHZAJZ-CQSZACIVSA-N -1 0 376.413 2.457 20 5 GEBDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000739006758 602592343 /nfs/dbraw/zinc/59/23/43/602592343.db2.gz HKZSDEPLRPJRDD-JTQLQIEISA-N -1 0 388.380 2.357 20 5 GEBDRM C[C@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000738630578 602644203 /nfs/dbraw/zinc/64/42/03/602644203.db2.gz KVMDWTJQMNPBTA-SECBINFHSA-N -1 0 398.331 2.308 20 5 GEBDRM C[C@H](NC(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000739017762 602685940 /nfs/dbraw/zinc/68/59/40/602685940.db2.gz SSDVEMPEKRMFAM-NSHDSACASA-N -1 0 376.413 2.360 20 5 GEBDRM O=C([O-])N1CCN(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc2)CC1 ZINC000740463410 602696108 /nfs/dbraw/zinc/69/61/08/602696108.db2.gz PGCGKDWLLLHIPJ-UHFFFAOYSA-N -1 0 389.343 2.181 20 5 GEBDRM Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740280478 602774377 /nfs/dbraw/zinc/77/43/77/602774377.db2.gz MAMWEVDSECHYOV-WFASDCNBSA-N -1 0 387.396 2.161 20 5 GEBDRM CN(CC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000828091519 602789732 /nfs/dbraw/zinc/78/97/32/602789732.db2.gz ZXQOHLDVVCQRON-GJZGRUSLSA-N -1 0 390.440 2.412 20 5 GEBDRM CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825194413 607586997 /nfs/dbraw/zinc/58/69/97/607586997.db2.gz QOSQZWBTRIKMMX-QWRGUYRKSA-N -1 0 380.430 2.022 20 5 GEBDRM CN(CC(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2)c1ccccc1[N+](=O)[O-] ZINC000828120374 602892764 /nfs/dbraw/zinc/89/27/64/602892764.db2.gz LROPZTAHPQSKSH-UHFFFAOYSA-N -1 0 391.409 2.162 20 5 GEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000740174678 602893609 /nfs/dbraw/zinc/89/36/09/602893609.db2.gz KNHFQRZBWCEXEE-MRXNPFEDSA-N -1 0 387.348 2.394 20 5 GEBDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000738805879 602997367 /nfs/dbraw/zinc/99/73/67/602997367.db2.gz GHISWQKZJNPDBK-CYBMUJFWSA-N -1 0 389.412 2.407 20 5 GEBDRM CC(C)(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[O-])CC1 ZINC000738659863 603006518 /nfs/dbraw/zinc/00/65/18/603006518.db2.gz SGJBNWKDELZECS-UHFFFAOYSA-N -1 0 392.456 2.108 20 5 GEBDRM O=C([O-])NC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000740610090 603062275 /nfs/dbraw/zinc/06/22/75/603062275.db2.gz BYVHWRNLJFRLDE-OAHLLOKOSA-N -1 0 376.413 2.361 20 5 GEBDRM CCN([C@@H]1CCCC[C@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825394385 607604786 /nfs/dbraw/zinc/60/47/86/607604786.db2.gz BIYHHXSJEISXJY-VXGBXAGGSA-N -1 0 394.457 2.364 20 5 GEBDRM CCOc1ccc(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739493103 603092341 /nfs/dbraw/zinc/09/23/41/603092341.db2.gz BQQOVBMORLCOPG-GXFFZTMASA-N -1 0 381.385 2.227 20 5 GEBDRM CCOc1ccc(C(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739493106 603092483 /nfs/dbraw/zinc/09/24/83/603092483.db2.gz BQQOVBMORLCOPG-MFKMUULPSA-N -1 0 381.385 2.227 20 5 GEBDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000739208028 603097846 /nfs/dbraw/zinc/09/78/46/603097846.db2.gz QZQJDJMCWVPOOS-LKFCYVNXSA-N -1 0 376.369 2.309 20 5 GEBDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000740581868 603117525 /nfs/dbraw/zinc/11/75/25/603117525.db2.gz PQLBBLGKFQMZBX-RYUDHWBXSA-N -1 0 376.325 2.124 20 5 GEBDRM O=C([O-])NC[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000832546467 603120830 /nfs/dbraw/zinc/12/08/30/603120830.db2.gz OKMDVJIUIYCPBT-CQSZACIVSA-N -1 0 379.416 2.413 20 5 GEBDRM O=C([O-])N(CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000831815669 603137161 /nfs/dbraw/zinc/13/71/61/603137161.db2.gz PWFBUNJYIOKQES-UHFFFAOYSA-N -1 0 377.397 2.355 20 5 GEBDRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000831284754 603137193 /nfs/dbraw/zinc/13/71/93/603137193.db2.gz WOOAXANXPGQTRG-CQSZACIVSA-N -1 0 381.410 2.018 20 5 GEBDRM O=C([O-])NC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000832512545 603137666 /nfs/dbraw/zinc/13/76/66/603137666.db2.gz FQASMIIFRRJJQP-BXKDBHETSA-N -1 0 391.833 2.353 20 5 GEBDRM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739274204 603139791 /nfs/dbraw/zinc/13/97/91/603139791.db2.gz VRXFIXNTPQOQML-CYBMUJFWSA-N -1 0 390.400 2.234 20 5 GEBDRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000740628267 603304516 /nfs/dbraw/zinc/30/45/16/603304516.db2.gz QENQUVBCHASAKJ-ZIAGYGMSSA-N -1 0 376.413 2.361 20 5 GEBDRM C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739163463 603351189 /nfs/dbraw/zinc/35/11/89/603351189.db2.gz AEFWBAIVGVKUBQ-OCCSQVGLSA-N -1 0 376.413 2.313 20 5 GEBDRM C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739163460 603351399 /nfs/dbraw/zinc/35/13/99/603351399.db2.gz AEFWBAIVGVKUBQ-JSGCOSHPSA-N -1 0 376.413 2.313 20 5 GEBDRM CN(CC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000828089665 603423257 /nfs/dbraw/zinc/42/32/57/603423257.db2.gz BJCDWKJZYBKDJI-HNNXBMFYSA-N -1 0 390.440 2.412 20 5 GEBDRM CCN(CC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827104605 603479213 /nfs/dbraw/zinc/47/92/13/603479213.db2.gz GCKNDGAAXYMZCX-UHFFFAOYSA-N -1 0 389.405 2.135 20 5 GEBDRM CCN(CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1)C(=O)[O-] ZINC000827105000 603480963 /nfs/dbraw/zinc/48/09/63/603480963.db2.gz OHYNEINLTGQKTC-UHFFFAOYSA-N -1 0 385.442 2.304 20 5 GEBDRM CCN(CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1)C(=O)[O-] ZINC000827104610 603481219 /nfs/dbraw/zinc/48/12/19/603481219.db2.gz GJCGMKGJNWXBMS-UHFFFAOYSA-N -1 0 389.405 2.135 20 5 GEBDRM CS(=O)(=O)c1cc(C(=O)Oc2cccc(NC(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000829691869 603484847 /nfs/dbraw/zinc/48/48/47/603484847.db2.gz RSNZPFPMXGNZMI-UHFFFAOYSA-N -1 0 380.334 2.307 20 5 GEBDRM O=C([O-])N(CC1CC1)C1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000831826138 603495002 /nfs/dbraw/zinc/49/50/02/603495002.db2.gz LEUKINBKURJIDX-UHFFFAOYSA-N -1 0 390.396 2.315 20 5 GEBDRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000827871143 603518998 /nfs/dbraw/zinc/51/89/98/603518998.db2.gz LSQVTGHKEVRSTQ-VIFPVBQESA-N -1 0 391.302 2.360 20 5 GEBDRM CCN(CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1)C(=O)[O-] ZINC000827092389 603539849 /nfs/dbraw/zinc/53/98/49/603539849.db2.gz BEQJYDBPTUKDAH-UHFFFAOYSA-N -1 0 390.440 2.196 20 5 GEBDRM CC(C)[C@H](CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NC(=O)[O-] ZINC000824091956 603557334 /nfs/dbraw/zinc/55/73/34/603557334.db2.gz MSFDUGCPURPPKD-LBPRGKRZSA-N -1 0 381.385 2.120 20 5 GEBDRM CCOc1ccc(NC(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000827439985 603579906 /nfs/dbraw/zinc/57/99/06/603579906.db2.gz VMLUUAATYVYHNE-LBPRGKRZSA-N -1 0 380.401 2.006 20 5 GEBDRM Cc1ccc(NC(=O)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000738614442 603590494 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O=C([O-])[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccn1 ZINC000833124716 601632851 /nfs/dbraw/zinc/63/28/51/601632851.db2.gz DKGLZWSBSBMCJD-GFCCVEGCSA-N -1 0 398.144 2.447 20 5 GEBDRM O=C([O-])c1ccc(COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1F ZINC000833119896 601719975 /nfs/dbraw/zinc/71/99/75/601719975.db2.gz VFVBEYMHBVSFRA-UHFFFAOYSA-N -1 0 390.279 2.083 20 5 GEBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2[N+](=O)[O-])C1 ZINC000262073153 601737044 /nfs/dbraw/zinc/73/70/44/601737044.db2.gz COPDEOGQRYBFJS-VPZZIHKRSA-N -1 0 391.424 2.051 20 5 GEBDRM O=C([O-])c1sccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000833348863 601808502 /nfs/dbraw/zinc/80/85/02/601808502.db2.gz SPKXCHXFCUBGFT-UHFFFAOYSA-N -1 0 381.435 2.374 20 5 GEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000548525233 601810618 /nfs/dbraw/zinc/81/06/18/601810618.db2.gz WADOHOWTQDDOBK-OAHLLOKOSA-N -1 0 382.369 2.401 20 5 GEBDRM 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C[C@@H](OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000739043391 602040324 /nfs/dbraw/zinc/04/03/24/602040324.db2.gz NPFSWVJOJCSHQL-LLVKDONJSA-N -1 0 389.368 2.419 20 5 GEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)c1F ZINC000760340619 602111348 /nfs/dbraw/zinc/11/13/48/602111348.db2.gz STEKYCNOIKRKJM-UHFFFAOYSA-N -1 0 380.353 2.492 20 5 GEBDRM CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000829602717 602146861 /nfs/dbraw/zinc/14/68/61/602146861.db2.gz WQROCNBZIAMBIB-UHFFFAOYSA-N -1 0 393.396 2.374 20 5 GEBDRM O=C([O-])c1csc(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c1 ZINC000833343162 602183428 /nfs/dbraw/zinc/18/34/28/602183428.db2.gz YXIUAAVFKJOKFI-UHFFFAOYSA-N -1 0 395.305 2.286 20 5 GEBDRM C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738953565 602200222 /nfs/dbraw/zinc/20/02/22/602200222.db2.gz ZOQSTJWTEVUAKW-NXEZZACHSA-N -1 0 398.803 2.081 20 5 GEBDRM O=C([O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2C1 ZINC000740526702 602246924 /nfs/dbraw/zinc/24/69/24/602246924.db2.gz HTDCHJKDKGDBMO-UHFFFAOYSA-N -1 0 395.368 2.423 20 5 GEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCNS(=O)(=O)c2ccccc2)cc1Cl ZINC000833308443 602250951 /nfs/dbraw/zinc/25/09/51/602250951.db2.gz XDYAXAJZAUXXFD-UHFFFAOYSA-N -1 0 399.812 2.337 20 5 GEBDRM CS(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC000832713635 602257533 /nfs/dbraw/zinc/25/75/33/602257533.db2.gz JBZAZKLLNJBZQB-UHFFFAOYSA-N -1 0 382.325 2.088 20 5 GEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000738998886 602268068 /nfs/dbraw/zinc/26/80/68/602268068.db2.gz GILKCTJMYJTZNA-SKDRFNHKSA-N -1 0 391.833 2.448 20 5 GEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c1C ZINC000740100644 602270148 /nfs/dbraw/zinc/27/01/48/602270148.db2.gz VZZVYSJKJPISCA-OCCSQVGLSA-N -1 0 385.442 2.411 20 5 GEBDRM O=C([O-])c1c(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)sc2c1CCC2 ZINC000833122500 602309679 /nfs/dbraw/zinc/30/96/79/602309679.db2.gz CKAOFBVDTCJFQJ-UHFFFAOYSA-N -1 0 397.796 2.297 20 5 GEBDRM CC[C@@](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)(C(=O)[O-])c1ccccc1 ZINC000828994294 602318110 /nfs/dbraw/zinc/31/81/10/602318110.db2.gz RNYUNSVJUNRMAI-KRWDZBQOSA-N -1 0 394.405 2.272 20 5 GEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000833306548 602326777 /nfs/dbraw/zinc/32/67/77/602326777.db2.gz BLUGOUDRJXNGIA-LLVKDONJSA-N -1 0 392.368 2.404 20 5 GEBDRM CN(CC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739663350 602390163 /nfs/dbraw/zinc/39/01/63/602390163.db2.gz GJRAFBMSLOEGJJ-UHFFFAOYSA-N -1 0 391.833 2.259 20 5 GEBDRM O=C([O-])N1CC[C@H](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000740428151 602412860 /nfs/dbraw/zinc/41/28/60/602412860.db2.gz OREKGVHUFFXPBN-ZDUSSCGKSA-N -1 0 376.413 2.315 20 5 GEBDRM C[C@H](NC(=O)[O-])C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000739016393 602453448 /nfs/dbraw/zinc/45/34/48/602453448.db2.gz GIVJRBFGARZPHS-VIFPVBQESA-N -1 0 391.833 2.305 20 5 GEBDRM O=C([O-])N1CC[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000740358303 602476184 /nfs/dbraw/zinc/47/61/84/602476184.db2.gz FZTPITSWVGMTDF-JTQLQIEISA-N -1 0 390.318 2.284 20 5 GEBDRM CN(C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739657394 602477043 /nfs/dbraw/zinc/47/70/43/602477043.db2.gz RCRIUYYUBKUTMM-ZDUSSCGKSA-N -1 0 376.413 2.267 20 5 GEBDRM O=C([O-])N1CCC(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000740496964 602486017 /nfs/dbraw/zinc/48/60/17/602486017.db2.gz RGDQPBRQCHZFRH-UHFFFAOYSA-N -1 0 393.368 2.393 20 5 GEBDRM Cc1nn(CCC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c(C)c1[N+](=O)[O-] ZINC000740250969 602486575 /nfs/dbraw/zinc/48/65/75/602486575.db2.gz CMXZAUSXZYDXDA-UHFFFAOYSA-N -1 0 387.396 2.473 20 5 GEBDRM O=C([O-])N1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000740381972 602554053 /nfs/dbraw/zinc/55/40/53/602554053.db2.gz KOPGBVGYMOHFJV-GFCCVEGCSA-N -1 0 385.760 2.262 20 5 GEBDRM O=C([O-])NCC1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000740611433 602564536 /nfs/dbraw/zinc/56/45/36/602564536.db2.gz BMEOEUMUVUIWBK-UHFFFAOYSA-N -1 0 377.806 2.107 20 5 GEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000736380312 602566017 /nfs/dbraw/zinc/56/60/17/602566017.db2.gz QQDDBBQKFFOMAB-SWLSCSKDSA-N -1 0 393.396 2.035 20 5 GEBDRM O=C([O-])N1CCCc2cc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000740373040 602577033 /nfs/dbraw/zinc/57/70/33/602577033.db2.gz BLTPMPFXPJIHGY-UHFFFAOYSA-N -1 0 398.375 2.394 20 5 GEBDRM COc1ccc(CSCC(=O)NC[C@H]2CCCN2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739905024 602587831 /nfs/dbraw/zinc/58/78/31/602587831.db2.gz ZCWGTZSGBPSZPL-GFCCVEGCSA-N -1 0 383.426 2.095 20 5 GEBDRM CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739351252 602621387 /nfs/dbraw/zinc/62/13/87/602621387.db2.gz LHLPMVOLCSDLMS-CQSZACIVSA-N -1 0 380.401 2.277 20 5 GEBDRM O=C([O-])N1CC[C@@H](OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000740719886 602685811 /nfs/dbraw/zinc/68/58/11/602685811.db2.gz IEURANKWQHRMMQ-SECBINFHSA-N -1 0 378.259 2.445 20 5 GEBDRM Cc1c(CO)cc([N+](=O)[O-])c(N2CCC([C@@H](C)NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740052305 602686910 /nfs/dbraw/zinc/68/69/10/602686910.db2.gz KWMLOVVGZJHEQQ-SNVBAGLBSA-N -1 0 382.373 2.176 20 5 GEBDRM Cc1ccccc1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826305844 607577577 /nfs/dbraw/zinc/57/75/77/607577577.db2.gz KAGSCHARJZWXLM-NSHDSACASA-N -1 0 388.409 2.123 20 5 GEBDRM CN(CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)C(=O)[O-] ZINC000739657884 602705435 /nfs/dbraw/zinc/70/54/35/602705435.db2.gz ATSGXDHDZFQDLL-INIZCTEOSA-N -1 0 376.413 2.022 20 5 GEBDRM C[C@H](NC(=O)[O-])C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000739030254 602707330 /nfs/dbraw/zinc/70/73/30/602707330.db2.gz YYSNUKGRUBXOGS-LRDDRELGSA-N -1 0 376.413 2.068 20 5 GEBDRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000739157786 602719411 /nfs/dbraw/zinc/71/94/11/602719411.db2.gz ZJTALAHKDKNPPA-AWEZNQCLSA-N -1 0 379.416 2.365 20 5 GEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739496417 602760321 /nfs/dbraw/zinc/76/03/21/602760321.db2.gz LTBUKLYTUIELHZ-PHIMTYICSA-N -1 0 381.385 2.215 20 5 GEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1OC ZINC000739498375 602765997 /nfs/dbraw/zinc/76/59/97/602765997.db2.gz TVLLUMIVVMEGGH-CMPLNLGQSA-N -1 0 381.385 2.168 20 5 GEBDRM CCOc1cc(C(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000739486900 602767628 /nfs/dbraw/zinc/76/76/28/602767628.db2.gz LMCZTJYKCGKDSD-QWRGUYRKSA-N -1 0 381.385 2.215 20 5 GEBDRM Cc1c(C(=O)N2CCCC[C@@H]2CNC(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000740035096 602798985 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XKBNMDCMOOWHGE-UHFFFAOYSA-N -1 0 385.380 2.351 20 5 GEBDRM CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCC(NC(=O)[O-])CC1 ZINC000827945795 603473184 /nfs/dbraw/zinc/47/31/84/603473184.db2.gz SDZLRCGSCYBQOO-UHFFFAOYSA-N -1 0 387.396 2.431 20 5 GEBDRM CCN(CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1)C(=O)[O-] ZINC000827104631 603479206 /nfs/dbraw/zinc/47/92/06/603479206.db2.gz HFSMCWFWXXMZIC-UHFFFAOYSA-N -1 0 385.442 2.304 20 5 GEBDRM Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830044514 603731074 /nfs/dbraw/zinc/73/10/74/603731074.db2.gz HQFQXWJZVDZRTA-JTQLQIEISA-N -1 0 391.833 2.225 20 5 GEBDRM Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830044195 603731077 /nfs/dbraw/zinc/73/10/77/603731077.db2.gz DIKADBYZOXKXEB-JTQLQIEISA-N -1 0 391.833 2.225 20 5 GEBDRM CCN(CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000827080305 603749900 /nfs/dbraw/zinc/74/99/00/603749900.db2.gz XKZXJGAMYRLAHJ-UHFFFAOYSA-N -1 0 380.357 2.355 20 5 GEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826500260 607650215 /nfs/dbraw/zinc/65/02/15/607650215.db2.gz QIPLCNDRRHYVGJ-QJPTWQEYSA-N -1 0 392.441 2.022 20 5 GEBDRM O=C(COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])Nc1ccccc1[N+](=O)[O-] ZINC000831503981 603809157 /nfs/dbraw/zinc/80/91/57/603809157.db2.gz RHZBRDXQWQQXHD-YHWZYXNKSA-N -1 0 391.380 2.388 20 5 GEBDRM C[C@H](OC(=O)[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000825598333 603833552 /nfs/dbraw/zinc/83/35/52/603833552.db2.gz JSJFZIAWKMHSPU-NHYWBVRUSA-N -1 0 387.348 2.474 20 5 GEBDRM C[C@H](OC(=O)[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000825601995 603837462 /nfs/dbraw/zinc/83/74/62/603837462.db2.gz FTHLWOOMYMJAKB-XHDPSFHLSA-N -1 0 387.348 2.474 20 5 GEBDRM Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829876302 603847416 /nfs/dbraw/zinc/84/74/16/603847416.db2.gz FDNGTNINDYQWLY-GMXVVIOVSA-N -1 0 379.369 2.210 20 5 GEBDRM O=C(C[C@H]1CCCN1C(=O)[O-])OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000831346488 603932136 /nfs/dbraw/zinc/93/21/36/603932136.db2.gz UKYBILLUXQQNMW-GFCCVEGCSA-N -1 0 376.325 2.221 20 5 GEBDRM O=C(C[C@@H]1CCCN1C(=O)[O-])OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000831346492 603932186 /nfs/dbraw/zinc/93/21/86/603932186.db2.gz UKYBILLUXQQNMW-LBPRGKRZSA-N -1 0 376.325 2.221 20 5 GEBDRM CCOc1ccc(NC(=O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([N+](=O)[O-])c1 ZINC000827440055 603977007 /nfs/dbraw/zinc/97/70/07/603977007.db2.gz XDRVABQFKPLKNI-OLZOCXBDSA-N -1 0 392.412 2.149 20 5 GEBDRM C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000825602001 604012896 /nfs/dbraw/zinc/01/28/96/604012896.db2.gz FWPQNHRAWYKWMH-SECBINFHSA-N -1 0 377.309 2.139 20 5 GEBDRM Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(CNC(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC000829877793 604017790 /nfs/dbraw/zinc/01/77/90/604017790.db2.gz UVUGOXVEMGWJGG-SNVBAGLBSA-N -1 0 391.336 2.448 20 5 GEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830138205 604047092 /nfs/dbraw/zinc/04/70/92/604047092.db2.gz NZIPFVARPKCGDG-OLZOCXBDSA-N -1 0 383.426 2.117 20 5 GEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000825279372 604055120 /nfs/dbraw/zinc/05/51/20/604055120.db2.gz BGTRXYUDHMSQDP-VXGBXAGGSA-N -1 0 378.385 2.424 20 5 GEBDRM Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829876026 604056098 /nfs/dbraw/zinc/05/60/98/604056098.db2.gz CMVSLKDCYOQEIU-QJPTWQEYSA-N -1 0 379.369 2.210 20 5 GEBDRM O=C([O-])NCCCOC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832632442 604151395 /nfs/dbraw/zinc/15/13/95/604151395.db2.gz HITAITKAKWMDQW-UHFFFAOYSA-N -1 0 377.401 2.041 20 5 GEBDRM O=C([O-])NC1(CC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000832216383 604231471 /nfs/dbraw/zinc/23/14/71/604231471.db2.gz RDAQGBNMPDKNEA-UHFFFAOYSA-N -1 0 385.760 2.310 20 5 GEBDRM O=C([O-])N(CC1CC1)C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000831480757 604233567 /nfs/dbraw/zinc/23/35/67/604233567.db2.gz SJDSTEHMGSACME-UHFFFAOYSA-N -1 0 376.413 2.388 20 5 GEBDRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000824889944 604244101 /nfs/dbraw/zinc/24/41/01/604244101.db2.gz SHPDBZGWETYOLL-NXEZZACHSA-N -1 0 378.341 2.495 20 5 GEBDRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829056120 604276457 /nfs/dbraw/zinc/27/64/57/604276457.db2.gz RKNVPGHXSMDYQJ-JKSUJKDBSA-N -1 0 393.440 2.439 20 5 GEBDRM Cn1c(Sc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nnc1-c1cnccn1 ZINC000833040951 604280386 /nfs/dbraw/zinc/28/03/86/604280386.db2.gz MIHJYJVYJWTHGB-HYXAFXHYSA-N -1 0 384.377 2.429 20 5 GEBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000826627191 604429930 /nfs/dbraw/zinc/42/99/30/604429930.db2.gz HRZAIAZFQYQALB-UHFFFAOYSA-N -1 0 391.424 2.498 20 5 GEBDRM 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Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000740047151 602408429 /nfs/dbraw/zinc/40/84/29/602408429.db2.gz DMRKVKXKKUKOSK-UHFFFAOYSA-N -1 0 380.357 2.273 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739934464 602417017 /nfs/dbraw/zinc/41/70/17/602417017.db2.gz WAYLFKGPRSPJNJ-UHFFFAOYSA-N -1 0 380.401 2.135 20 5 GEBDRM O=C([O-])N1CCC(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000738714026 602434430 /nfs/dbraw/zinc/43/44/30/602434430.db2.gz VLHGEBUACPVJKY-UHFFFAOYSA-N -1 0 392.412 2.139 20 5 GEBDRM COc1ccc(S(=O)(=O)Oc2cccc(CNC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000739930952 602455083 /nfs/dbraw/zinc/45/50/83/602455083.db2.gz CNWAFVGHTQQGGZ-UHFFFAOYSA-N -1 0 382.350 2.139 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000739935130 602455160 /nfs/dbraw/zinc/45/51/60/602455160.db2.gz IYFWONJWWKBQAF-UHFFFAOYSA-N -1 0 382.350 2.139 20 5 GEBDRM CN(C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1)C(=O)[O-] 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Cc1nn(CN2CCC(N(CC3CC3)C(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12 ZINC000830870935 603495315 /nfs/dbraw/zinc/49/53/15/603495315.db2.gz OPPJBRUUTLNAPC-UHFFFAOYSA-N -1 0 388.428 2.460 20 5 GEBDRM O=C([O-])NC[C@@H]1CCC[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000832489733 603517617 /nfs/dbraw/zinc/51/76/17/603517617.db2.gz HVEASAUBJCKDER-BLLLJJGKSA-N -1 0 393.396 2.025 20 5 GEBDRM CCOC(=O)c1ccnc(N2CCC(CN(CC)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000827348929 603527213 /nfs/dbraw/zinc/52/72/13/603527213.db2.gz DPPPGAHHRWUNNL-UHFFFAOYSA-N -1 0 380.401 2.383 20 5 GEBDRM CCOc1ccc(NC(=O)CN2CCC[C@@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000827439984 603579357 /nfs/dbraw/zinc/57/93/57/603579357.db2.gz VMLUUAATYVYHNE-GFCCVEGCSA-N -1 0 380.401 2.006 20 5 GEBDRM O=C([O-])NCc1nc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000832739449 603615409 /nfs/dbraw/zinc/61/54/09/603615409.db2.gz VQPAPBUKVKZZQP-UHFFFAOYSA-N -1 0 378.322 2.317 20 5 GEBDRM CC[C@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000826613333 603628893 /nfs/dbraw/zinc/62/88/93/603628893.db2.gz HXZPQTZWRNDACB-INIZCTEOSA-N -1 0 393.444 2.031 20 5 GEBDRM C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CNC(=O)[O-] ZINC000825919704 603672108 /nfs/dbraw/zinc/67/21/08/603672108.db2.gz RKTAQTRWGXLQPK-MLGOLLRUSA-N -1 0 387.396 2.289 20 5 GEBDRM CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827781376 603701884 /nfs/dbraw/zinc/70/18/84/603701884.db2.gz HUHJEVUAJRFVKQ-CQSZACIVSA-N -1 0 379.416 2.365 20 5 GEBDRM COc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829382097 603702789 /nfs/dbraw/zinc/70/27/89/603702789.db2.gz WLQIJNQORBDXEE-CHWSQXEVSA-N -1 0 380.401 2.229 20 5 GEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826500259 607650432 /nfs/dbraw/zinc/65/04/32/607650432.db2.gz QIPLCNDRRHYVGJ-IJLUTSLNSA-N -1 0 392.441 2.022 20 5 GEBDRM C[C@H](OC(=O)C1(NC(=O)[O-])CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000825544188 603804875 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CCC(CC)(NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828849182 602208151 /nfs/dbraw/zinc/20/81/51/602208151.db2.gz PLVACCTZSCLVPG-UHFFFAOYSA-N -1 0 395.231 2.279 20 5 GEBDRM CC(C)CN(CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000826875645 602237398 /nfs/dbraw/zinc/23/73/98/602237398.db2.gz GLIROZNRLMRDTK-UHFFFAOYSA-N -1 0 399.469 2.316 20 5 GEBDRM O=C([O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2C1 ZINC000740527194 602247534 /nfs/dbraw/zinc/24/75/34/602247534.db2.gz RBGJLEWFXVDDIE-UHFFFAOYSA-N -1 0 383.407 2.345 20 5 GEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000739540514 602267438 /nfs/dbraw/zinc/26/74/38/602267438.db2.gz HMVJCOORGLDDHY-SMDDNHRTSA-N -1 0 385.442 2.357 20 5 GEBDRM Nc1c(C(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)cc(F)cc1[N+](=O)[O-] ZINC000740341191 602269693 /nfs/dbraw/zinc/26/96/93/602269693.db2.gz CDPFQWVMDCMODH-UHFFFAOYSA-N -1 0 381.345 2.061 20 5 GEBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1SC 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375.366 2.159 20 5 GEBDRM CCOc1cc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC ZINC000739496989 602598807 /nfs/dbraw/zinc/59/88/07/602598807.db2.gz OYTZKACPNZHECD-JTQLQIEISA-N -1 0 382.373 2.266 20 5 GEBDRM CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344107 602621536 /nfs/dbraw/zinc/62/15/36/602621536.db2.gz RNHQLEQUEOCTCR-CYBMUJFWSA-N -1 0 380.401 2.277 20 5 GEBDRM Cc1c(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740041722 602633418 /nfs/dbraw/zinc/63/34/18/602633418.db2.gz WBBRCMSARUEECD-LLVKDONJSA-N -1 0 380.357 2.321 20 5 GEBDRM CN(C[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-] ZINC000739637418 602704757 /nfs/dbraw/zinc/70/47/57/602704757.db2.gz OXEBZCOINWTBCO-CZUORRHYSA-N -1 0 376.413 2.022 20 5 GEBDRM O=Cc1ccc(OCC(=O)NCC2(NC(=O)[O-])CCCCCC2)c([N+](=O)[O-])c1 ZINC000740734382 602724227 /nfs/dbraw/zinc/72/42/27/602724227.db2.gz XDYBXAKLNDWUJJ-UHFFFAOYSA-N -1 0 393.396 2.263 20 5 GEBDRM O=C([O-])N1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000740527033 602742340 /nfs/dbraw/zinc/74/23/40/602742340.db2.gz NZIMZUBYJAZGCV-UHFFFAOYSA-N -1 0 391.405 2.425 20 5 GEBDRM CCOC(=O)c1cc(C(=O)OC[C@H]2CCCN(C(=O)[O-])C2)cc([N+](=O)[O-])c1 ZINC000739481619 602742995 /nfs/dbraw/zinc/74/29/95/602742995.db2.gz XHBYBCLKRMSGKM-NSHDSACASA-N -1 0 380.353 2.318 20 5 GEBDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000739017603 602756189 /nfs/dbraw/zinc/75/61/89/602756189.db2.gz XDQXTGASKBGNPI-GFCCVEGCSA-N -1 0 387.396 2.289 20 5 GEBDRM CN(C[C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739639121 602756794 /nfs/dbraw/zinc/75/67/94/602756794.db2.gz CYKLYFLKFHWWIK-CYBMUJFWSA-N -1 0 380.401 2.005 20 5 GEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1OC ZINC000739498381 602766062 /nfs/dbraw/zinc/76/60/62/602766062.db2.gz TVLLUMIVVMEGGH-ZYHUDNBSSA-N -1 0 381.385 2.168 20 5 GEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000740047111 602791280 /nfs/dbraw/zinc/79/12/80/602791280.db2.gz CUUYMRHUHASWTK-CMPLNLGQSA-N -1 0 380.357 2.368 20 5 GEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000740047113 602791507 /nfs/dbraw/zinc/79/15/07/602791507.db2.gz CUUYMRHUHASWTK-JQWIXIFHSA-N -1 0 380.357 2.368 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000740637624 602799471 /nfs/dbraw/zinc/79/94/71/602799471.db2.gz ZKCOASJIHKHCAD-UONOGXRCSA-N -1 0 387.396 2.337 20 5 GEBDRM CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825194411 607586913 /nfs/dbraw/zinc/58/69/13/607586913.db2.gz QOSQZWBTRIKMMX-MNOVXSKESA-N -1 0 380.430 2.022 20 5 GEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000740625388 602808628 /nfs/dbraw/zinc/80/86/28/602808628.db2.gz AVCCFQVCKKGNNN-WBMJQRKESA-N -1 0 387.396 2.337 20 5 GEBDRM COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000739850388 602811434 /nfs/dbraw/zinc/81/14/34/602811434.db2.gz KLZYOMOVCDHMQN-PWSUYJOCSA-N -1 0 381.385 2.263 20 5 GEBDRM Cc1ccc(NCCCNC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000740139678 602944611 /nfs/dbraw/zinc/94/46/11/602944611.db2.gz WHXDLZKOXGUNFE-ZIAGYGMSSA-N -1 0 393.444 2.393 20 5 GEBDRM CC(C)(C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)[O-])CC1 ZINC000738667237 603028638 /nfs/dbraw/zinc/02/86/38/603028638.db2.gz XAWGDHKTQSNYNZ-UHFFFAOYSA-N -1 0 385.804 2.366 20 5 GEBDRM O=C([O-])NC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000740610510 603046156 /nfs/dbraw/zinc/04/61/56/603046156.db2.gz GREMMIWJMBIPHF-GFCCVEGCSA-N -1 0 376.394 2.494 20 5 GEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC(NC(=O)[O-])CC2)cc1OC ZINC000739496910 603067964 /nfs/dbraw/zinc/06/79/64/603067964.db2.gz OLDGNIDPHYEDRI-UHFFFAOYSA-N -1 0 381.385 2.311 20 5 GEBDRM CC(C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824216196 607607920 /nfs/dbraw/zinc/60/79/20/607607920.db2.gz OVTLIQUYGUTWOH-RYUDHWBXSA-N -1 0 394.457 2.268 20 5 GEBDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740576244 603118248 /nfs/dbraw/zinc/11/82/48/603118248.db2.gz ARHNKXCYYFROAH-NEPJUHHUSA-N -1 0 376.325 2.124 20 5 GEBDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000740577754 603120604 /nfs/dbraw/zinc/12/06/04/603120604.db2.gz DPAGYYOXZDXXHC-MWLCHTKSSA-N -1 0 385.760 2.166 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000832513301 603139606 /nfs/dbraw/zinc/13/96/06/603139606.db2.gz IWFJFTSMUIMSTJ-ONGXEEELSA-N -1 0 391.833 2.353 20 5 GEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827593691 603140473 /nfs/dbraw/zinc/14/04/73/603140473.db2.gz DBXIRPOMIUPOQD-YHWZYXNKSA-N -1 0 383.426 2.109 20 5 GEBDRM Cc1cc(S(=O)(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000830132829 603141862 /nfs/dbraw/zinc/14/18/62/603141862.db2.gz LILYYOVENXFYSX-CQSZACIVSA-N -1 0 379.394 2.190 20 5 GEBDRM O=C([O-])N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000832140738 603143638 /nfs/dbraw/zinc/14/36/38/603143638.db2.gz NVILRVGREZBGTL-ZDUSSCGKSA-N -1 0 383.357 2.021 20 5 GEBDRM Cc1ccc(NCCCNC(=O)N2CCC[C@H](NC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000738288293 603153481 /nfs/dbraw/zinc/15/34/81/603153481.db2.gz WOFBMBOFYBNYJV-ZDUSSCGKSA-N -1 0 379.417 2.147 20 5 GEBDRM Cc1ccc(NCCCNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000740138946 603154405 /nfs/dbraw/zinc/15/44/05/603154405.db2.gz FRWGVGGPKBUFGQ-AWEZNQCLSA-N -1 0 393.444 2.394 20 5 GEBDRM CN(C[C@H]1CCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828235896 603204819 /nfs/dbraw/zinc/20/48/19/603204819.db2.gz LLFBDOAKBSHNFD-CYBMUJFWSA-N -1 0 387.396 2.138 20 5 GEBDRM O=C([O-])N1CC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)C1 ZINC000740490784 603220507 /nfs/dbraw/zinc/22/05/07/603220507.db2.gz VXJDNHRFOUXNJK-NSHDSACASA-N -1 0 375.303 2.486 20 5 GEBDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000739212201 603223955 /nfs/dbraw/zinc/22/39/55/603223955.db2.gz YIVJXCLGWCGYHE-YMTOWFKASA-N -1 0 376.369 2.309 20 5 GEBDRM O=C([O-])NCc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000740670905 603228577 /nfs/dbraw/zinc/22/85/77/603228577.db2.gz JWJIOJMBFBPWNQ-CQSZACIVSA-N -1 0 385.380 2.084 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000740634474 603315918 /nfs/dbraw/zinc/31/59/18/603315918.db2.gz QTOYSILHBCRKRI-WFASDCNBSA-N -1 0 389.368 2.159 20 5 GEBDRM Cc1nn(Cc2ccc(C(=O)O[C@H]3CCN(C(=O)[O-])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000740251419 603321670 /nfs/dbraw/zinc/32/16/70/603321670.db2.gz AKBXCBAXOMZMIP-HNNXBMFYSA-N -1 0 388.380 2.366 20 5 GEBDRM 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20 5 GEBDRM COc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1[N+](=O)[O-] ZINC000776444661 602316925 /nfs/dbraw/zinc/31/69/25/602316925.db2.gz DTNKYMMBLFBYIN-JTQLQIEISA-N -1 0 386.407 2.159 20 5 GEBDRM O=C([O-])c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000833319092 602372262 /nfs/dbraw/zinc/37/22/62/602372262.db2.gz FNEWYLPJJRZFNX-UHFFFAOYSA-N -1 0 389.343 2.181 20 5 GEBDRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000833319357 602395784 /nfs/dbraw/zinc/39/57/84/602395784.db2.gz SIUNUDJQIROJGA-LBPRGKRZSA-N -1 0 391.311 2.268 20 5 GEBDRM O=C([O-])N1CC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000740426386 602410978 /nfs/dbraw/zinc/41/09/78/602410978.db2.gz IVZGZHGDMDKSNI-CYBMUJFWSA-N -1 0 376.413 2.315 20 5 GEBDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738804808 602454954 /nfs/dbraw/zinc/45/49/54/602454954.db2.gz BZASCCRVYYZFNU-LBPRGKRZSA-N -1 0 375.385 2.193 20 5 GEBDRM O=C([O-])NC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000740613429 602485590 /nfs/dbraw/zinc/48/55/90/602485590.db2.gz RQQUTPULTQFSFL-GFCCVEGCSA-N -1 0 379.369 2.270 20 5 GEBDRM Cc1nn(CCC(=O)N[C@@]2(CNC(=O)[O-])CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000740250832 602510544 /nfs/dbraw/zinc/51/05/44/602510544.db2.gz AEERPNHSOZOMHI-PIGZYNQJSA-N -1 0 381.433 2.131 20 5 GEBDRM COc1ccc(CSCC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000738096362 602526197 /nfs/dbraw/zinc/52/61/97/602526197.db2.gz XBYOWGOOWLEYFU-UHFFFAOYSA-N -1 0 397.453 2.437 20 5 GEBDRM CN(C(=O)[O-])C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000737938868 602537920 /nfs/dbraw/zinc/53/79/20/602537920.db2.gz JBJCIVOCWJJBGR-UHFFFAOYSA-N -1 0 377.806 2.011 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000738202696 602538645 /nfs/dbraw/zinc/53/86/45/602538645.db2.gz VLVKNBLYBCJCLM-UHFFFAOYSA-N -1 0 391.833 2.320 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000740052265 602550312 /nfs/dbraw/zinc/55/03/12/602550312.db2.gz JBFYKPXOXQUNKR-SNVBAGLBSA-N -1 0 391.833 2.177 20 5 GEBDRM CCCN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000739350729 602551012 /nfs/dbraw/zinc/55/10/12/602551012.db2.gz NSSIMOQKWIVTCW-JTQLQIEISA-N -1 0 391.833 2.401 20 5 GEBDRM CCCN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000739352134 602551771 /nfs/dbraw/zinc/55/17/71/602551771.db2.gz UMHATZBTKRDTKU-LLVKDONJSA-N -1 0 391.833 2.401 20 5 GEBDRM O=C([O-])N1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000740380842 602556360 /nfs/dbraw/zinc/55/63/60/602556360.db2.gz COFQTAPDCAJDFI-LBPRGKRZSA-N -1 0 385.760 2.262 20 5 GEBDRM Cc1cc(C)cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1 ZINC000826265437 607573453 /nfs/dbraw/zinc/57/34/53/607573453.db2.gz ZAKUSMJNLPVZEE-UHFFFAOYSA-N -1 0 375.366 2.159 20 5 GEBDRM CC(C)C[C@@H](CNC(=O)[O-])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738811858 602567019 /nfs/dbraw/zinc/56/70/19/602567019.db2.gz OHXXEAXIBDTZSX-VIFPVBQESA-N -1 0 379.822 2.209 20 5 GEBDRM COc1ccccc1[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)NC(=O)[O-] ZINC000739961577 602568378 /nfs/dbraw/zinc/56/83/78/602568378.db2.gz HLKRAGIOCOKRTD-ZDUSSCGKSA-N -1 0 388.380 2.233 20 5 GEBDRM O=C([O-])NCc1cccc(OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000740675498 602696025 /nfs/dbraw/zinc/69/60/25/602696025.db2.gz CVUGUJBRWJNEJS-UHFFFAOYSA-N -1 0 383.320 2.162 20 5 GEBDRM Cc1c(C(=O)OC[C@H]2CCCN(C(=O)[O-])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000740042862 602747184 /nfs/dbraw/zinc/74/71/84/602747184.db2.gz AIXXZRNWPJCKQL-LBPRGKRZSA-N -1 0 389.368 2.031 20 5 GEBDRM CN(CC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000828091520 602789425 /nfs/dbraw/zinc/78/94/25/602789425.db2.gz ZXQOHLDVVCQRON-HUUCEWRRSA-N -1 0 390.440 2.412 20 5 GEBDRM CCOC(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000739479918 602797144 /nfs/dbraw/zinc/79/71/44/602797144.db2.gz LQWAOZUOIJWXSA-NHYWBVRUSA-N -1 0 393.396 2.328 20 5 GEBDRM C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCN1C(=O)[O-] ZINC000739164294 602941238 /nfs/dbraw/zinc/94/12/38/602941238.db2.gz JCZBWPUODFUOJJ-VIFPVBQESA-N -1 0 391.302 2.360 20 5 GEBDRM CCC1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000825194449 607598959 /nfs/dbraw/zinc/59/89/59/607598959.db2.gz QVMQYUCSLSQNHI-UHFFFAOYSA-N -1 0 394.457 2.270 20 5 GEBDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000740394354 602999840 /nfs/dbraw/zinc/99/98/40/602999840.db2.gz KUTUWKPBXNVCFG-PHTAMDTFSA-N -1 0 385.380 2.184 20 5 GEBDRM O=C([O-])NC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000740614681 603042737 /nfs/dbraw/zinc/04/27/37/603042737.db2.gz ZVYGEXFFQKKCAP-GFCCVEGCSA-N -1 0 376.394 2.494 20 5 GEBDRM CN(C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1)C(=O)[O-] ZINC000739658037 603043496 /nfs/dbraw/zinc/04/34/96/603043496.db2.gz VHSHGONSCSLQDW-VIFPVBQESA-N -1 0 386.202 2.429 20 5 GEBDRM O=C([O-])N1CC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000740430029 603046216 /nfs/dbraw/zinc/04/62/16/603046216.db2.gz RNHGLQVYMDUOKH-SECBINFHSA-N -1 0 386.202 2.477 20 5 GEBDRM O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)[nH]1 ZINC000740681427 603059585 /nfs/dbraw/zinc/05/95/85/603059585.db2.gz KKGNHLPBZXPGIF-UHFFFAOYSA-N -1 0 382.336 2.400 20 5 GEBDRM O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)[nH]1 ZINC000740681442 603059995 /nfs/dbraw/zinc/05/99/95/603059995.db2.gz KSQYSWGBXQXXGY-UHFFFAOYSA-N -1 0 388.365 2.461 20 5 GEBDRM Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCC[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000740299528 603101366 /nfs/dbraw/zinc/10/13/66/603101366.db2.gz KWRUOFKWHSIMFM-QWHCGFSZSA-N -1 0 387.396 2.408 20 5 GEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000832512548 603137743 /nfs/dbraw/zinc/13/77/43/603137743.db2.gz FQASMIIFRRJJQP-SKDRFNHKSA-N -1 0 391.833 2.353 20 5 GEBDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000740560603 603152941 /nfs/dbraw/zinc/15/29/41/603152941.db2.gz AARYBYAEOQPRTQ-ZIAGYGMSSA-N -1 0 376.413 2.070 20 5 GEBDRM COc1c(Br)c([N+](=O)[O-])c(NCCN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829072324 603186600 /nfs/dbraw/zinc/18/66/00/603186600.db2.gz OWUASSJXKCSAMI-UHFFFAOYSA-N -1 0 393.150 2.296 20 5 GEBDRM CCOC(=O)c1ccnc(NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1[N+](=O)[O-] ZINC000739478822 603198503 /nfs/dbraw/zinc/19/85/03/603198503.db2.gz NZQKJJOOXYNGDM-ONGXEEELSA-N -1 0 382.373 2.082 20 5 GEBDRM CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000738861665 603211780 /nfs/dbraw/zinc/21/17/80/603211780.db2.gz GVPFXQICVBRTTE-TZMCWYRMSA-N -1 0 393.396 2.094 20 5 GEBDRM O=C([O-])N[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000740691620 603229797 /nfs/dbraw/zinc/22/97/97/603229797.db2.gz NKNBRCUSFHYAIR-CJNGLKHVSA-N -1 0 385.380 2.012 20 5 GEBDRM CCOc1cc(C(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000739485661 603350814 /nfs/dbraw/zinc/35/08/14/603350814.db2.gz BRVKZPZSLSLHHQ-ZYHUDNBSSA-N -1 0 381.385 2.120 20 5 GEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738852043 603401823 /nfs/dbraw/zinc/40/18/23/603401823.db2.gz FIVSPFGBQPSSLK-INIZCTEOSA-N -1 0 379.413 2.491 20 5 GEBDRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000827871141 603518815 /nfs/dbraw/zinc/51/88/15/603518815.db2.gz LSQVTGHKEVRSTQ-SECBINFHSA-N -1 0 391.302 2.360 20 5 GEBDRM CCN(CC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827104848 603525635 /nfs/dbraw/zinc/52/56/35/603525635.db2.gz MMXBXLGMOBSQMO-UHFFFAOYSA-N -1 0 375.385 2.460 20 5 GEBDRM 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Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832920458 601399343 /nfs/dbraw/zinc/39/93/43/601399343.db2.gz AEGPWCYPQZBZTC-GFCCVEGCSA-N -1 0 394.405 2.406 20 5 GEBDRM O=C([O-])CNC(=O)c1ccc(N[C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000833252071 601445660 /nfs/dbraw/zinc/44/56/60/601445660.db2.gz KPEMINXWTHQCDU-CQSZACIVSA-N -1 0 379.413 2.152 20 5 GEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000828638279 601466224 /nfs/dbraw/zinc/46/62/24/601466224.db2.gz KWXOTFDNFFUDNL-MRXNPFEDSA-N -1 0 393.425 2.248 20 5 GEBDRM COc1ccc(S(=O)(=O)Oc2cc(N(C)C)ccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000832476221 601477955 /nfs/dbraw/zinc/47/79/55/601477955.db2.gz GYICAKIRHUDBSX-UHFFFAOYSA-N -1 0 396.377 2.135 20 5 GEBDRM C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828499914 601564394 /nfs/dbraw/zinc/56/43/94/601564394.db2.gz JSVZLDVGHUVRPF-CBAPKCEASA-N -1 0 382.316 2.045 20 5 GEBDRM 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C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000827609598 601850424 /nfs/dbraw/zinc/85/04/24/601850424.db2.gz QDHXXTYEMLYHJC-SECBINFHSA-N -1 0 375.312 2.248 20 5 GEBDRM C[C@@]1(C(=O)[O-])CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000262967005 601864289 /nfs/dbraw/zinc/86/42/89/601864289.db2.gz APUVSKGARYXIDL-QGZVFWFLSA-N -1 0 397.453 2.070 20 5 GEBDRM COc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000832378402 601864729 /nfs/dbraw/zinc/86/47/29/601864729.db2.gz MINCMDYWYJPWCM-UHFFFAOYSA-N -1 0 384.341 2.266 20 5 GEBDRM C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040439 601992101 /nfs/dbraw/zinc/99/21/01/601992101.db2.gz RBQARIFDRJKTFU-UWVGGRQHSA-N -1 0 391.833 2.305 20 5 GEBDRM COc1ccc(S(=O)(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000548265991 601993061 /nfs/dbraw/zinc/99/30/61/601993061.db2.gz PHKWXUWYGMQIHW-CHWSQXEVSA-N -1 0 386.426 2.305 20 5 GEBDRM 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Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)cc1[N+](=O)[O-] ZINC000809226118 653256724 /nfs/dbraw/zinc/25/67/24/653256724.db2.gz MXERWZHJSJCQLM-SSDOTTSWSA-N -1 0 386.760 2.191 20 5 GEBDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000835585552 653273527 /nfs/dbraw/zinc/27/35/27/653273527.db2.gz PIZOSRXKWPPVKB-UHFFFAOYSA-N -1 0 385.423 2.186 20 5 GEBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)c2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000835827423 653306274 /nfs/dbraw/zinc/30/62/74/653306274.db2.gz LWPMJJDAFIVSRI-UHFFFAOYSA-N -1 0 384.439 2.213 20 5 GEBDRM O=C(Cc1ccc(Cl)c(F)c1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000810581596 653346773 /nfs/dbraw/zinc/34/67/73/653346773.db2.gz SSDTXTCDXHNPQU-UHFFFAOYSA-N -1 0 378.790 2.496 20 5 GEBDRM CC(C)c1scnc1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000810630901 653349950 /nfs/dbraw/zinc/34/99/50/653349950.db2.gz NEKLRAQGDFTGBI-UHFFFAOYSA-N -1 0 383.451 2.477 20 5 GEBDRM CCCSC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)[O-] 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O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000133697549 643897497 /nfs/dbraw/zinc/89/74/97/643897497.db2.gz KGGUMVCITAWTQF-UHFFFAOYSA-N -1 0 376.381 2.409 20 5 GEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)c(Cl)c1 ZINC000154516344 644048079 /nfs/dbraw/zinc/04/80/79/644048079.db2.gz HMHWYAQJBMVVMN-UHFFFAOYSA-N -1 0 380.773 2.025 20 5 GEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000156601518 644106228 /nfs/dbraw/zinc/10/62/28/644106228.db2.gz XJCYRTALWNGSMA-UHFFFAOYSA-N -1 0 385.195 2.476 20 5 GEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000158638662 644153022 /nfs/dbraw/zinc/15/30/22/644153022.db2.gz ZYDFSHPICNTZST-GFCCVEGCSA-N -1 0 386.817 2.425 20 5 GEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)c(Cl)c1 ZINC000158725338 644156837 /nfs/dbraw/zinc/15/68/37/644156837.db2.gz IBWMGXDPIBYGTI-UHFFFAOYSA-N -1 0 380.773 2.025 20 5 GEBDRM CCc1ncsc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000160610039 644203243 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Nc1c(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc(F)cc1[N+](=O)[O-] ZINC000831259822 603467727 /nfs/dbraw/zinc/46/77/27/603467727.db2.gz IBCRWEBZCSGPMW-UHFFFAOYSA-N -1 0 380.376 2.311 20 5 GEBDRM NC(=O)c1ccc(SCC(=O)Oc2cccc(NC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000831233336 603482985 /nfs/dbraw/zinc/48/29/85/603482985.db2.gz CLXOAWDNMVCGAJ-UHFFFAOYSA-N -1 0 391.361 2.481 20 5 GEBDRM O=C([O-])N(CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C[C@@H]1CCCO1 ZINC000831475285 603536270 /nfs/dbraw/zinc/53/62/70/603536270.db2.gz YPTIYLCDHWRTIR-ZDUSSCGKSA-N -1 0 389.368 2.082 20 5 GEBDRM O=C([O-])NCCCOC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000832633100 603573070 /nfs/dbraw/zinc/57/30/70/603573070.db2.gz OQNZJAOROITAKS-UHFFFAOYSA-N -1 0 378.385 2.375 20 5 GEBDRM CCOC(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827338906 603665957 /nfs/dbraw/zinc/66/59/57/603665957.db2.gz OVKWSWUFNIRGEE-IAQYHMDHSA-N -1 0 393.396 2.280 20 5 GEBDRM 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O=C([O-])NCCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000740652995 602374597 /nfs/dbraw/zinc/37/45/97/602374597.db2.gz QQWWQQJHEBJOIF-UHFFFAOYSA-N -1 0 394.409 2.465 20 5 GEBDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000739013986 602405343 /nfs/dbraw/zinc/40/53/43/602405343.db2.gz CIUIQPFUDKHGKD-GFCCVEGCSA-N -1 0 387.396 2.289 20 5 GEBDRM CCC(CC)(CNC(=O)[O-])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000739254145 602445205 /nfs/dbraw/zinc/44/52/05/602445205.db2.gz IFHOENRIDNOWLY-UHFFFAOYSA-N -1 0 375.385 2.337 20 5 GEBDRM COc1ccc(CC(=O)N[C@]2(CNC(=O)[O-])CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000739895322 602510475 /nfs/dbraw/zinc/51/04/75/602510475.db2.gz OBRFLVGSQQMABF-XIKOKIGWSA-N -1 0 379.413 2.479 20 5 GEBDRM COc1ccc(CC(=O)N[C@@]2(CNC(=O)[O-])CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000739895319 602510549 /nfs/dbraw/zinc/51/05/49/602510549.db2.gz OBRFLVGSQQMABF-KPZWWZAWSA-N -1 0 379.413 2.479 20 5 GEBDRM Cc1nn(CCC(=O)N[C@@]2(CNC(=O)[O-])CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000740250829 602510560 /nfs/dbraw/zinc/51/05/60/602510560.db2.gz AEERPNHSOZOMHI-APPDUMDISA-N -1 0 381.433 2.131 20 5 GEBDRM CCCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739343451 602512664 /nfs/dbraw/zinc/51/26/64/602512664.db2.gz NSELKCUCNQLMDU-CQSZACIVSA-N -1 0 393.396 2.376 20 5 GEBDRM CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344820 602518016 /nfs/dbraw/zinc/51/80/16/602518016.db2.gz KITQBEQVUMFWHT-HNNXBMFYSA-N -1 0 387.396 2.385 20 5 GEBDRM CCC(CC)(CNC(=O)[O-])NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000739254221 602521898 /nfs/dbraw/zinc/52/18/98/602521898.db2.gz JMDWQDZWGKDYRE-UHFFFAOYSA-N -1 0 390.400 2.040 20 5 GEBDRM O=C([O-])N1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000740380508 602555377 /nfs/dbraw/zinc/55/53/77/602555377.db2.gz AGQOPHSLOSSPEN-NSHDSACASA-N -1 0 385.760 2.262 20 5 GEBDRM O=C([O-])N1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000740383219 602557757 /nfs/dbraw/zinc/55/77/57/602557757.db2.gz WTGNLMPWAGXBRW-LBPRGKRZSA-N -1 0 385.760 2.262 20 5 GEBDRM COc1cc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000739851310 602577129 /nfs/dbraw/zinc/57/71/29/602577129.db2.gz HCBOUUNJYNCDHM-QMMMGPOBSA-N -1 0 389.311 2.077 20 5 GEBDRM O=C([O-])N1CCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000740386360 602586315 /nfs/dbraw/zinc/58/63/15/602586315.db2.gz AUUTXAMSGWLNAD-CQSZACIVSA-N -1 0 379.416 2.413 20 5 GEBDRM C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739024750 602590010 /nfs/dbraw/zinc/59/00/10/602590010.db2.gz JZPVKKFKDMXOAM-MNOVXSKESA-N -1 0 388.380 2.357 20 5 GEBDRM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000739994918 602644785 /nfs/dbraw/zinc/64/47/85/602644785.db2.gz RTMAIMFRWXZGSM-UHFFFAOYSA-N -1 0 379.350 2.341 20 5 GEBDRM 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/nfs/dbraw/zinc/28/97/63/602289763.db2.gz QIEUQBFXSHKZGT-LLVKDONJSA-N -1 0 376.369 2.493 20 5 GEBDRM Cc1nn(Cc2ccc(C(=O)NC(C)(C)CNC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000740251405 602309987 /nfs/dbraw/zinc/30/99/87/602309987.db2.gz GUJMPHPOKFNAAP-UHFFFAOYSA-N -1 0 389.412 2.232 20 5 GEBDRM CC(C)CO[C@H]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826900409 602315097 /nfs/dbraw/zinc/31/50/97/602315097.db2.gz FTYYBZDAEBSJHA-JSGCOSHPSA-N -1 0 379.413 2.049 20 5 GEBDRM CC(C)c1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)NC(=O)[O-])cc1 ZINC000738879180 602359715 /nfs/dbraw/zinc/35/97/15/602359715.db2.gz UMXOURXIUJJDAT-CQSZACIVSA-N -1 0 375.385 2.040 20 5 GEBDRM Cc1c(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740033845 602404130 /nfs/dbraw/zinc/40/41/30/602404130.db2.gz YHSUTYPQQFQCGY-JTQLQIEISA-N -1 0 380.357 2.320 20 5 GEBDRM CCOC(=O)c1cc(C(=O)NC2(CNC(=O)[O-])CCCC2)cc([N+](=O)[O-])c1 ZINC000739481727 602443398 /nfs/dbraw/zinc/44/33/98/602443398.db2.gz XPVKLGJMTTVRNB-UHFFFAOYSA-N -1 0 379.369 2.082 20 5 GEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000740048455 602460785 /nfs/dbraw/zinc/46/07/85/602460785.db2.gz HZPZBWDITHCJHZ-JTQLQIEISA-N -1 0 380.357 2.320 20 5 GEBDRM CCCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739343450 602512655 /nfs/dbraw/zinc/51/26/55/602512655.db2.gz NSELKCUCNQLMDU-AWEZNQCLSA-N -1 0 393.396 2.376 20 5 GEBDRM CN(C(=O)[O-])C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000737938897 602538074 /nfs/dbraw/zinc/53/80/74/602538074.db2.gz KKMKBAKOTUNBKJ-UHFFFAOYSA-N -1 0 377.806 2.011 20 5 GEBDRM CCN(C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825395821 607573476 /nfs/dbraw/zinc/57/34/76/607573476.db2.gz WOWVOSYKXXTJBZ-UHFFFAOYSA-N -1 0 380.430 2.118 20 5 GEBDRM O=C([O-])NC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000740610779 602569897 /nfs/dbraw/zinc/56/98/97/602569897.db2.gz BRPZFOBGXUJMMB-OAHLLOKOSA-N -1 0 385.442 2.231 20 5 GEBDRM Cc1cc(C(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c(N)c([N+](=O)[O-])c1 ZINC000740054658 602570840 /nfs/dbraw/zinc/57/08/40/602570840.db2.gz UOBAFMJGDDJDHD-AWEZNQCLSA-N -1 0 376.413 2.480 20 5 GEBDRM Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC000740056280 602571292 /nfs/dbraw/zinc/57/12/92/602571292.db2.gz VRUJHEMTKVISQM-TZMCWYRMSA-N -1 0 376.413 2.480 20 5 GEBDRM O=C([O-])N1CCC[C@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000740518896 602591443 /nfs/dbraw/zinc/59/14/43/602591443.db2.gz GDHSAKFEYJFQAI-LBPRGKRZSA-N -1 0 393.787 2.348 20 5 GEBDRM O=C([O-])N1CCC[C@@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000740518894 602591535 /nfs/dbraw/zinc/59/15/35/602591535.db2.gz GDHSAKFEYJFQAI-GFCCVEGCSA-N -1 0 393.787 2.348 20 5 GEBDRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000738630580 602644165 /nfs/dbraw/zinc/64/41/65/602644165.db2.gz KVMDWTJQMNPBTA-VIFPVBQESA-N -1 0 398.331 2.308 20 5 GEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344268 602645060 /nfs/dbraw/zinc/64/50/60/602645060.db2.gz IUGDIPLKQLLBLV-NSHDSACASA-N -1 0 380.357 2.416 20 5 GEBDRM O=C([O-])NC1(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000740546092 602653756 /nfs/dbraw/zinc/65/37/56/602653756.db2.gz VVPNRBKNTAMBDG-UHFFFAOYSA-N -1 0 376.325 2.268 20 5 GEBDRM Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](CN(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740053513 602670336 /nfs/dbraw/zinc/67/03/36/602670336.db2.gz RYDHENYZMRDLSE-NSHDSACASA-N -1 0 382.373 2.130 20 5 GEBDRM CN(C[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739643997 602670453 /nfs/dbraw/zinc/67/04/53/602670453.db2.gz ITAWLBQVEMETAN-LBPRGKRZSA-N -1 0 376.413 2.313 20 5 GEBDRM CCC[C@](C)(NC(=O)[O-])C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000739300656 602710632 /nfs/dbraw/zinc/71/06/32/602710632.db2.gz YMUZARVZHZHJAX-GUYCJALGSA-N -1 0 379.369 2.070 20 5 GEBDRM CCCC[C@@H](CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825259617 607583193 /nfs/dbraw/zinc/58/31/93/607583193.db2.gz JWCSNNIOFNLSHU-LLVKDONJSA-N -1 0 382.446 2.270 20 5 GEBDRM Cc1c(C(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000740033843 602758077 /nfs/dbraw/zinc/75/80/77/602758077.db2.gz YHRQMNORPLJZQR-IUCAKERBSA-N -1 0 380.357 2.333 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740633304 602799893 /nfs/dbraw/zinc/79/98/93/602799893.db2.gz NYSNCMZVKVXRBX-WFASDCNBSA-N -1 0 387.396 2.337 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000740625240 602805828 /nfs/dbraw/zinc/80/58/28/602805828.db2.gz ACNMJFXESSBIKB-SWLSCSKDSA-N -1 0 387.396 2.337 20 5 GEBDRM Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740035018 602813615 /nfs/dbraw/zinc/81/36/15/602813615.db2.gz DRMJEKIEZRJCMD-ZWNOBZJWSA-N -1 0 380.357 2.462 20 5 GEBDRM C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739186364 602870478 /nfs/dbraw/zinc/87/04/78/602870478.db2.gz BIWSYYKZMJTJSL-RKDXNWHRSA-N -1 0 377.806 2.010 20 5 GEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739193884 602872635 /nfs/dbraw/zinc/87/26/35/602872635.db2.gz PCMJXBJSPATNNR-RKDXNWHRSA-N -1 0 377.806 2.010 20 5 GEBDRM C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000739041616 602894986 /nfs/dbraw/zinc/89/49/86/602894986.db2.gz GXNWIXULLVVYRC-IUCAKERBSA-N -1 0 385.760 2.118 20 5 GEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C(=O)[O-] ZINC000739169171 602922480 /nfs/dbraw/zinc/92/24/80/602922480.db2.gz UQYHWFBDGPNYRP-ZDUSSCGKSA-N -1 0 376.413 2.409 20 5 GEBDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)s1 ZINC000826283232 607596470 /nfs/dbraw/zinc/59/64/70/607596470.db2.gz NBBLENFOVUOBOW-SECBINFHSA-N -1 0 394.438 2.184 20 5 GEBDRM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000740241402 602994911 /nfs/dbraw/zinc/99/49/11/602994911.db2.gz ZSHJPZHWZLBKQB-UHFFFAOYSA-N -1 0 391.384 2.073 20 5 GEBDRM O=C([O-])N1CC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000740430033 603046626 /nfs/dbraw/zinc/04/66/26/603046626.db2.gz RNHGLQVYMDUOKH-VIFPVBQESA-N -1 0 386.202 2.477 20 5 GEBDRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738765381 603051320 /nfs/dbraw/zinc/05/13/20/603051320.db2.gz KEBLHMDKZKQGPD-KRWDZBQOSA-N -1 0 375.385 2.193 20 5 GEBDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000739201838 603053601 /nfs/dbraw/zinc/05/36/01/603053601.db2.gz MRUYSNYFDSNLKL-RISCZKNCSA-N -1 0 379.413 2.492 20 5 GEBDRM O=C([O-])NC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000740610089 603061843 /nfs/dbraw/zinc/06/18/43/603061843.db2.gz BYVHWRNLJFRLDE-HNNXBMFYSA-N -1 0 376.413 2.361 20 5 GEBDRM Cc1ccc(NCCCNC(=O)NC2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000738287398 603094179 /nfs/dbraw/zinc/09/41/79/603094179.db2.gz OZRCQVIOEGXUCE-UHFFFAOYSA-N -1 0 379.417 2.147 20 5 GEBDRM CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824216194 607607713 /nfs/dbraw/zinc/60/77/13/607607713.db2.gz OVTLIQUYGUTWOH-NWDGAFQWSA-N -1 0 394.457 2.268 20 5 GEBDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000740579127 603123853 /nfs/dbraw/zinc/12/38/53/603123853.db2.gz IXWQBIVNDMUHNF-ONGXEEELSA-N -1 0 385.760 2.166 20 5 GEBDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000832339002 603137137 /nfs/dbraw/zinc/13/71/37/603137137.db2.gz LPGWBEKMVOYEHJ-HOTGVXAUSA-N -1 0 377.397 2.401 20 5 GEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000830138145 603143084 /nfs/dbraw/zinc/14/30/84/603143084.db2.gz LUPIQQGLGYMKKM-CQSZACIVSA-N -1 0 393.421 2.499 20 5 GEBDRM COc1ccc(S(=O)(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000829511171 603145750 /nfs/dbraw/zinc/14/57/50/603145750.db2.gz VAEWGCOCPXTNCO-UHFFFAOYSA-N -1 0 382.350 2.485 20 5 GEBDRM Cc1ccc(NCCCNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000740139593 603146571 /nfs/dbraw/zinc/14/65/71/603146571.db2.gz SWRKVDNSMLRSHK-AWEZNQCLSA-N -1 0 393.444 2.394 20 5 GEBDRM CN(C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828218542 603149130 /nfs/dbraw/zinc/14/91/30/603149130.db2.gz OMXAYDNHGBJICS-AWEZNQCLSA-N -1 0 376.413 2.409 20 5 GEBDRM CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000828231172 603153830 /nfs/dbraw/zinc/15/38/30/603153830.db2.gz ZHXVKPJQRLARKK-JTQLQIEISA-N -1 0 377.806 2.011 20 5 GEBDRM CN(C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000828185980 603165593 /nfs/dbraw/zinc/16/55/93/603165593.db2.gz ICSSZRGQTYJYGN-OAHLLOKOSA-N -1 0 390.440 2.412 20 5 GEBDRM 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CCN(CC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000827104852 603480719 /nfs/dbraw/zinc/48/07/19/603480719.db2.gz MPZVEBUACKQEFG-UHFFFAOYSA-N -1 0 385.442 2.304 20 5 GEBDRM COc1cc(CN(C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000829115657 603499741 /nfs/dbraw/zinc/49/97/41/603499741.db2.gz OYQCWYQRTJCNCT-JTQLQIEISA-N -1 0 375.328 2.389 20 5 GEBDRM CC[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825192822 607642170 /nfs/dbraw/zinc/64/21/70/607642170.db2.gz JDIQZAQFMWPYLA-WDEREUQCSA-N -1 0 380.430 2.022 20 5 GEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829889372 603670827 /nfs/dbraw/zinc/67/08/27/603670827.db2.gz QTPHQAPKWTUAMM-OTYXRUKQSA-N -1 0 380.357 2.320 20 5 GEBDRM C[C@H](NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000825067270 603699816 /nfs/dbraw/zinc/69/98/16/603699816.db2.gz SLZGLABTPQTNTO-NSHDSACASA-N -1 0 386.364 2.178 20 5 GEBDRM 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Cc1cc(N2CCN(CC(=O)Nc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891090 602313117 /nfs/dbraw/zinc/31/31/17/602313117.db2.gz KJXHNQRJNLZISN-UHFFFAOYSA-N -1 0 398.419 2.362 20 5 GEBDRM C[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000828295456 602316024 /nfs/dbraw/zinc/31/60/24/602316024.db2.gz HSOWYWXYEIJFAS-IINYFYTJSA-N -1 0 375.341 2.485 20 5 GEBDRM CC(C)c1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)NC(=O)[O-])cc1 ZINC000738879179 602359826 /nfs/dbraw/zinc/35/98/26/602359826.db2.gz UMXOURXIUJJDAT-AWEZNQCLSA-N -1 0 375.385 2.040 20 5 GEBDRM CN(CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)C(=O)[O-] ZINC000739667004 602382645 /nfs/dbraw/zinc/38/26/45/602382645.db2.gz UPSLTZYVCPNLHW-UHFFFAOYSA-N -1 0 375.385 2.467 20 5 GEBDRM C[C@@](CNC(=O)[O-])(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000738925673 602428263 /nfs/dbraw/zinc/42/82/63/602428263.db2.gz PUWLLYKVGXEZSC-SFHVURJKSA-N -1 0 376.413 2.361 20 5 GEBDRM 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CN(C(=O)[O-])C1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000737939321 602529357 /nfs/dbraw/zinc/52/93/57/602529357.db2.gz PZKMGXGABNUHRH-UHFFFAOYSA-N -1 0 387.396 2.138 20 5 GEBDRM O=C([O-])N1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740726724 602552364 /nfs/dbraw/zinc/55/23/64/602552364.db2.gz RQKXIRUKDCPYIJ-GFCCVEGCSA-N -1 0 376.325 2.221 20 5 GEBDRM O=C([O-])N1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000740381973 602556296 /nfs/dbraw/zinc/55/62/96/602556296.db2.gz KOPGBVGYMOHFJV-LBPRGKRZSA-N -1 0 385.760 2.262 20 5 GEBDRM CC(C)(NC(=O)[O-])c1noc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000738754970 602557190 /nfs/dbraw/zinc/55/71/90/602557190.db2.gz LNZXDCYJAKTSHD-UHFFFAOYSA-N -1 0 384.732 2.491 20 5 GEBDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740691260 602563297 /nfs/dbraw/zinc/56/32/97/602563297.db2.gz JQDPBCBGOWVXHL-GOSISDBHSA-N -1 0 398.419 2.122 20 5 GEBDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000740692110 602563679 /nfs/dbraw/zinc/56/36/79/602563679.db2.gz UBBKKCHALKOUOB-MRXNPFEDSA-N -1 0 398.419 2.122 20 5 GEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000736380311 602566007 /nfs/dbraw/zinc/56/60/07/602566007.db2.gz QQDDBBQKFFOMAB-IUODEOHRSA-N -1 0 393.396 2.035 20 5 GEBDRM O=C([O-])N1CCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000740420347 602585725 /nfs/dbraw/zinc/58/57/25/602585725.db2.gz ZEQXEGDLCRELBR-SECBINFHSA-N -1 0 391.302 2.408 20 5 GEBDRM CCCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000739341019 602644177 /nfs/dbraw/zinc/64/41/77/602644177.db2.gz ATBWYWZUXNDCLA-NSHDSACASA-N -1 0 381.385 2.217 20 5 GEBDRM O=C([O-])NC1(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000740546364 602653771 /nfs/dbraw/zinc/65/37/71/602653771.db2.gz ZAWHHGLTQOLVBC-UHFFFAOYSA-N -1 0 385.760 2.310 20 5 GEBDRM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739779005 602687450 /nfs/dbraw/zinc/68/74/50/602687450.db2.gz GXOGVSDCKJNPNJ-SECBINFHSA-N -1 0 382.329 2.092 20 5 GEBDRM CN(C[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-] ZINC000739637416 602704852 /nfs/dbraw/zinc/70/48/52/602704852.db2.gz OXEBZCOINWTBCO-BBRMVZONSA-N -1 0 376.413 2.022 20 5 GEBDRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000739152122 602716517 /nfs/dbraw/zinc/71/65/17/602716517.db2.gz ZYMCFAJIMBWZJB-ZDUSSCGKSA-N -1 0 376.413 2.022 20 5 GEBDRM CCOC(=O)c1cc(C(=O)OC[C@@H]2CCCN(C(=O)[O-])C2)cc([N+](=O)[O-])c1 ZINC000739481618 602743109 /nfs/dbraw/zinc/74/31/09/602743109.db2.gz XHBYBCLKRMSGKM-LLVKDONJSA-N -1 0 380.353 2.318 20 5 GEBDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000739016156 602755330 /nfs/dbraw/zinc/75/53/30/602755330.db2.gz OATWXCJFURVMNR-LBPRGKRZSA-N -1 0 387.396 2.289 20 5 GEBDRM Cc1c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000740037114 602764738 /nfs/dbraw/zinc/76/47/38/602764738.db2.gz MIZPKKZJJFCILX-PWSUYJOCSA-N -1 0 380.357 2.286 20 5 GEBDRM C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739173551 602773310 /nfs/dbraw/zinc/77/33/10/602773310.db2.gz YYCZJXMPBLWYBU-STQMWFEESA-N -1 0 376.413 2.408 20 5 GEBDRM C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H](C)N1C(=O)[O-] ZINC000739173547 602773343 /nfs/dbraw/zinc/77/33/43/602773343.db2.gz YYCZJXMPBLWYBU-CHWSQXEVSA-N -1 0 376.413 2.408 20 5 GEBDRM CCOC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000739479920 602797046 /nfs/dbraw/zinc/79/70/46/602797046.db2.gz LQWAOZUOIJWXSA-XHDPSFHLSA-N -1 0 393.396 2.328 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000740625385 602808790 /nfs/dbraw/zinc/80/87/90/602808790.db2.gz AVCCFQVCKKGNNN-BLLLJJGKSA-N -1 0 387.396 2.337 20 5 GEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000739011510 602811570 /nfs/dbraw/zinc/81/15/70/602811570.db2.gz ZOEIWBDGAHHYEI-GXFFZTMASA-N -1 0 379.369 2.017 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739933209 602841416 /nfs/dbraw/zinc/84/14/16/602841416.db2.gz NDXNKMCZVUTBNU-SRVKXCTJSA-N -1 0 380.401 2.003 20 5 GEBDRM O=C([O-])N1CCCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740520805 602866892 /nfs/dbraw/zinc/86/68/92/602866892.db2.gz USDPBBVFSRQHQM-VIFPVBQESA-N -1 0 377.806 2.059 20 5 GEBDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000739965473 602895240 /nfs/dbraw/zinc/89/52/40/602895240.db2.gz GTGLALWKSJFFBL-INIZCTEOSA-N -1 0 389.364 2.237 20 5 GEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C(=O)[O-] ZINC000739169170 602922567 /nfs/dbraw/zinc/92/25/67/602922567.db2.gz UQYHWFBDGPNYRP-CYBMUJFWSA-N -1 0 376.413 2.409 20 5 GEBDRM O=C([O-])N[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000740539340 603031241 /nfs/dbraw/zinc/03/12/41/603031241.db2.gz TXDAOVHTSHPXPS-CQSZACIVSA-N -1 0 377.328 2.238 20 5 GEBDRM O=C([O-])NC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000740606443 603041804 /nfs/dbraw/zinc/04/18/04/603041804.db2.gz UYLBDWQUJOXHAH-MRXNPFEDSA-N -1 0 379.416 2.317 20 5 GEBDRM O=C([O-])NC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000740610512 603046212 /nfs/dbraw/zinc/04/62/12/603046212.db2.gz GREMMIWJMBIPHF-LBPRGKRZSA-N -1 0 376.394 2.494 20 5 GEBDRM CN(CCCNC(=O)[O-])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000828303212 603120607 /nfs/dbraw/zinc/12/06/07/603120607.db2.gz ZUQFXSMVAYBLMR-UHFFFAOYSA-N -1 0 386.213 2.180 20 5 GEBDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740582403 603121038 /nfs/dbraw/zinc/12/10/38/603121038.db2.gz REQORAJTSNOFJS-VHSXEESVSA-N -1 0 385.760 2.166 20 5 GEBDRM COc1ccc(S(=O)(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000829510100 603146764 /nfs/dbraw/zinc/14/67/64/603146764.db2.gz BILAHZLJHOXCFW-UHFFFAOYSA-N -1 0 382.350 2.485 20 5 GEBDRM Cc1ccc(NCCCNC(=O)N2CCC[C@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000740138947 603154106 /nfs/dbraw/zinc/15/41/06/603154106.db2.gz FRWGVGGPKBUFGQ-CQSZACIVSA-N -1 0 393.444 2.394 20 5 GEBDRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000739104006 603182759 /nfs/dbraw/zinc/18/27/59/603182759.db2.gz VXCMDFGELQNNPO-ZMZPIMSZSA-N -1 0 393.396 2.312 20 5 GEBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000832489411 603197266 /nfs/dbraw/zinc/19/72/66/603197266.db2.gz DICPLXDIIZIWGV-WPRPVWTQSA-N -1 0 393.368 2.439 20 5 GEBDRM C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739173198 603362387 /nfs/dbraw/zinc/36/23/87/603362387.db2.gz ZIYQXOOTSPTZRI-XHDPSFHLSA-N -1 0 387.396 2.114 20 5 GEBDRM O=C([O-])N(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCO1 ZINC000740369353 603395295 /nfs/dbraw/zinc/39/52/95/603395295.db2.gz YUJFSXFTKOTFPH-JTQLQIEISA-N -1 0 389.311 2.294 20 5 GEBDRM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000740703115 603403355 /nfs/dbraw/zinc/40/33/55/603403355.db2.gz AMORAWYDIOBAHI-UHFFFAOYSA-N -1 0 376.300 2.079 20 5 GEBDRM CN(CC(C)(C)CNC(=O)[O-])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000828153757 603451945 /nfs/dbraw/zinc/45/19/45/603451945.db2.gz AGFMLOKDJHDQKS-UHFFFAOYSA-N -1 0 379.822 2.163 20 5 GEBDRM O=C([O-])NCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000832588517 603455634 /nfs/dbraw/zinc/45/56/34/603455634.db2.gz CPJPFFVMWUXYEA-UHFFFAOYSA-N -1 0 386.202 2.477 20 5 GEBDRM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000826035352 603462275 /nfs/dbraw/zinc/46/22/75/603462275.db2.gz UUHDIJRBPRZDIY-LDYMZIIASA-N -1 0 386.202 2.476 20 5 GEBDRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000828150057 603468439 /nfs/dbraw/zinc/46/84/39/603468439.db2.gz CDAOSFYZVNCIGZ-UHFFFAOYSA-N 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C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H]1CNC(=O)[O-] ZINC000825919240 603656355 /nfs/dbraw/zinc/65/63/55/603656355.db2.gz KMGIJHMUOQQXAS-MLGOLLRUSA-N -1 0 387.396 2.289 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000829510780 603703164 /nfs/dbraw/zinc/70/31/64/603703164.db2.gz NNXFJJJTNKOWQO-SMDDNHRTSA-N -1 0 380.401 2.229 20 5 GEBDRM Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830043905 603731145 /nfs/dbraw/zinc/73/11/45/603731145.db2.gz ASQBVQLZRCUJBG-JTQLQIEISA-N -1 0 391.833 2.367 20 5 GEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000830138231 603758486 /nfs/dbraw/zinc/75/84/86/603758486.db2.gz OOKANIRECZGQJK-UHFFFAOYSA-N -1 0 379.369 2.213 20 5 GEBDRM C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1CNC(=O)[O-] ZINC000825932754 603761867 /nfs/dbraw/zinc/76/18/67/603761867.db2.gz XCUSNCJVPGWCIZ-CABZTGNLSA-N -1 0 391.833 2.305 20 5 GEBDRM 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C[C@H](NC(=O)[O-])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000739001413 602266992 /nfs/dbraw/zinc/26/69/92/602266992.db2.gz NJDRLGANGXIBBE-ONGXEEELSA-N -1 0 391.833 2.448 20 5 GEBDRM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740374330 602272311 /nfs/dbraw/zinc/27/23/11/602272311.db2.gz NBECGVFNZWVEBR-UHFFFAOYSA-N -1 0 384.348 2.004 20 5 GEBDRM O=C([O-])c1ccncc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000833111984 602287849 /nfs/dbraw/zinc/28/78/49/602287849.db2.gz JXMSOKUTFAJPLB-UHFFFAOYSA-N -1 0 379.712 2.137 20 5 GEBDRM Cc1[nH]c(C(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(C)c1C(=O)[O-] ZINC000832843215 602309720 /nfs/dbraw/zinc/30/97/20/602309720.db2.gz KHCZUVCXLSPCFD-UHFFFAOYSA-N -1 0 398.169 2.045 20 5 GEBDRM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000833122605 602313671 /nfs/dbraw/zinc/31/36/71/602313671.db2.gz HJSAHNBYHRZOJY-UHFFFAOYSA-N -1 0 386.147 2.400 20 5 GEBDRM CNS(=O)(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1 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DYDOSLKWDJMZAT-GFCCVEGCSA-N -1 0 375.385 2.193 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738106736 602535369 /nfs/dbraw/zinc/53/53/69/602535369.db2.gz WXLGLUHTTHXGMI-NSHDSACASA-N -1 0 380.401 2.005 20 5 GEBDRM CN(C(=O)[O-])C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000737938344 602537944 /nfs/dbraw/zinc/53/79/44/602537944.db2.gz ATPVWYJDVJWRRU-UHFFFAOYSA-N -1 0 377.806 2.011 20 5 GEBDRM O=C([O-])NC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000740610778 602570126 /nfs/dbraw/zinc/57/01/26/602570126.db2.gz BRPZFOBGXUJMMB-HNNXBMFYSA-N -1 0 385.442 2.231 20 5 GEBDRM COc1cc(C(=O)NC[C@H]2CCCN2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000739851309 602577142 /nfs/dbraw/zinc/57/71/42/602577142.db2.gz HCBOUUNJYNCDHM-MRVPVSSYSA-N -1 0 389.311 2.077 20 5 GEBDRM O=C([O-])N1CCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000740410759 602590907 /nfs/dbraw/zinc/59/09/07/602590907.db2.gz FXKUXPWPRQSJLU-AWEZNQCLSA-N -1 0 376.413 2.070 20 5 GEBDRM CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1[N+](=O)[O-] ZINC000739993306 602625728 /nfs/dbraw/zinc/62/57/28/602625728.db2.gz FVLTVPLNBVIZTJ-UHFFFAOYSA-N -1 0 379.350 2.341 20 5 GEBDRM O=C([O-])N1CCC[C@H](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000740433625 602631312 /nfs/dbraw/zinc/63/13/12/602631312.db2.gz LRDKYUAMGARNQA-CYBMUJFWSA-N -1 0 387.396 2.290 20 5 GEBDRM CCC[C@@](C)(NC(=O)[O-])C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000739300649 602710619 /nfs/dbraw/zinc/71/06/19/602710619.db2.gz YMUZARVZHZHJAX-CXAGYDPISA-N -1 0 379.369 2.070 20 5 GEBDRM C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738973897 602755819 /nfs/dbraw/zinc/75/58/19/602755819.db2.gz CTUBTZLABFSDCD-OLZOCXBDSA-N -1 0 380.401 2.051 20 5 GEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cc1OC ZINC000739496416 602760388 /nfs/dbraw/zinc/76/03/88/602760388.db2.gz LTBUKLYTUIELHZ-GHMZBOCLSA-N -1 0 381.385 2.215 20 5 GEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@@H](C)N1C(=O)[O-] ZINC000739167096 602809222 /nfs/dbraw/zinc/80/92/22/602809222.db2.gz PXHJAUYYUXCZJN-CHWSQXEVSA-N -1 0 376.413 2.408 20 5 GEBDRM COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000739850387 602811656 /nfs/dbraw/zinc/81/16/56/602811656.db2.gz KLZYOMOVCDHMQN-JQWIXIFHSA-N -1 0 381.385 2.263 20 5 GEBDRM Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740035015 602813293 /nfs/dbraw/zinc/81/32/93/602813293.db2.gz DRMJEKIEZRJCMD-GWCFXTLKSA-N -1 0 380.357 2.462 20 5 GEBDRM C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739187539 602816091 /nfs/dbraw/zinc/81/60/91/602816091.db2.gz BHAMKAKSDXFUIN-RYUDHWBXSA-N -1 0 387.396 2.136 20 5 GEBDRM O=C([O-])N1CCCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740521203 602869636 /nfs/dbraw/zinc/86/96/36/602869636.db2.gz YFBMORORKRNFFQ-SNVBAGLBSA-N -1 0 377.806 2.059 20 5 GEBDRM 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C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000739205481 603091749 /nfs/dbraw/zinc/09/17/49/603091749.db2.gz GRQQOWLXDGWLQY-ZANVPECISA-N -1 0 376.369 2.309 20 5 GEBDRM CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825266687 607606307 /nfs/dbraw/zinc/60/63/07/607606307.db2.gz GMLLUVKRZXHXLH-NEPJUHHUSA-N -1 0 394.457 2.412 20 5 GEBDRM CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825251569 607606594 /nfs/dbraw/zinc/60/65/94/607606594.db2.gz CLJKAEGSYAMGRK-VXGBXAGGSA-N -1 0 394.457 2.412 20 5 GEBDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000740578405 603128355 /nfs/dbraw/zinc/12/83/55/603128355.db2.gz GXKRSXNCFKYXAU-VXGBXAGGSA-N -1 0 376.325 2.124 20 5 GEBDRM CN(C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000828231174 603153559 /nfs/dbraw/zinc/15/35/59/603153559.db2.gz ZHXVKPJQRLARKK-SNVBAGLBSA-N -1 0 377.806 2.011 20 5 GEBDRM 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C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(F)cc2C(=O)[O-])C1=O ZINC000736742661 600057259 /nfs/dbraw/zinc/05/72/59/600057259.db2.gz RYHXLWOEEJXVFG-GOSISDBHSA-N -1 0 387.323 2.399 20 5 GEBDRM Cc1cccc(C[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000738711717 600070714 /nfs/dbraw/zinc/07/07/14/600070714.db2.gz NZSAFCUUMDCKAK-CQSZACIVSA-N -1 0 387.348 2.485 20 5 GEBDRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000736282041 600076154 /nfs/dbraw/zinc/07/61/54/600076154.db2.gz PZQZFNIGEPXZAA-GFCCVEGCSA-N -1 0 379.369 2.032 20 5 GEBDRM O=C([O-])[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc2O1 ZINC000739616075 600127590 /nfs/dbraw/zinc/12/75/90/600127590.db2.gz IRKPGVSYISQAMP-HNNXBMFYSA-N -1 0 382.332 2.497 20 5 GEBDRM NC(=O)c1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1 ZINC000479569020 600168689 /nfs/dbraw/zinc/16/86/89/600168689.db2.gz SSULGECTPHYZRS-UHFFFAOYSA-N -1 0 393.352 2.262 20 5 GEBDRM 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O=C([O-])c1cc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000740081051 600190405 /nfs/dbraw/zinc/19/04/05/600190405.db2.gz JRBQYFYZWSVRPQ-UHFFFAOYSA-N -1 0 390.396 2.159 20 5 GEBDRM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000738176379 600201203 /nfs/dbraw/zinc/20/12/03/600201203.db2.gz WRVITQODWCYWJN-UHFFFAOYSA-N -1 0 382.325 2.088 20 5 GEBDRM O=C([O-])c1occc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000740282377 600214674 /nfs/dbraw/zinc/21/46/74/600214674.db2.gz VLAUACASNHUWOU-SNVBAGLBSA-N -1 0 394.361 2.296 20 5 GEBDRM COCCN(C(C)=O)c1nc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000737763920 600247572 /nfs/dbraw/zinc/24/75/72/600247572.db2.gz BAVUOUBXCZXDIW-UHFFFAOYSA-N -1 0 395.393 2.328 20 5 GEBDRM COc1cccc(C(=O)[O-])c1OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000738084939 600249167 /nfs/dbraw/zinc/24/91/67/600249167.db2.gz JOKXXJYRJHGCOD-UHFFFAOYSA-N -1 0 388.332 2.027 20 5 GEBDRM Cc1c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738260950 600263768 /nfs/dbraw/zinc/26/37/68/600263768.db2.gz CYUWPKPKIYJTDW-GFCCVEGCSA-N -1 0 377.353 2.447 20 5 GEBDRM CC(=O)Nc1cc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1F ZINC000736160426 600264483 /nfs/dbraw/zinc/26/44/83/600264483.db2.gz FQILYBFUJCDVNB-UHFFFAOYSA-N -1 0 398.324 2.158 20 5 GEBDRM O=C([O-])c1cc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000262431340 600274725 /nfs/dbraw/zinc/27/47/25/600274725.db2.gz RZYANYCFTSTIMY-UHFFFAOYSA-N -1 0 397.387 2.345 20 5 GEBDRM O=C([O-])[C@H]1CC12CCN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CC2 ZINC000739536908 600283706 /nfs/dbraw/zinc/28/37/06/600283706.db2.gz OTNNPSFRQNLNMB-SNVBAGLBSA-N -1 0 390.364 2.282 20 5 GEBDRM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000738174669 600294070 /nfs/dbraw/zinc/29/40/70/600294070.db2.gz BRRCYEWISXOINI-UHFFFAOYSA-N -1 0 393.377 2.018 20 5 GEBDRM 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CS(=O)(=O)c1ccc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738176871 600389279 /nfs/dbraw/zinc/38/92/79/600389279.db2.gz FLXSSRRIDOXHAI-LBPRGKRZSA-N -1 0 394.405 2.059 20 5 GEBDRM O=Cc1ccc(OCC(=O)NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000740319121 600412745 /nfs/dbraw/zinc/41/27/45/600412745.db2.gz TUMQGBOBRQHIHY-UHFFFAOYSA-N -1 0 387.348 2.235 20 5 GEBDRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000739882565 600445048 /nfs/dbraw/zinc/44/50/48/600445048.db2.gz BEZPMUHLOSSSIZ-UHFFFAOYSA-N -1 0 376.390 2.363 20 5 GEBDRM O=C([O-])[C@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC000739355899 600448925 /nfs/dbraw/zinc/44/89/25/600448925.db2.gz SBODJSRQSHSXJX-OAHLLOKOSA-N -1 0 390.279 2.011 20 5 GEBDRM Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000738660558 600464848 /nfs/dbraw/zinc/46/48/48/600464848.db2.gz QVKAADWDNOLOHJ-UHFFFAOYSA-N -1 0 382.306 2.277 20 5 GEBDRM 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CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000827247741 602289876 /nfs/dbraw/zinc/28/98/76/602289876.db2.gz QIEUQBFXSHKZGT-NSHDSACASA-N -1 0 376.369 2.493 20 5 GEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H](O)COc2cccc3ccccc32)c1=O ZINC000833307875 602300096 /nfs/dbraw/zinc/30/00/96/602300096.db2.gz RPUOCVZLSCXOPG-AWEZNQCLSA-N -1 0 384.344 2.048 20 5 GEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccc3ccccc3c2)c1=O ZINC000833307064 602300125 /nfs/dbraw/zinc/30/01/25/602300125.db2.gz KHSPTJGYRXWXMS-OAHLLOKOSA-N -1 0 384.344 2.048 20 5 GEBDRM O=C([O-])NCc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000740674101 602320438 /nfs/dbraw/zinc/32/04/38/602320438.db2.gz XIDCMRLRDNMNKW-UHFFFAOYSA-N -1 0 382.336 2.400 20 5 GEBDRM Cc1cc(N[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896203 602323768 /nfs/dbraw/zinc/32/37/68/602323768.db2.gz CFAHBJPHPCHFLG-SWLSCSKDSA-N -1 0 399.469 2.462 20 5 GEBDRM 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CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000739355309 602545880 /nfs/dbraw/zinc/54/58/80/602545880.db2.gz YCBBFWRAKDLIKT-GFCCVEGCSA-N -1 0 380.401 2.006 20 5 GEBDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000740691292 602567863 /nfs/dbraw/zinc/56/78/63/602567863.db2.gz LAGVDEAKJFMZBZ-GOSISDBHSA-N -1 0 398.419 2.122 20 5 GEBDRM O=C([O-])NC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000740610849 602569087 /nfs/dbraw/zinc/56/90/87/602569087.db2.gz CGYDZXXRPXNKFR-GFCCVEGCSA-N -1 0 389.405 2.229 20 5 GEBDRM O=C([O-])NC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000740615311 602570122 /nfs/dbraw/zinc/57/01/22/602570122.db2.gz XUAODESEOZCFHD-JTQLQIEISA-N -1 0 377.444 2.151 20 5 GEBDRM C[C@H](C(=O)Nc1ccccc1NC(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000738636374 602625339 /nfs/dbraw/zinc/62/53/39/602625339.db2.gz DWVKIFOYQKMISF-SECBINFHSA-N -1 0 398.331 2.308 20 5 GEBDRM Cc1ccc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000740133031 602650863 /nfs/dbraw/zinc/65/08/63/602650863.db2.gz CVNKERRCNHCXRK-CQSZACIVSA-N -1 0 392.412 2.174 20 5 GEBDRM CCCCCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825272139 607581758 /nfs/dbraw/zinc/58/17/58/607581758.db2.gz WJGRSMOJWDTNBT-LLVKDONJSA-N -1 0 382.446 2.412 20 5 GEBDRM O=Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c([N+](=O)[O-])c1 ZINC000740734107 602726207 /nfs/dbraw/zinc/72/62/07/602726207.db2.gz SOFKGWABCKKOFT-UHFFFAOYSA-N -1 0 385.332 2.465 20 5 GEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1SC ZINC000739869775 602764646 /nfs/dbraw/zinc/76/46/46/602764646.db2.gz BWRVHFOQHBKKMH-GXSJLCMTSA-N -1 0 383.426 2.491 20 5 GEBDRM CC(C)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000738788027 602781786 /nfs/dbraw/zinc/78/17/86/602781786.db2.gz HPQSAEANXUYPKB-ZDUSSCGKSA-N -1 0 375.385 2.263 20 5 GEBDRM O=C([O-])Nc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(O)c1 ZINC000740696830 602851631 /nfs/dbraw/zinc/85/16/31/602851631.db2.gz BCEFMMREBIAODV-UHFFFAOYSA-N -1 0 386.364 2.353 20 5 GEBDRM CN(C(=O)COC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000739571931 602892657 /nfs/dbraw/zinc/89/26/57/602892657.db2.gz JXULYMIIQJFUCN-MRXNPFEDSA-N -1 0 387.348 2.110 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](NC(=O)[O-])c1ccccc1OC ZINC000739934761 602895266 /nfs/dbraw/zinc/89/52/66/602895266.db2.gz ZTJBGORVWDNALW-MRXNPFEDSA-N -1 0 389.364 2.237 20 5 GEBDRM O=C([O-])N[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000740690865 602936724 /nfs/dbraw/zinc/93/67/24/602936724.db2.gz PDEVLKLLBPRPBD-HNNXBMFYSA-N -1 0 391.311 2.225 20 5 GEBDRM Cc1ccc(NCCCNC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000740139676 602944681 /nfs/dbraw/zinc/94/46/81/602944681.db2.gz WHXDLZKOXGUNFE-UONOGXRCSA-N -1 0 393.444 2.393 20 5 GEBDRM CC1CCC(C)(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000824907540 607602852 /nfs/dbraw/zinc/60/28/52/607602852.db2.gz IQHTVIMHOBTAQG-UHFFFAOYSA-N -1 0 380.430 2.022 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)NC2CCC(NC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000740053425 603088614 /nfs/dbraw/zinc/08/86/14/603088614.db2.gz QPAKNFVZQJVJBM-UHFFFAOYSA-N -1 0 391.833 2.414 20 5 GEBDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000740579125 603123708 /nfs/dbraw/zinc/12/37/08/603123708.db2.gz IXWQBIVNDMUHNF-KOLCDFICSA-N -1 0 385.760 2.166 20 5 GEBDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000740565167 603151676 /nfs/dbraw/zinc/15/16/76/603151676.db2.gz PKYAJPGSAVJMCO-KGLIPLIRSA-N -1 0 376.413 2.070 20 5 GEBDRM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000739104005 603182527 /nfs/dbraw/zinc/18/25/27/603182527.db2.gz VXCMDFGELQNNPO-VOJFVSQTSA-N -1 0 393.396 2.312 20 5 GEBDRM C[C@@H]1CCCC[C@@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824936174 607616868 /nfs/dbraw/zinc/61/68/68/607616868.db2.gz FGHLYJOGHKRXMN-VXGBXAGGSA-N -1 0 394.457 2.270 20 5 GEBDRM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738807534 603293246 /nfs/dbraw/zinc/29/32/46/603293246.db2.gz PQSZIBDIZJHVET-QGZVFWFLSA-N -1 0 381.385 2.168 20 5 GEBDRM Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1NC(=O)[O-] ZINC000830199029 603314450 /nfs/dbraw/zinc/31/44/50/603314450.db2.gz SJXKJOMKFCPZPP-UHFFFAOYSA-N -1 0 385.380 2.351 20 5 GEBDRM C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739173196 603362670 /nfs/dbraw/zinc/36/26/70/603362670.db2.gz ZIYQXOOTSPTZRI-NHYWBVRUSA-N -1 0 387.396 2.114 20 5 GEBDRM COc1cc(CN2CCN(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739859312 603367283 /nfs/dbraw/zinc/36/72/83/603367283.db2.gz KWWZUBYMYZJUME-VIFPVBQESA-N -1 0 375.328 2.389 20 5 GEBDRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739104871 603417367 /nfs/dbraw/zinc/41/73/67/603417367.db2.gz XICLUJHTBUMGLT-QGHHPUGFSA-N -1 0 379.369 2.270 20 5 GEBDRM CC(C)[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(=O)[O-] ZINC000738778965 603420022 /nfs/dbraw/zinc/42/00/22/603420022.db2.gz SYCCQJWTUYXNHN-AWEZNQCLSA-N -1 0 378.429 2.220 20 5 GEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000832520926 603466832 /nfs/dbraw/zinc/46/68/32/603466832.db2.gz IAEHTGMKZIEWBA-ABAIWWIYSA-N -1 0 389.368 2.159 20 5 GEBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000832489734 603517451 /nfs/dbraw/zinc/51/74/51/603517451.db2.gz HVEASAUBJCKDER-LRDDRELGSA-N -1 0 393.396 2.025 20 5 GEBDRM CCN(CC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827104539 603524814 /nfs/dbraw/zinc/52/48/14/603524814.db2.gz CLLNBIZIMLYALM-UHFFFAOYSA-N -1 0 385.442 2.215 20 5 GEBDRM O=C([O-])N1CC[C@](COC(=O)COc2cccc([N+](=O)[O-])c2)(C(F)(F)F)C1 ZINC000831545241 603682349 /nfs/dbraw/zinc/68/23/49/603682349.db2.gz KNBJAHUGLCKRCS-AWEZNQCLSA-N -1 0 392.286 2.449 20 5 GEBDRM CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000827931829 603690884 /nfs/dbraw/zinc/69/08/84/603690884.db2.gz IZMGJZSOSJVYSZ-SECBINFHSA-N -1 0 391.302 2.360 20 5 GEBDRM C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1CNC(=O)[O-] ZINC000825912728 603694749 /nfs/dbraw/zinc/69/47/49/603694749.db2.gz MJLDRZNWSQBOJV-ZUZCIYMTSA-N -1 0 388.380 2.357 20 5 GEBDRM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000831645517 603779394 /nfs/dbraw/zinc/77/93/94/603779394.db2.gz BYXQXOHNMSIYBD-CQSZACIVSA-N -1 0 392.412 2.290 20 5 GEBDRM O=C(COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000831503345 603801186 /nfs/dbraw/zinc/80/11/86/603801186.db2.gz KKTOKXLCXSEDIE-QXMXGUDHSA-N -1 0 391.380 2.388 20 5 GEBDRM Cc1c(NC(=O)[C@@H](C)OC(=O)C2(NC(=O)[O-])CCCC2)cccc1[N+](=O)[O-] ZINC000829877847 603810200 /nfs/dbraw/zinc/81/02/00/603810200.db2.gz WOFFYIZBWPIQFO-LLVKDONJSA-N -1 0 379.369 2.354 20 5 GEBDRM C[C@@H](OC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000825561388 603814198 /nfs/dbraw/zinc/81/41/98/603814198.db2.gz OIMKFTVTFAOREF-BXKDBHETSA-N -1 0 383.332 2.137 20 5 GEBDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000825558892 603860697 /nfs/dbraw/zinc/86/06/97/603860697.db2.gz AVTWPHWBELEOET-TUAOUCFPSA-N -1 0 379.369 2.291 20 5 GEBDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000825560221 603863093 /nfs/dbraw/zinc/86/30/93/603863093.db2.gz HXDWXDPZWVXVNV-TUAOUCFPSA-N -1 0 379.369 2.291 20 5 GEBDRM C[C@@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000825578726 603930660 /nfs/dbraw/zinc/93/06/60/603930660.db2.gz FQZRSJODXGIDEZ-MWLCHTKSSA-N -1 0 383.332 2.137 20 5 GEBDRM Cc1c(NC(=O)[C@H](C)OC(=O)C[C@H]2CCCN2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000829877636 603948797 /nfs/dbraw/zinc/94/87/97/603948797.db2.gz PPGITCUXLDXOBD-NWDGAFQWSA-N -1 0 379.369 2.306 20 5 GEBDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000832304921 604031882 /nfs/dbraw/zinc/03/18/82/604031882.db2.gz CZALHIGAWBWEOX-MNOVXSKESA-N -1 0 376.325 2.124 20 5 GEBDRM CC(C)CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCC1 ZINC000824238066 607668759 /nfs/dbraw/zinc/66/87/59/607668759.db2.gz ZJBKKJFOXRFORR-UHFFFAOYSA-N -1 0 394.457 2.270 20 5 GEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000830138292 604046761 /nfs/dbraw/zinc/04/67/61/604046761.db2.gz QZSAZWKAVFCIPB-CYBMUJFWSA-N -1 0 385.442 2.222 20 5 GEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827594990 604048398 /nfs/dbraw/zinc/04/83/98/604048398.db2.gz KDNXRDJICWDXIK-OCCSQVGLSA-N -1 0 383.426 2.063 20 5 GEBDRM 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O=C([O-])Nc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000740710602 602602957 /nfs/dbraw/zinc/60/29/57/602602957.db2.gz USCRMWGSYHEKOQ-UHFFFAOYSA-N -1 0 386.368 2.434 20 5 GEBDRM Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1C ZINC000826300078 607576005 /nfs/dbraw/zinc/57/60/05/607576005.db2.gz HUIWHYFZDXEUSV-UHFFFAOYSA-N -1 0 375.366 2.159 20 5 GEBDRM NC(=O)c1ccc(COC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000740332921 602656026 /nfs/dbraw/zinc/65/60/26/602656026.db2.gz XIMVDXVTSHKPNF-YVLXSGLVSA-N -1 0 391.380 2.048 20 5 GEBDRM Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](CN(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740053509 602670438 /nfs/dbraw/zinc/67/04/38/602670438.db2.gz RYDHENYZMRDLSE-LLVKDONJSA-N -1 0 382.373 2.130 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739931884 602704038 /nfs/dbraw/zinc/70/40/38/602704038.db2.gz FYYAWCAJDIDUAA-NSHDSACASA-N -1 0 380.401 2.181 20 5 GEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cc1SC ZINC000739869783 602764613 /nfs/dbraw/zinc/76/46/13/602764613.db2.gz BWRVHFOQHBKKMH-ONGXEEELSA-N -1 0 383.426 2.491 20 5 GEBDRM CCOc1cc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000739486898 602767595 /nfs/dbraw/zinc/76/75/95/602767595.db2.gz LMCZTJYKCGKDSD-PHIMTYICSA-N -1 0 381.385 2.215 20 5 GEBDRM C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)N1C(=O)[O-] ZINC000739123697 602769830 /nfs/dbraw/zinc/76/98/30/602769830.db2.gz FDUDBBBRWSMTKK-OKILXGFUSA-N -1 0 390.440 2.410 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740633301 602799550 /nfs/dbraw/zinc/79/95/50/602799550.db2.gz NYSNCMZVKVXRBX-SWLSCSKDSA-N -1 0 387.396 2.337 20 5 GEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@H](C)N1C(=O)[O-] ZINC000739167099 602809287 /nfs/dbraw/zinc/80/92/87/602809287.db2.gz PXHJAUYYUXCZJN-STQMWFEESA-N -1 0 376.413 2.408 20 5 GEBDRM O=C([O-])N1CCCC[C@@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000740519173 602814907 /nfs/dbraw/zinc/81/49/07/602814907.db2.gz MOYYZZAKVMSTDP-CQSZACIVSA-N -1 0 392.412 2.012 20 5 GEBDRM C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739187540 602815903 /nfs/dbraw/zinc/81/59/03/602815903.db2.gz BHAMKAKSDXFUIN-TXEJJXNPSA-N -1 0 387.396 2.136 20 5 GEBDRM C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739187542 602816093 /nfs/dbraw/zinc/81/60/93/602816093.db2.gz BHAMKAKSDXFUIN-VXGBXAGGSA-N -1 0 387.396 2.136 20 5 GEBDRM C[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739041334 602895462 /nfs/dbraw/zinc/89/54/62/602895462.db2.gz FFJKYHBIZSGRAI-GXSJLCMTSA-N -1 0 376.325 2.249 20 5 GEBDRM O=C([O-])NCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000740642751 603035987 /nfs/dbraw/zinc/03/59/87/603035987.db2.gz IWLXKOQROIKGFB-UHFFFAOYSA-N -1 0 386.202 2.477 20 5 GEBDRM O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[nH]1 ZINC000740681581 603060748 /nfs/dbraw/zinc/06/07/48/603060748.db2.gz OOKHMHGPPNMOFU-UHFFFAOYSA-N -1 0 382.336 2.400 20 5 GEBDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000832339005 603137190 /nfs/dbraw/zinc/13/71/90/603137190.db2.gz LPGWBEKMVOYEHJ-JKSUJKDBSA-N -1 0 377.397 2.401 20 5 GEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1C ZINC000830137401 603140449 /nfs/dbraw/zinc/14/04/49/603140449.db2.gz AONLTSZUCUXFNL-YHWZYXNKSA-N -1 0 383.426 2.163 20 5 GEBDRM O=C([O-])NC[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000832489409 603197160 /nfs/dbraw/zinc/19/71/60/603197160.db2.gz DICPLXDIIZIWGV-SCZZXKLOSA-N -1 0 393.368 2.439 20 5 GEBDRM CCOC(=O)c1ccnc(NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1[N+](=O)[O-] ZINC000739478817 603198401 /nfs/dbraw/zinc/19/84/01/603198401.db2.gz NZQKJJOOXYNGDM-MWLCHTKSSA-N -1 0 382.373 2.082 20 5 GEBDRM CS(=O)(=O)c1ccc(NC[C@@H](NC(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000829695131 603201100 /nfs/dbraw/zinc/20/11/00/603201100.db2.gz ATBNYRMIRXIBQT-CQSZACIVSA-N -1 0 379.394 2.419 20 5 GEBDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000739212198 603223866 /nfs/dbraw/zinc/22/38/66/603223866.db2.gz YIVJXCLGWCGYHE-XPTSAGLGSA-N -1 0 376.369 2.309 20 5 GEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1NC(=O)[O-] ZINC000739164403 603334381 /nfs/dbraw/zinc/33/43/81/603334381.db2.gz CRYIMPHMHAXQPJ-QPUJVOFHSA-N -1 0 386.202 2.476 20 5 GEBDRM CC(C)[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000738793514 603411496 /nfs/dbraw/zinc/41/14/96/603411496.db2.gz LDMPSDMMKWPSKK-AWEZNQCLSA-N -1 0 375.385 2.017 20 5 GEBDRM O=C([O-])NC[C@H]1CCCC[C@H]1OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832520459 603457462 /nfs/dbraw/zinc/45/74/62/603457462.db2.gz BMVDYNOPTKJWFC-IUODEOHRSA-N -1 0 376.369 2.314 20 5 GEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832520458 603457474 /nfs/dbraw/zinc/45/74/74/603457474.db2.gz BMVDYNOPTKJWFC-DOMZBBRYSA-N -1 0 376.369 2.314 20 5 GEBDRM CCOc1cc(N2CCC(OC(=O)CN(C)C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000827419050 603472154 /nfs/dbraw/zinc/47/21/54/603472154.db2.gz WWYLWDXBPOTJNJ-UHFFFAOYSA-N -1 0 381.385 2.115 20 5 GEBDRM O=C([O-])N(CC1CC1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000831825526 603492841 /nfs/dbraw/zinc/49/28/41/603492841.db2.gz AAUQUFFCKGKHNE-UHFFFAOYSA-N -1 0 383.426 2.138 20 5 GEBDRM CC[C@@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000826613334 603629252 /nfs/dbraw/zinc/62/92/52/603629252.db2.gz HXZPQTZWRNDACB-MRXNPFEDSA-N -1 0 393.444 2.031 20 5 GEBDRM COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000829081366 603658465 /nfs/dbraw/zinc/65/84/65/603658465.db2.gz PEACMMRXDLLEBR-GWCFXTLKSA-N -1 0 381.385 2.120 20 5 GEBDRM C[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CNC(=O)[O-] ZINC000825919703 603672294 /nfs/dbraw/zinc/67/22/94/603672294.db2.gz RKTAQTRWGXLQPK-LRDDRELGSA-N -1 0 387.396 2.289 20 5 GEBDRM COc1cc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000829077855 603721418 /nfs/dbraw/zinc/72/14/18/603721418.db2.gz WVTYGELNTZCFOL-QMMMGPOBSA-N -1 0 389.311 2.029 20 5 GEBDRM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1CNC(=O)[O-] ZINC000825931167 603761434 /nfs/dbraw/zinc/76/14/34/603761434.db2.gz HMAYRSNBNDHTIU-SKDRFNHKSA-N -1 0 391.833 2.305 20 5 GEBDRM CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000824024910 603776984 /nfs/dbraw/zinc/77/69/84/603776984.db2.gz IQHMVYYRPPHUHR-UHFFFAOYSA-N -1 0 393.396 2.100 20 5 GEBDRM C[C@@H](OC(=O)C1(NC(=O)[O-])CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000825553386 603797124 /nfs/dbraw/zinc/79/71/24/603797124.db2.gz XGYPAHCQJWWFCI-LLVKDONJSA-N -1 0 379.369 2.436 20 5 GEBDRM COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000829598695 603827775 /nfs/dbraw/zinc/82/77/75/603827775.db2.gz QPLLONIOWCOIFD-CYBMUJFWSA-N -1 0 377.328 2.481 20 5 GEBDRM C[C@H](OC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000825561369 603840157 /nfs/dbraw/zinc/84/01/57/603840157.db2.gz ODRFPYMVOQRXGW-PEXQALLHSA-N -1 0 383.332 2.040 20 5 GEBDRM CC(C)[C@@H](CCN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)NC(=O)[O-] ZINC000824099580 603851941 /nfs/dbraw/zinc/85/19/41/603851941.db2.gz PXVIGAXEGSISAK-OAHLLOKOSA-N -1 0 378.429 2.098 20 5 GEBDRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000825561122 603855371 /nfs/dbraw/zinc/85/53/71/603855371.db2.gz MIHSGLVGUAYHMF-DMDPSCGWSA-N -1 0 379.369 2.291 20 5 GEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000830533333 603861753 /nfs/dbraw/zinc/86/17/53/603861753.db2.gz SZDXRUDEMFEAOQ-NEPJUHHUSA-N -1 0 379.369 2.211 20 5 GEBDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000832331325 603873595 /nfs/dbraw/zinc/87/35/95/603873595.db2.gz CSAXZCZKHWMBHE-LALPHHSUSA-N -1 0 391.380 2.070 20 5 GEBDRM CC1(C)CN(C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000825734967 603893497 /nfs/dbraw/zinc/89/34/97/603893497.db2.gz SVZSUKGNXQNELW-UHFFFAOYSA-N -1 0 377.806 2.011 20 5 GEBDRM NC(=O)c1ccc(COC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000831229869 603928036 /nfs/dbraw/zinc/92/80/36/603928036.db2.gz VHXGRPPLTKWNHM-KGLIPLIRSA-N -1 0 393.396 2.344 20 5 GEBDRM O=C([O-])N1CCC[C@H]1CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831504373 603942108 /nfs/dbraw/zinc/94/21/08/603942108.db2.gz WCWSWPXDWFTZNL-JTQLQIEISA-N -1 0 385.760 2.262 20 5 GEBDRM Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1[N+](=O)[O-] ZINC000829859753 603957387 /nfs/dbraw/zinc/95/73/87/603957387.db2.gz QGPCWHFCUSSSEY-NEPJUHHUSA-N -1 0 380.357 2.025 20 5 GEBDRM C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000825604766 604011354 /nfs/dbraw/zinc/01/13/54/604011354.db2.gz YXYJVWGOWNTOAY-SECBINFHSA-N -1 0 377.309 2.139 20 5 GEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000830532716 604014279 /nfs/dbraw/zinc/01/42/79/604014279.db2.gz OIZGCGHSLBICQC-UHFFFAOYSA-N -1 0 377.309 2.059 20 5 GEBDRM CCCc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1 ZINC000825348501 607667873 /nfs/dbraw/zinc/66/78/73/607667873.db2.gz NQBIUHXEPGZDJE-UHFFFAOYSA-N -1 0 389.393 2.495 20 5 GEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1C ZINC000830138120 604042442 /nfs/dbraw/zinc/04/24/42/604042442.db2.gz LGCKJQCVFSEUIR-QWHCGFSZSA-N -1 0 385.442 2.268 20 5 GEBDRM CCCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCC1 ZINC000825248574 607671085 /nfs/dbraw/zinc/67/10/85/607671085.db2.gz WGLIRSHRIHYHTG-UHFFFAOYSA-N -1 0 380.430 2.024 20 5 GEBDRM 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CC(C)CCSCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000754671848 652441963 /nfs/dbraw/zinc/44/19/63/652441963.db2.gz IFQNDFGFTMQCPS-UHFFFAOYSA-N -1 0 395.890 2.415 20 5 GEBDRM CC(=O)CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000755803584 652476775 /nfs/dbraw/zinc/47/67/75/652476775.db2.gz NUCMHNYYBDGBBU-UHFFFAOYSA-N -1 0 391.833 2.031 20 5 GEBDRM C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000583553182 652489448 /nfs/dbraw/zinc/48/94/48/652489448.db2.gz HWLHHUVYRZRFJN-RNCFNFMXSA-N -1 0 382.360 2.443 20 5 GEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc([C@H]2CCCO2)n1 ZINC000756496472 652499383 /nfs/dbraw/zinc/49/93/83/652499383.db2.gz FLXZDOVPZSJAIM-LLVKDONJSA-N -1 0 383.407 2.022 20 5 GEBDRM CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000592076821 652583986 /nfs/dbraw/zinc/58/39/86/652583986.db2.gz FAMPXIPOZNUHMJ-SSDOTTSWSA-N -1 0 385.225 2.379 20 5 GEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000760180829 652597891 /nfs/dbraw/zinc/59/78/91/652597891.db2.gz DQPGRUSGRVZTLB-UHFFFAOYSA-N -1 0 383.813 2.426 20 5 GEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2csc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000761423783 652647090 /nfs/dbraw/zinc/64/70/90/652647090.db2.gz SPDYHJDLVUKFLI-UHFFFAOYSA-N -1 0 385.423 2.302 20 5 GEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)c2nc(C(=O)[O-])cs2)c(C)cc1[N+](=O)[O-] ZINC000594574086 652668505 /nfs/dbraw/zinc/66/85/05/652668505.db2.gz VCVAFTURDFGBFZ-VIFPVBQESA-N -1 0 385.423 2.406 20 5 GEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CC2CCSCC2)cc1[N+](=O)[O-] ZINC000762090506 652671815 /nfs/dbraw/zinc/67/18/15/652671815.db2.gz YIJBNNZYAYDIKS-UHFFFAOYSA-N -1 0 393.874 2.169 20 5 GEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)c(Cl)cc1F ZINC000762157277 652677410 /nfs/dbraw/zinc/67/74/10/652677410.db2.gz CBLOPTLJDGBPSV-UHFFFAOYSA-N -1 0 375.765 2.153 20 5 GEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000763951955 652780301 /nfs/dbraw/zinc/78/03/01/652780301.db2.gz JAKDVQXPHLYTKU-UHFFFAOYSA-N -1 0 380.809 2.468 20 5 GEBDRM COc1ccc2c(c1)[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)CC2 ZINC000763977376 652780882 /nfs/dbraw/zinc/78/08/82/652780882.db2.gz IRWLGZCORSGMTQ-GFCCVEGCSA-N -1 0 382.419 2.200 20 5 GEBDRM CS(=O)(=O)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000598204439 652806197 /nfs/dbraw/zinc/80/61/97/652806197.db2.gz LTOIDPMCILTPHS-UHFFFAOYSA-N -1 0 390.845 2.431 20 5 GEBDRM COCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000764642661 652807897 /nfs/dbraw/zinc/80/78/97/652807897.db2.gz RQDADYFSBWFPNU-UHFFFAOYSA-N -1 0 388.467 2.336 20 5 GEBDRM COC(=O)[C@](C)([N-]S(=O)(=O)c1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000599484630 652875785 /nfs/dbraw/zinc/87/57/85/652875785.db2.gz ONMBQTHSZIBIMM-OAHLLOKOSA-N -1 0 384.435 2.331 20 5 GEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1Cl ZINC000766844677 652899786 /nfs/dbraw/zinc/89/97/86/652899786.db2.gz YNIWBKNRNGMMRC-UHFFFAOYSA-N -1 0 385.785 2.079 20 5 GEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766890615 652902495 /nfs/dbraw/zinc/90/24/95/652902495.db2.gz WPFOYCJRWDHMPK-UHFFFAOYSA-N -1 0 381.435 2.362 20 5 GEBDRM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600654315 652924825 /nfs/dbraw/zinc/92/48/25/652924825.db2.gz XJVUPZZQLUOKQA-UHFFFAOYSA-N -1 0 389.231 2.454 20 5 GEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000767498164 652930749 /nfs/dbraw/zinc/93/07/49/652930749.db2.gz DKPMMUGTKDDUHG-UHFFFAOYSA-N -1 0 384.439 2.213 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000774036534 653221495 /nfs/dbraw/zinc/22/14/95/653221495.db2.gz WZTSHZIUYYETII-LDYMZIIASA-N -1 0 376.818 2.034 20 5 GEBDRM Cc1nc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C ZINC000774067459 653222775 /nfs/dbraw/zinc/22/27/75/653222775.db2.gz QGTXJRHDEAHMMI-UHFFFAOYSA-N -1 0 375.815 2.440 20 5 GEBDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770747248 653223741 /nfs/dbraw/zinc/22/37/41/653223741.db2.gz DXQBITRDALPVMY-SSDOTTSWSA-N -1 0 397.272 2.161 20 5 GEBDRM CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770769145 653224332 /nfs/dbraw/zinc/22/43/32/653224332.db2.gz ZMVOGEDEQHAVDE-LLVKDONJSA-N -1 0 376.406 2.380 20 5 GEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CSc2ccccc21 ZINC000770775896 653224382 /nfs/dbraw/zinc/22/43/82/653224382.db2.gz OXFSTISZCHATGK-NSHDSACASA-N -1 0 382.394 2.428 20 5 GEBDRM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000774103609 653224789 /nfs/dbraw/zinc/22/47/89/653224789.db2.gz NVVAPWJOIBEYMY-RMLUDKJBSA-N -1 0 375.834 2.318 20 5 GEBDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000809551517 653280740 /nfs/dbraw/zinc/28/07/40/653280740.db2.gz WPKXZYHKWRSEAR-ZDUSSCGKSA-N -1 0 386.769 2.058 20 5 GEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000775276426 653307606 /nfs/dbraw/zinc/30/76/06/653307606.db2.gz RRTWAZCKOKVZJM-LLVKDONJSA-N -1 0 388.467 2.191 20 5 GEBDRM O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000775547262 653316814 /nfs/dbraw/zinc/31/68/14/653316814.db2.gz VJNGVHAALDANEX-SSDOTTSWSA-N -1 0 399.180 2.029 20 5 GEBDRM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000810117088 653327189 /nfs/dbraw/zinc/32/71/89/653327189.db2.gz YHQODOPBVLPIFS-MRVPVSSYSA-N -1 0 376.416 2.004 20 5 GEBDRM COCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000810519675 653344165 /nfs/dbraw/zinc/34/41/65/653344165.db2.gz SMWRHXDQTVEHNT-UHFFFAOYSA-N -1 0 378.834 2.424 20 5 GEBDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br ZINC000776524666 653354416 /nfs/dbraw/zinc/35/44/16/653354416.db2.gz ANMDKIOSLNLLAX-SNAWJCMRSA-N -1 0 392.231 2.101 20 5 GEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000776541502 653356057 /nfs/dbraw/zinc/35/60/57/653356057.db2.gz ADUQEEDEYXBBCM-NSHDSACASA-N -1 0 388.785 2.124 20 5 GEBDRM O=C([O-])[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000776571707 653359931 /nfs/dbraw/zinc/35/99/31/653359931.db2.gz OGWAWYCFRHMDRW-NSHDSACASA-N -1 0 376.799 2.414 20 5 GEBDRM O=C([O-])c1ccccc1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776614654 653364452 /nfs/dbraw/zinc/36/44/52/653364452.db2.gz QNDMAJKENIECPX-UHFFFAOYSA-N -1 0 384.797 2.467 20 5 GEBDRM Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000776634793 653367227 /nfs/dbraw/zinc/36/72/27/653367227.db2.gz NVQUTYWRCQMOHC-GXTWGEPZSA-N -1 0 376.818 2.478 20 5 GEBDRM COc1cccc(N(CCC(=O)[O-])S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000776666088 653369501 /nfs/dbraw/zinc/36/95/01/653369501.db2.gz GSLMUKWXQNNPAB-UHFFFAOYSA-N -1 0 386.407 2.335 20 5 GEBDRM CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000776716934 653374367 /nfs/dbraw/zinc/37/43/67/653374367.db2.gz USQAWJGGTQRGIN-UHFFFAOYSA-N -1 0 395.231 2.089 20 5 GEBDRM O=C(OCCc1cnc2c(Br)cnn2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000811164008 653380148 /nfs/dbraw/zinc/38/01/48/653380148.db2.gz CAPLRDRTZLVVQG-UHFFFAOYSA-N -1 0 380.158 2.128 20 5 GEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 ZINC000777287484 653392425 /nfs/dbraw/zinc/39/24/25/653392425.db2.gz VNZMSCGOUZMZTI-UHFFFAOYSA-N -1 0 382.419 2.444 20 5 GEBDRM COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777293008 653392799 /nfs/dbraw/zinc/39/27/99/653392799.db2.gz JHZOZGXUWFUTLQ-UHFFFAOYSA-N -1 0 385.785 2.079 20 5 GEBDRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811831425 653408553 /nfs/dbraw/zinc/40/85/53/653408553.db2.gz AKTQHFKYJBCOBW-UHFFFAOYSA-N -1 0 388.789 2.257 20 5 GEBDRM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000837289707 653420153 /nfs/dbraw/zinc/42/01/53/653420153.db2.gz VVDXIRXTHGJTRO-QMMMGPOBSA-N -1 0 380.781 2.263 20 5 GEBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000838318789 653619647 /nfs/dbraw/zinc/61/96/47/653619647.db2.gz HABDEHPHUOVSGB-UWVGGRQHSA-N -1 0 380.813 2.469 20 5 GEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC000780358248 653624581 /nfs/dbraw/zinc/62/45/81/653624581.db2.gz DWRORXFPHQKOKK-UHFFFAOYSA-N -1 0 375.472 2.412 20 5 GEBDRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000860504448 653628858 /nfs/dbraw/zinc/62/88/58/653628858.db2.gz KEBKOSDVKPDVTC-APOZVJGGSA-N -1 0 376.818 2.113 20 5 GEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780610622 653628998 /nfs/dbraw/zinc/62/89/98/653628998.db2.gz NENYDMBIGSRXGY-LBPRGKRZSA-N -1 0 388.467 2.334 20 5 GEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCCSC ZINC000839062820 653641406 /nfs/dbraw/zinc/64/14/06/653641406.db2.gz TWABLBBZXNNQMA-UHFFFAOYSA-N -1 0 375.472 2.365 20 5 GEBDRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000781752279 653648764 /nfs/dbraw/zinc/64/87/64/653648764.db2.gz WRVHYKMPZHIMHV-UHFFFAOYSA-N -1 0 386.817 2.282 20 5 GEBDRM 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CCOc1ccc(NC(=O)CN2CCC(N(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000737886754 602535103 /nfs/dbraw/zinc/53/51/03/602535103.db2.gz RZDLRQULXUFNRR-UHFFFAOYSA-N -1 0 380.401 2.006 20 5 GEBDRM CN(C(=O)[O-])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000737939896 602538567 /nfs/dbraw/zinc/53/85/67/602538567.db2.gz WYNXYIZKAOBIJC-UHFFFAOYSA-N -1 0 377.806 2.011 20 5 GEBDRM CCCN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000739346391 602550709 /nfs/dbraw/zinc/55/07/09/602550709.db2.gz CUOSQHQQSPHONL-ZDUSSCGKSA-N -1 0 385.442 2.365 20 5 GEBDRM O=C([O-])N1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740383285 602554618 /nfs/dbraw/zinc/55/46/18/602554618.db2.gz ZSVYHAHREFAQBN-NSHDSACASA-N -1 0 385.760 2.262 20 5 GEBDRM CC(C)CCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824242712 607573033 /nfs/dbraw/zinc/57/30/33/607573033.db2.gz AMZYQCRIVWOUJS-LLVKDONJSA-N -1 0 382.446 2.268 20 5 GEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 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/nfs/dbraw/zinc/88/39/48/602883948.db2.gz SNGDRGZEXFDABA-UHFFFAOYSA-N -1 0 389.320 2.494 20 5 GEBDRM COc1ccc(CSCC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000739900894 602945945 /nfs/dbraw/zinc/94/59/45/602945945.db2.gz AVKQXBOLUHEFFR-NSHDSACASA-N -1 0 383.426 2.047 20 5 GEBDRM CCC(CC)(CNC(=O)[O-])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000739251933 602983008 /nfs/dbraw/zinc/98/30/08/602983008.db2.gz GMRCFJGTKKAJGR-UHFFFAOYSA-N -1 0 376.369 2.405 20 5 GEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740636697 602988345 /nfs/dbraw/zinc/98/83/45/602988345.db2.gz WKHUBCWUOVKBGK-HZMBPMFUSA-N -1 0 388.380 2.405 20 5 GEBDRM O=C([O-])N1CCC(COC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000740718816 603005907 /nfs/dbraw/zinc/00/59/07/603005907.db2.gz CNNUBMCERRAXFI-UHFFFAOYSA-N -1 0 375.337 2.395 20 5 GEBDRM O=C([O-])N[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000740533028 603016579 /nfs/dbraw/zinc/01/65/79/603016579.db2.gz 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20 5 GEBDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000740579992 603123770 /nfs/dbraw/zinc/12/37/70/603123770.db2.gz LHAVUWNQQTWRLQ-NXEZZACHSA-N -1 0 385.760 2.166 20 5 GEBDRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000831320866 603137208 /nfs/dbraw/zinc/13/72/08/603137208.db2.gz SGQNCWMGWJNNSP-CQSZACIVSA-N -1 0 377.397 2.497 20 5 GEBDRM O=C([O-])N[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000832141179 603145640 /nfs/dbraw/zinc/14/56/40/603145640.db2.gz QKNMWDIMCUAIAD-GFCCVEGCSA-N -1 0 383.357 2.021 20 5 GEBDRM CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000738861662 603211590 /nfs/dbraw/zinc/21/15/90/603211590.db2.gz GVPFXQICVBRTTE-GXTWGEPZSA-N -1 0 393.396 2.094 20 5 GEBDRM C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824925260 607616505 /nfs/dbraw/zinc/61/65/05/607616505.db2.gz CHYRSPUCMDGSEG-VXGBXAGGSA-N -1 0 394.457 2.270 20 5 GEBDRM Cc1c(C(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000740039111 603289334 /nfs/dbraw/zinc/28/93/34/603289334.db2.gz CMNMLALHCAHCJD-INIZCTEOSA-N -1 0 380.357 2.286 20 5 GEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739496444 603340797 /nfs/dbraw/zinc/34/07/97/603340797.db2.gz MOAQVGRTJSHXAI-ZYHUDNBSSA-N -1 0 381.385 2.120 20 5 GEBDRM C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739163466 603351200 /nfs/dbraw/zinc/35/12/00/603351200.db2.gz AEFWBAIVGVKUBQ-TZMCWYRMSA-N -1 0 376.413 2.313 20 5 GEBDRM CN(C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000828253858 603456087 /nfs/dbraw/zinc/45/60/87/603456087.db2.gz SNIXZDGWSGPQSR-SECBINFHSA-N -1 0 386.202 2.429 20 5 GEBDRM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1CCCN1C(=O)[O-] ZINC000825603968 603592717 /nfs/dbraw/zinc/59/27/17/603592717.db2.gz UOKBRHBJAPILBR-IUODEOHRSA-N -1 0 393.396 2.119 20 5 GEBDRM CCN(CC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1)C(=O)[O-] ZINC000827098492 603600019 /nfs/dbraw/zinc/60/00/19/603600019.db2.gz BHRFEPKPIUSQCD-UHFFFAOYSA-N -1 0 390.238 2.223 20 5 GEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000829888850 603606988 /nfs/dbraw/zinc/60/69/88/603606988.db2.gz JOWPGMDJHVOINL-UHFFFAOYSA-N -1 0 380.357 2.462 20 5 GEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000829510406 603631762 /nfs/dbraw/zinc/63/17/62/603631762.db2.gz IBZKHYLNWDWREQ-UHFFFAOYSA-N -1 0 380.401 2.324 20 5 GEBDRM C[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H]1CNC(=O)[O-] ZINC000825912029 603651937 /nfs/dbraw/zinc/65/19/37/603651937.db2.gz COCZHNTXVKZPCQ-WBMJQRKESA-N -1 0 387.396 2.289 20 5 GEBDRM Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829843535 603658525 /nfs/dbraw/zinc/65/85/25/603658525.db2.gz BEWPMPCCGTYDJK-OTYXRUKQSA-N -1 0 380.357 2.320 20 5 GEBDRM Cc1ccc([C@@H](C)NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000830252323 603758078 /nfs/dbraw/zinc/75/80/78/603758078.db2.gz XGOWPPGZKWGQHL-CYBMUJFWSA-N -1 0 378.429 2.155 20 5 GEBDRM C[C@H](OC(=O)C1(CNC(=O)[O-])CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000825544256 603760148 /nfs/dbraw/zinc/76/01/48/603760148.db2.gz KXLKONKNNOCIOK-NSHDSACASA-N -1 0 379.369 2.293 20 5 GEBDRM CC(C)(CNC(=O)[O-])C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000823972862 603785804 /nfs/dbraw/zinc/78/58/04/603785804.db2.gz ISYMWHWKDJTGEV-LBPRGKRZSA-N -1 0 393.396 2.036 20 5 GEBDRM NC(=O)c1ccc(COC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([N+](=O)[O-])c1 ZINC000831229408 603806531 /nfs/dbraw/zinc/80/65/31/603806531.db2.gz FWMBVNMPDOFMBM-FTNCPSPGSA-N -1 0 391.380 2.048 20 5 GEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000830533336 603861596 /nfs/dbraw/zinc/86/15/96/603861596.db2.gz SZDXRUDEMFEAOQ-RYUDHWBXSA-N -1 0 379.369 2.211 20 5 GEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000830137543 603863999 /nfs/dbraw/zinc/86/39/99/603863999.db2.gz CTJJFFLSLOCQBJ-RYUDHWBXSA-N -1 0 379.369 2.211 20 5 GEBDRM C[C@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000825578724 603930737 /nfs/dbraw/zinc/93/07/37/603930737.db2.gz FQZRSJODXGIDEZ-GXSJLCMTSA-N -1 0 383.332 2.137 20 5 GEBDRM COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829442666 603975490 /nfs/dbraw/zinc/97/54/90/603975490.db2.gz PGVGQERVINHRHR-UPJWGTAASA-N -1 0 392.412 2.147 20 5 GEBDRM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(CNC(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC000829877792 604017866 /nfs/dbraw/zinc/01/78/66/604017866.db2.gz UVUGOXVEMGWJGG-JTQLQIEISA-N -1 0 391.336 2.448 20 5 GEBDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000832296922 604037007 /nfs/dbraw/zinc/03/70/07/604037007.db2.gz MXHYAJKUTKBLCP-BDAKNGLRSA-N -1 0 385.760 2.166 20 5 GEBDRM 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ZINC000842451924 653757190 /nfs/dbraw/zinc/75/71/90/653757190.db2.gz NGMKDRZEWZOQAB-NSHDSACASA-N -1 0 384.332 2.090 20 5 GEBDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842451390 653757219 /nfs/dbraw/zinc/75/72/19/653757219.db2.gz JSMQKPVKEIWIIE-ZETCQYMHSA-N -1 0 386.373 2.418 20 5 GEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000820111374 653766940 /nfs/dbraw/zinc/76/69/40/653766940.db2.gz RJGACXZERPSOFS-BDAKNGLRSA-N -1 0 375.834 2.462 20 5 GEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1occc1Br ZINC000789475292 653775672 /nfs/dbraw/zinc/77/56/72/653775672.db2.gz KGKANVNUWYUTIX-UHFFFAOYSA-N -1 0 389.183 2.377 20 5 GEBDRM CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000843297313 653784151 /nfs/dbraw/zinc/78/41/51/653784151.db2.gz GTRGQIMNXBXDMU-GMSGAONNSA-N -1 0 380.781 2.404 20 5 GEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000843304245 653784846 /nfs/dbraw/zinc/78/48/46/653784846.db2.gz DEZURAAANPNXPP-SCZZXKLOSA-N -1 0 376.818 2.288 20 5 GEBDRM C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC000843304525 653784958 /nfs/dbraw/zinc/78/49/58/653784958.db2.gz KITMPBDIGWOIGS-JGVFFNPUSA-N -1 0 380.781 2.119 20 5 GEBDRM C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-] ZINC000843304526 653784984 /nfs/dbraw/zinc/78/49/84/653784984.db2.gz KITMPBDIGWOIGS-SFYZADRCSA-N -1 0 380.781 2.119 20 5 GEBDRM O=C([N-]CC1CN(c2ccc(Br)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000866296795 653790492 /nfs/dbraw/zinc/79/04/92/653790492.db2.gz WJHMUYOKZBREJP-UHFFFAOYSA-N -1 0 382.136 2.472 20 5 GEBDRM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000821616045 653802312 /nfs/dbraw/zinc/80/23/12/653802312.db2.gz AKFDZQDJTRDQKT-UHFFFAOYSA-N -1 0 376.177 2.415 20 5 GEBDRM O=C([O-])[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC1CC1 ZINC000844822313 653820918 /nfs/dbraw/zinc/82/09/18/653820918.db2.gz VOGIKBPHQJCMKO-MRVPVSSYSA-N -1 0 380.781 2.167 20 5 GEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000844902720 653828591 /nfs/dbraw/zinc/82/85/91/653828591.db2.gz UMHVGRPCADZFNL-CYBMUJFWSA-N -1 0 376.337 2.103 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2ccnc2)cc1[N+](=O)[O-] ZINC000845436848 653847936 /nfs/dbraw/zinc/84/79/36/653847936.db2.gz MMXSWNBXLPTBAN-SECBINFHSA-N -1 0 386.817 2.209 20 5 GEBDRM C[C@@H](COCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1 ZINC000845469338 653850040 /nfs/dbraw/zinc/85/00/40/653850040.db2.gz ZEHTYUCEOFFLCH-NSHDSACASA-N -1 0 384.435 2.282 20 5 GEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)nn1C ZINC000794056967 653893669 /nfs/dbraw/zinc/89/36/69/653893669.db2.gz AVAJORIGJWPHMU-UHFFFAOYSA-N -1 0 389.231 2.454 20 5 GEBDRM CC(C)(C)n1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000847633688 653938396 /nfs/dbraw/zinc/93/83/96/653938396.db2.gz OHKRAHDASSICGL-UHFFFAOYSA-N -1 0 386.817 2.318 20 5 GEBDRM Cc1nn(C(C)C)cc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000847633087 653938492 /nfs/dbraw/zinc/93/84/92/653938492.db2.gz GIAZCXZAXCZTIO-UHFFFAOYSA-N -1 0 386.817 2.453 20 5 GEBDRM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795304409 653944499 /nfs/dbraw/zinc/94/44/99/653944499.db2.gz HHKYQURZIPHIKO-UHFFFAOYSA-N -1 0 392.162 2.398 20 5 GEBDRM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795910998 653976881 /nfs/dbraw/zinc/97/68/81/653976881.db2.gz ADDDRHWAEXJNQE-ZDUSSCGKSA-N -1 0 380.825 2.463 20 5 GEBDRM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N1CCCCC1=O ZINC000795963707 653980338 /nfs/dbraw/zinc/98/03/38/653980338.db2.gz QJKMKDWCHSGTLV-SECBINFHSA-N -1 0 393.824 2.067 20 5 GEBDRM CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000796609692 654002013 /nfs/dbraw/zinc/00/20/13/654002013.db2.gz ATVRRGCMKOGGDI-SDBXPKJASA-N -1 0 378.834 2.423 20 5 GEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000796611949 654002235 /nfs/dbraw/zinc/00/22/35/654002235.db2.gz OMTWCGDJYCGICK-JTQLQIEISA-N -1 0 376.818 2.178 20 5 GEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C(F)(F)Cc1ccccc1 ZINC000796704470 654005127 /nfs/dbraw/zinc/00/51/27/654005127.db2.gz AMWWRTIMVLJCKS-UHFFFAOYSA-N -1 0 376.362 2.339 20 5 GEBDRM O=C([O-])[C@H]1N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC12CCCC2 ZINC000849220263 654007425 /nfs/dbraw/zinc/00/74/25/654007425.db2.gz BRCBJEKFVBZTFR-GFCCVEGCSA-N -1 0 392.792 2.405 20 5 GEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000796775992 654008056 /nfs/dbraw/zinc/00/80/56/654008056.db2.gz SENODEUDTUZZGV-UHFFFAOYSA-N -1 0 377.300 2.369 20 5 GEBDRM C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000849221327 654007963 /nfs/dbraw/zinc/00/79/63/654007963.db2.gz YYSPHPGVDZPZFG-VHSXEESVSA-N -1 0 376.818 2.370 20 5 GEBDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000797068607 654017148 /nfs/dbraw/zinc/01/71/48/654017148.db2.gz NTWNJRGDUSCZNT-UHFFFAOYSA-N -1 0 384.797 2.304 20 5 GEBDRM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2ncnn21 ZINC000849424680 654031464 /nfs/dbraw/zinc/03/14/64/654031464.db2.gz YAVXQQFIQOHBFZ-POYBYMJQSA-N -1 0 392.224 2.477 20 5 GEBDRM O=C(C[C@@H]1CCC(F)(F)C1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000797953854 654047099 /nfs/dbraw/zinc/04/70/99/654047099.db2.gz GIORKJOENLQGGB-LBPRGKRZSA-N -1 0 376.381 2.409 20 5 GEBDRM O=C([N-]S(=O)(=O)c1cccc2nsnc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000797967761 654047748 /nfs/dbraw/zinc/04/77/48/654047748.db2.gz HTGAXZFULVRHHJ-UHFFFAOYSA-N -1 0 398.809 2.372 20 5 GEBDRM COc1cc(S(=O)(=O)[N-]c2c(C)onc2OC(F)F)ccc1[N+](=O)[O-] ZINC000829935714 654085751 /nfs/dbraw/zinc/08/57/51/654085751.db2.gz OKYLCFDNNKRHRS-UHFFFAOYSA-N -1 0 379.297 2.302 20 5 GEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000916188430 654087234 /nfs/dbraw/zinc/08/72/34/654087234.db2.gz SHHWTBCVZKGXGT-UHFFFAOYSA-N -1 0 376.799 2.437 20 5 GEBDRM CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000850737748 654103557 /nfs/dbraw/zinc/10/35/57/654103557.db2.gz ZOOFOUFCSJFKAR-VHSXEESVSA-N -1 0 376.818 2.177 20 5 GEBDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000850802115 654107210 /nfs/dbraw/zinc/10/72/10/654107210.db2.gz VVIVCIVGGMVFOF-CYBMUJFWSA-N -1 0 377.350 2.226 20 5 GEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(N2CCCC2)c1 ZINC000850839046 654109337 /nfs/dbraw/zinc/10/93/37/654109337.db2.gz ZIBIIBNUPZISKD-UHFFFAOYSA-N -1 0 381.435 2.375 20 5 GEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000850859013 654110415 /nfs/dbraw/zinc/11/04/15/654110415.db2.gz JNKZCOKWNPNVOR-UHFFFAOYSA-N -1 0 395.771 2.071 20 5 GEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000800382228 654142365 /nfs/dbraw/zinc/14/23/65/654142365.db2.gz DBJZZXBXBBJEMN-VIFPVBQESA-N -1 0 378.353 2.234 20 5 GEBDRM CSc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000831158982 654167954 /nfs/dbraw/zinc/16/79/54/654167954.db2.gz SZHCFDORMRICAJ-UHFFFAOYSA-N -1 0 377.344 2.067 20 5 GEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000852912593 654268515 /nfs/dbraw/zinc/26/85/15/654268515.db2.gz UVDPDUGNRRYDBF-RKDXNWHRSA-N -1 0 378.353 2.281 20 5 GEBDRM CCc1ncc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC000832494345 654269941 /nfs/dbraw/zinc/26/99/41/654269941.db2.gz KYXITEQDOJKWPS-UHFFFAOYSA-N -1 0 390.215 2.386 20 5 GEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1C(C)C ZINC000835029919 654357614 /nfs/dbraw/zinc/35/76/14/654357614.db2.gz XTZDPFAQDDLDKE-UHFFFAOYSA-N -1 0 386.817 2.453 20 5 GEBDRM Cc1cnc(CCCC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000835110677 654361853 /nfs/dbraw/zinc/36/18/53/654361853.db2.gz WLZUZZOFOKLEDO-UHFFFAOYSA-N -1 0 387.801 2.372 20 5 GEBDRM C[C@H](OCCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835157610 654366510 /nfs/dbraw/zinc/36/65/10/654366510.db2.gz YRNAWFFTXGZZHG-NSHDSACASA-N -1 0 384.435 2.109 20 5 GEBDRM CC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br ZINC000835199348 654370562 /nfs/dbraw/zinc/37/05/62/654370562.db2.gz WHYZBKXBBHYVMK-DAXSKMNVSA-N -1 0 392.231 2.101 20 5 GEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000916105896 654888615 /nfs/dbraw/zinc/88/86/15/654888615.db2.gz TXUPYNJZYWGYNC-UHFFFAOYSA-N -1 0 392.361 2.392 20 5 GEBDRM